#------------------------------------------------------------------------------
#$Date: 2024-04-05 01:47:06 +0300 (Fri, 05 Apr 2024) $
#$Revision: 290842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/08/1570864.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1570864
loop_
_publ_author_name
'Eren, Noga'
'Fadaei-Tirani, Farzaneh'
'Scopelliti, Rosario'
'Severin, Kay'
_publ_section_title
;
 Molecular imine cages with π-basic Au₃(pyrazolate)
 faces.
;
_journal_issue                   10
_journal_name_full               'Chemical science'
_journal_page_first              3539
_journal_page_last               3544
_journal_paper_doi               10.1039/d3sc06280e
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C216 H276 Au12 N40, 2(C Cl3 D), C60, 2[CDCl3]'
_chemical_formula_sum            'C280 H276 Au12 Cl12 D4 N40'
_chemical_formula_weight         6998.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-10-09
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2023-11-22 deposited with the CCDC.	2024-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                91.9058(7)
_cell_angle_beta                 104.0920(8)
_cell_angle_gamma                94.9457(7)
_cell_formula_units_Z            2
_cell_length_a                   22.16590(19)
_cell_length_b                   24.2178(2)
_cell_length_c                   26.9851(2)
_cell_measurement_reflns_used    93630
_cell_measurement_temperature    140.15
_cell_measurement_theta_max      74.0180
_cell_measurement_theta_min      2.5520
_cell_volume                     13975.5(2)
_computing_cell_refinement       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.89a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      140.15
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     41.00  67.00   0.50    0.20    --   78.10-125.00-150.00   52
  2  ω     35.00  91.00   0.50    0.20    --   66.21-125.00 -30.00  112
  3  ω     38.00  95.00   0.50    0.20    --   69.48-125.00   0.00  114
  4  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 -30.00   50
  5  ω     79.00 104.00   0.50    0.20    --   78.10-125.00  30.00   50
  6  ω     80.00 105.00   0.50    0.20    --   78.10-125.00  90.00   50
  7  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 120.00   50
  8  ω     37.00  71.00   0.50    0.20    --   78.10-125.00 150.00   68
  9  ω     48.00  73.00   0.50    0.20    --   78.10-125.00 120.00   50
 10  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 150.00   50
 11  ω     44.00  71.00   0.50    0.20    --   78.10-125.00  90.00   54
 12  ω     41.00  67.00   0.50    0.20    --   74.78-117.00 -18.06   52
 13  ω     80.00 105.00   0.50    0.20    --   78.10-125.00 -60.00   50
 14  ω     54.00 105.00   0.50    0.20    --   78.10-125.00-120.00  102
 15  ω     80.00 105.00   0.50    0.20    --   78.10-125.00-150.00   50
 16  ω     33.00  63.00   0.50    0.20    --   69.48 -95.00 -90.00   60
 17  ω     28.00  55.00   0.50    0.20    --   66.21 -95.00   0.00   54
 18  ω     35.00  76.00   0.50    0.20    --   69.48 -95.00  30.00   82
 19  ω     44.00  75.00   0.50    0.20    --   66.21 -95.00  60.00   62
 20  ω     37.00  69.00   0.50    0.20    --   66.21 -95.00 150.00   64
 21  ω     42.00  78.00   0.50    0.20    --   69.48 -95.00 120.00   72
 22  ω     35.00  64.00   0.50    0.20    --   69.48 -95.00  90.00   58
 23  ω     28.00  53.00   0.50    0.20    --   66.21 -95.00-120.00   50
 24  ω     34.00  62.00   0.50    0.20    --   69.48 -95.00-180.00   56
 25  ω     52.00 121.00   0.50    0.20    --   78.10  15.00-150.00  138
 26  ω     61.00 123.00   0.50    0.20    --   78.10  15.00 -90.00  124
 27  ω     54.00  80.00   0.50    0.20    --   69.48  15.00  30.00   52
 28  ω     81.00 106.00   0.50    0.20    --   69.48  15.00  30.00   50
 29  ω     61.00 123.00   0.50    0.20    --   78.10  15.00   0.00  124
 30  ω     61.00  98.00   0.50    0.20    --   78.10  15.00 -30.00   74
 31  ω     49.00 106.00   0.50    0.20    --   78.10  15.00  90.00  114
 32  ω     55.00 107.00   0.50    0.20    --   66.21  15.00 120.00  104
 33  ω    -91.00 -45.00   0.50    0.20    --  -66.84 -15.00  60.00   92
 34  ω   -103.00 -73.00   0.50    0.20    --  -69.31   0.00  90.00   60
 35  ω   -103.00 -72.00   0.50    0.20    --  -66.84   0.00   0.00   62
 36  ω   -106.00 -75.00   0.50    0.20    --  -69.31   0.00-120.00   62
 37  ω   -103.00 -74.00   0.50    0.20    --  -66.84   0.00-150.00   58
 38  ω   -107.00 -72.00   0.50    0.20    --  -69.31   0.00 -60.00   70
 39  ω   -105.00 -72.00   0.50    0.20    --  -69.31   0.00 150.00   66
 40  ω    -66.00 -38.00   0.50    0.20    --  -74.78 145.00  38.83   56
 41  ω   -112.00 -43.00   0.50    0.20    --  -74.78 140.00 114.13  138
 42  ω   -114.00 -87.00   0.50    0.20    --  -74.78 145.00  38.83   54
 43  ω   -112.00 -49.00   0.50    0.20    --  -74.78 140.00 -59.94  126
 44  ω   -112.00 -51.00   0.50    0.20    --  -74.78 142.00-172.76  122
 45  ω    -87.00 -31.00   0.50    0.20    --  -69.31 125.00-180.00  112
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0396861000
_diffrn_orient_matrix_UB_12      -0.0476195000
_diffrn_orient_matrix_UB_13      0.0196454000
_diffrn_orient_matrix_UB_21      -0.0318717000
_diffrn_orient_matrix_UB_22      -0.0057748000
_diffrn_orient_matrix_UB_23      0.0445729000
_diffrn_orient_matrix_UB_31      -0.0509227000
_diffrn_orient_matrix_UB_32      -0.0422943000
_diffrn_orient_matrix_UB_33      -0.0332092000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0394
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            204256
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.971
_diffrn_reflns_theta_min         2.323
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    13.022
_exptl_absorpt_correction_T_max  0.599
_exptl_absorpt_correction_T_min  0.009
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.89a (Rigaku Oxford Diffraction, 2023)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear intense red'
_exptl_crystal_density_diffrn    1.663
_exptl_crystal_description       plate
_exptl_crystal_F_000             6784
_exptl_crystal_size_max          0.66
_exptl_crystal_size_mid          0.489
_exptl_crystal_size_min          0.203
_refine_diff_density_max         2.366
_refine_diff_density_min         -2.133
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3131
_refine_ls_number_reflns         54774
_refine_ls_number_restraints     7430
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0941P)²+48.5570P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1644
_refine_ls_wR_factor_ref         0.1693
_reflns_Friedel_coverage         0.000
_reflns_number_gt                46601
_reflns_number_total             54774
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc06280e2.cif
_cod_data_source_block           ne0253
_cod_depositor_comments
'Adding full bibliography for 1570859--1570865.cif.'
_cod_database_code               1570864
_shelx_shelxl_version_number     2019/3
_chemical_oxdiff_formula         'C300 H300 N40 Au12'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.177
_shelx_estimated_absorpt_t_min   0.042
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C204-C205
 1.5 with sigma of 0.02
 C119-C118 = C120-C118
 1.54 with sigma of 0.02
 N34-C204 = N31-C181 = N33-C186
 1.28 with sigma of 0.02
 C120-C119
 2.5 with sigma of 0.02
 C187-C186
 1.5 with sigma of 0.01
 C11-C10
 2.5 with sigma of 0.02
 C346-C336 \\sim C338-C336 \\sim C336-C326 \\sim C326-C318 \\sim C328-C318
\\sim C338-C328 \\sim C348-
 C338 \\sim C356-C348 \\sim C348-C343 \\sim C343-C333 \\sim C333-C323 \\sim
C328-C323 \\sim C315-C307 ~
 C323-C315 \\sim C324-C315 \\sim C334-C324 \\sim C344-C334 \\sim C334-C333
\\sim C351-C343 \\sim C352-
 C351 \\sim C352-C344 \\sim C353-C352 \\sim C353-C345 \\sim C345-C335 \\sim
C335-C325 \\sim C342-C332 ~
 C332-C322 \\sim C332-C321 \\sim C331-C321 \\sim C321-C313 \\sim C313-C306
\\sim C313-C311 \\sim C319-
 C311 \\sim C329-C319 \\sim C331-C329 \\sim C339-C329 \\sim C341-C331 \\sim
C350-C341 \\sim C342-C341 ~
 C358-C353 \\sim C360-C358 \\sim C360-C357 \\sim C360-C359 \\sim C359-C351
\\sim C330-C319 \\sim C340-
 C330 \\sim C357-C349 \\sim C350-C349 \\sim C358-C350 \\sim C314-C306 \\sim
C306-C303 \\sim C303-C301 ~
 C312-C301 \\sim C320-C312 \\sim C347-C340 \\sim C355-C347 \\sim C347-C337
\\sim C346-C337 \\sim C355-
 C354 \\sim C354-C346 \\sim C356-C354 \\sim C357-C355 \\sim C309-C305 \\sim
C312-C309 \\sim C359-C356 ~
 C310-C305 \\sim C305-C302 \\sim C304-C302 \\sim C303-C302 \\sim C349-C339
\\sim C340-C339 \\sim C330-
 C320 \\sim C327-C320 \\sim C337-C327 \\sim C327-C317 \\sim C317-C309 \\sim
C326-C317 \\sim C318-C310 ~
 C310-C307 \\sim C307-C304 \\sim C308-C304 \\sim C314-C308 \\sim C322-C314
\\sim C325-C322 \\sim C316-
 C308 \\sim C325-C316 \\sim C324-C316 \\sim C344-C335 \\sim C345-C342 \\sim
C311-C301
 with sigma of 0.01
 C8-C4 \\sim C5-C4 \\sim C6-C4 \\sim C7-C4 \\sim C9-C10 \\sim C9-C12
 with sigma of 0.02
 C5-C6 \\sim C8-C7
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C57) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C171) \\sim Ueq, Uanis(C186) \\sim Ueq, Uanis(Au16) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C119) \\sim Ueq, Uanis(Cl4) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(Au18) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(H4B)=Sof(C7)=Sof(H7A)=Sof(H7B)=Sof(H7C)=Sof(C8)=Sof(H8A)=Sof(H8B)=
 Sof(H8C)=1-FVAR(1)
 Sof(H4A)=Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=Sof(C6)=Sof(H6A)=Sof(H6B)=
 Sof(H6C)=FVAR(1)
 Sof(H9B)=Sof(C12)=Sof(H12A)=Sof(H12B)=Sof(H12C)=1-FVAR(2)
 Sof(H9A)=Sof(C10)=Sof(H10A)=Sof(H10B)=Sof(H10C)=FVAR(2)
 Sof(Au14)=Sof(Au15)=Sof(Au13)=1-FVAR(3)
 Sof(Au7)=Sof(Au8)=Sof(Au9)=FVAR(3)
 Sof(Au17)=Sof(Au16)=Sof(Au18)=1-FVAR(4)
 Sof(Au10)=Sof(Au11)=Sof(Au12)=FVAR(4)
 Sof(Au19)=Sof(Au20)=Sof(Au21)=1-FVAR(5)
 Sof(Au4)=Sof(Au5)=Sof(Au6)=FVAR(5)
 Sof(Au22)=Sof(Au23)=Sof(Au24)=1-FVAR(6)
 Sof(Au1)=Sof(Au2)=Sof(Au3)=FVAR(6)
6.a Ternary CH refined with riding coordinates:
 C4(H4A), C4(H4B), C9(H9A), C9(H9B), C34(H34), C38(H38), C52(H52), C55(H55),
 C61(H61), C64(H64), C88(H88), C91(H91), C106(H106), C109(H109), C115(H115),
 C118(H118), C142(H142), C145(H145), C160(H160), C163(H163), C169(H169),
 C172(H172), C196(H196), C199(H199), C214(H214), C217(H217), C361(D361),
 C362(D362)
6.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C23(H23A,H23B), C40(H40A,
 H40B), C41(H41A,H41B), C74(H74A,H74B), C75(H75A,H75B), C76(H76A,H76B),
 C77(H77A,H77B), C94(H94A,H94B), C95(H95A,H95B), C128(H12G,H12H), C129(H12I,
 H12J), C130(H13A,H13B), C131(H13C,H13D), C148(H14M,H14N), C149(H14O,H14P),
 C182(H18A,H18B), C183(H18C,H18D), C184(H18E,H18F), C185(H18G,H18H), C202(H20I,
 H20J), C203(H20K,H20L)
6.c Me refined with riding coordinates:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
6.d Aromatic/amide H refined with riding coordinates:
 C18(H18), C17(H17), C15(H15), C14(H14), C19(H19), C24(H24), C27(H27),
 C26(H26), C30(H30), C29(H29), C42(H42), C300(H300), C48(H48), C44(H44),
 C45(H45), C68(H68), C69(H69), C71(H71), C72(H72), C73(H73), C78(H78), C80(H80),
  C81(H81), C83(H83), C84(H84), C96(H96), C98(H98), C99(H99), C101(H101),
 C102(H102), C126(H126), C125(H125), C123(H123), C122(H122), C127(H127),
 C132(H132), C134(H134), C135(H135), C137(H137), C138(H138), C150(H150),
 C152(H152), C153(H153), C155(H155), C156(H156), C180(H180), C179(H179),
 C177(H177), C176(H176), C181(H181), C186(H186), C191(H191), C192(H192),
 C188(H188), C189(H189), C204(H204), C209(H209), C210(H210), C206(H206),
 C207(H207)
6.e Fitted hexagon refined as free rotating group:
 C13(C18,C17,C16,C15,C14), C28(C27,C26,C25,C30,C29), C46(C300,C48,C43,C44,C45),
  C121(C126,C125,C124,C123,C122), C175(C180,C179,C178,C177,C176), C190(C191,
 C192,C187,C188,C189), C208(C209,C210,C205,C206,C207)
6.f Idealised Me refined as rotating group:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C12(H12A,
 H12B,H12C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C37(H37A,H37B,H37C),
 C39(H39A,H39B,H39C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C56(H56A,H56B,
 H56C), C57(H57A,H57B,H57C), C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C65(H65A,
 H65B,H65C), C66(H66A,H66B,H66C), C89(H89A,H89B,H89C), C90(H90A,H90B,H90C),
 C92(H92A,H92B,H92C), C93(H93A,H93B,H93C), C107(H10D,H10E,H10F), C108(H10G,H10H,
 H10I), C110(H11D,H11E,H11F), C111(H11G,H11H,H11I), C116(H11J,H11K,H11L),
 C117(H11M,H11N,H11O), C119(H11P,H11Q,H11R), C120(H12D,H12E,H12F), C143(H14A,
 H14B,H14C), C144(H14D,H14E,H14F), C146(H14G,H14H,H14I), C147(H14J,H14K,H14L),
 C161(H16A,H16B,H16C), C162(H16D,H16E,H16F), C164(H16G,H16H,H16I), C165(H16J,
 H16K,H16L), C170(H17A,H17B,H17C), C171(H17D,H17E,H17F), C173(H17G,H17H,H17I),
 C174(H17J,H17K,H17L), C197(H19A,H19B,H19C), C198(H19D,H19E,H19F), C200(H20C,
 H20D,H20E), C201(H20F,H20G,H20H), C215(H21C,H21D,H21E), C216(H21F,H21G,H21H),
 C218(H21I,H21J,H21K), C219(H21L,H21M,H21N)
;
_smtbx_masks_special_details
;
A solvent mask was calculated and 618 electrons were 
found in a volume of 2598Å³ in 5 voids per unit cell. 
This is consistent with the presence of 
2[CDCl3] per Asymmetric Unit 
which account for 652 electrons 
per unit cell.
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 3.321
_oxdiff_exptl_absorpt_empirical_full_min 0.475
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.43260(5) 0.60759(6) 0.36334(6) 0.0485(6) Uani 0.602(19) 1 d . . P A 1
Au2 Au 0.49816(5) 0.70107(6) 0.45962(6) 0.0497(6) Uani 0.602(19) 1 d . . P A 1
Au3 Au 0.54736(5) 0.57555(6) 0.46105(6) 0.0471(6) Uani 0.602(19) 1 d . . P A 1
Au4 Au 0.50488(6) 0.71613(5) 0.07462(6) 0.0347(6) Uani 0.513(19) 1 d . . P B 1
Au5 Au 0.61851(5) 0.81411(5) 0.07125(6) 0.0337(7) Uani 0.513(19) 1 d . . P B 1
Au6 Au 0.63840(4) 0.67903(5) 0.05472(5) 0.0331(7) Uani 0.513(19) 1 d . . P B 1
Au7 Au 0.78751(4) 0.99927(4) 0.31432(4) 0.0471(4) Uani 0.717(10) 1 d . . P C 1
Au8 Au 0.78804(4) 0.96970(4) 0.43510(4) 0.0473(4) Uani 0.717(10) 1 d . . P C 1
Au9 Au 0.91393(4) 0.95369(4) 0.39032(4) 0.0457(4) Uani 0.717(10) 1 d . . P C 1
Au10 Au 0.93051(4) 0.54862(4) 0.24209(4) 0.0582(3) Uani 0.783(6) 1 d . . P D 1
Au11 Au 0.99146(5) 0.62185(3) 0.35232(4) 0.0578(3) Uani 0.783(6) 1 d . . P D 1
Au12 Au 0.89277(4) 0.50669(4) 0.34706(4) 0.0537(3) Uani 0.783(6) 1 d . . P D 1
N1 N 0.4033(3) 0.6840(3) 0.3630(3) 0.0633(15) Uani 1 1 d . . . . .
N2 N 0.4291(4) 0.7214(3) 0.4020(3) 0.0649(16) Uani 1 1 d . . . . .
N3 N 0.5696(3) 0.6842(3) 0.5157(3) 0.0627(15) Uani 1 1 d . . . . .
N4 N 0.5902(3) 0.6318(3) 0.5162(3) 0.0623(15) Uani 1 1 d . . . . .
N5 N 0.5084(3) 0.5198(3) 0.4034(3) 0.0585(13) Uani 1 1 d . . . . .
N6 N 0.4637(3) 0.5336(3) 0.3632(3) 0.0604(14) Uani 1 1 d . . . . .
N7 N 0.4922(3) 0.7956(3) 0.0863(3) 0.0515(13) Uani 1 1 d . . . . .
N8 N 0.5394(3) 0.8366(3) 0.0849(2) 0.0498(12) Uani 1 1 d . . . . .
N9 N 0.6966(3) 0.7920(3) 0.0559(3) 0.0541(13) Uani 1 1 d . . . . .
N10 N 0.7011(3) 0.7373(3) 0.0422(3) 0.0563(14) Uani 1 1 d . . . . .
N11 N 0.5755(3) 0.6205(3) 0.0684(2) 0.0497(12) Uani 1 1 d . . . . .
N12 N 0.5169(3) 0.6361(3) 0.0685(2) 0.0477(12) Uani 1 1 d . . . . .
N13 N 0.7101(3) 1.0035(3) 0.3393(3) 0.0648(16) Uani 1 1 d . . . . .
N14 N 0.7114(3) 0.9965(3) 0.3887(3) 0.0621(15) Uani 1 1 d . . . . .
N15 N 0.8622(3) 0.9399(3) 0.4799(3) 0.0548(13) Uani 1 1 d . . . . .
N16 N 0.9111(3) 0.9293(3) 0.4601(3) 0.0563(13) Uani 1 1 d . . . . .
N17 N 0.9159(3) 0.9781(3) 0.3192(3) 0.0637(15) Uani 1 1 d . . . . .
N18 N 0.8647(3) 0.9962(3) 0.2892(3) 0.0590(14) Uani 1 1 d . . . . .
N19 N 0.2155(5) 0.9621(4) 0.2257(4) 0.109(3) Uani 1 1 d . . . . .
N20 N 0.2259(3) 1.0904(3) 0.2175(3) 0.0670(14) Uani 1 1 d . . . . .
N21 N 0.2939(4) 1.0825(3) 0.1283(3) 0.0695(18) Uani 1 1 d . . . . .
N22 N 0.3401(4) 1.1083(4) 0.3121(4) 0.083(2) Uani 1 1 d . . . . .
N23 N 0.8869(4) 0.7567(4) 0.7791(3) 0.0743(19) Uani 1 1 d . . . . .
N24 N 1.0196(4) 0.7170(4) 0.8145(3) 0.0718(16) Uani 1 1 d . . . . .
N25 N 1.0812(4) 0.7849(4) 0.7414(3) 0.088(2) Uani 1 1 d . . . . .
N26 N 0.9776(5) 0.6129(4) 0.7390(4) 0.088(2) Uani 1 1 d . . . . .
N27 N 0.4980(4) 0.2126(4) 0.2265(4) 0.081(2) Uani 1 1 d . . . . .
N28 N 0.4721(4) 0.1792(3) 0.1084(3) 0.0679(15) Uani 1 1 d . . . . .
N29 N 0.5862(4) 0.2324(4) 0.0671(3) 0.0728(18) Uani 1 1 d . . . . .
N30 N 0.4118(3) 0.2857(3) 0.0849(3) 0.0703(18) Uani 1 1 d . . . . .
N31 N 1.0387(4) 0.8490(4) -0.0465(3) 0.0755(19) Uani 1 1 d D . . . .
N32 N 1.1553(3) 0.9254(3) 0.0108(3) 0.0639(14) Uani 1 1 d . . . . .
N33 N 1.0800(4) 1.0139(5) 0.0577(4) 0.092(2) Uani 1 1 d D . . . .
N34 N 1.2033(5) 0.8525(5) 0.1057(4) 0.101(3) Uani 1 1 d D . . . .
N35 N 0.9939(4) 0.6135(4) 0.2461(4) 0.0766(18) Uani 1 1 d . . . . .
N36 N 0.9635(4) 0.6005(3) 0.4152(4) 0.0743(18) Uani 1 1 d . . . . .
N37 N 0.8646(3) 0.4862(3) 0.2376(3) 0.0729(17) Uani 1 1 d . . . . .
N38 N 0.8522(3) 0.4660(3) 0.2814(3) 0.0709(16) Uani 1 1 d . . . . .
N39 N 0.9288(4) 0.5509(3) 0.4146(4) 0.0710(16) Uani 1 1 d . . . . .
N40 N 1.0189(4) 0.6437(4) 0.2903(4) 0.0780(19) Uani 1 1 d . . . . .
C1 C 0.3624(4) 0.7085(4) 0.3276(4) 0.0716(19) Uani 1 1 d . . . . .
C2 C 0.3606(4) 0.7622(4) 0.3445(4) 0.0688(17) Uani 1 1 d . . . . .
C3 C 0.4048(5) 0.7693(4) 0.3919(4) 0.072(2) Uani 1 1 d . . . . .
C4 C 0.3259(5) 0.6776(5) 0.2784(4) 0.084(2) Uani 1 1 d D . . . .
H4A H 0.342013 0.640295 0.282289 0.101 Uiso 0.53(3) 1 calc R U P E 1
H4B H 0.298346 0.705471 0.260989 0.101 Uiso 0.47(3) 1 calc R U P E 2
C5 C 0.3370(12) 0.6925(12) 0.2270(7) 0.096(7) Uani 0.53(3) 1 d D . P E 1
H5A H 0.315147 0.724992 0.215297 0.145 Uiso 0.53(3) 1 calc R U P E 1
H5B H 0.321143 0.661114 0.202014 0.145 Uiso 0.53(3) 1 calc R U P E 1
H5C H 0.381904 0.701074 0.230412 0.145 Uiso 0.53(3) 1 calc R U P E 1
C6 C 0.2567(8) 0.6634(14) 0.2762(9) 0.100(8) Uani 0.53(3) 1 d D . P E 1
H6A H 0.252355 0.650697 0.309347 0.150 Uiso 0.53(3) 1 calc R U P E 1
H6B H 0.239039 0.633898 0.249539 0.150 Uiso 0.53(3) 1 calc R U P E 1
H6C H 0.234345 0.696443 0.268215 0.150 Uiso 0.53(3) 1 calc R U P E 1
C7 C 0.2807(12) 0.6314(10) 0.2858(12) 0.097(7) Uani 0.47(3) 1 d D . P E 2
H7A H 0.303552 0.602875 0.305054 0.145 Uiso 0.47(3) 1 calc R U P E 2
H7B H 0.256367 0.615298 0.252420 0.145 Uiso 0.47(3) 1 calc R U P E 2
H7C H 0.252474 0.645747 0.304943 0.145 Uiso 0.47(3) 1 calc R U P E 2
C8 C 0.3666(11) 0.6680(12) 0.2429(9) 0.090(6) Uani 0.47(3) 1 d D . P E 2
H8A H 0.390826 0.702875 0.239604 0.134 Uiso 0.47(3) 1 calc R U P E 2
H8B H 0.340547 0.654350 0.209200 0.134 Uiso 0.47(3) 1 calc R U P E 2
H8C H 0.395186 0.640356 0.256564 0.134 Uiso 0.47(3) 1 calc R U P E 2
C9 C 0.4229(6) 0.8175(5) 0.4314(5) 0.094(3) Uani 1 1 d D . . . .
H9A H 0.453660 0.806174 0.462128 0.113 Uiso 0.43(4) 1 calc R U P F 1
H9B H 0.464108 0.804744 0.448906 0.113 Uiso 0.57(4) 1 calc R U P F 2
C10 C 0.3632(14) 0.8322(14) 0.4469(19) 0.127(10) Uani 0.43(4) 1 d D . P F 1
H10A H 0.344197 0.799455 0.459764 0.190 Uiso 0.43(4) 1 calc R U P F 1
H10B H 0.374218 0.862233 0.473671 0.190 Uiso 0.43(4) 1 calc R U P F 1
H10C H 0.333493 0.844249 0.416969 0.190 Uiso 0.43(4) 1 calc R U P F 1
C11 C 0.4499(9) 0.8684(7) 0.4121(7) 0.153(6) Uani 1 1 d D . . . .
H11A H 0.464663 0.858324 0.381887 0.229 Uiso 1 1 calc R U . . .
H11B H 0.417867 0.894222 0.402869 0.229 Uiso 1 1 calc R U . . .
H11C H 0.485087 0.886087 0.438868 0.229 Uiso 1 1 calc R U . . .
C12 C 0.3945(17) 0.8109(12) 0.4761(10) 0.118(10) Uani 0.57(4) 1 d D . P F 2
H12A H 0.359736 0.834070 0.472523 0.178 Uiso 0.57(4) 1 calc R U P F 2
H12B H 0.426207 0.822504 0.507788 0.178 Uiso 0.57(4) 1 calc R U P F 2
H12C H 0.379112 0.771955 0.477250 0.178 Uiso 0.57(4) 1 calc R U P F 2
C13 C 0.3229(3) 0.8055(3) 0.3171(3) 0.074(2) Uani 1 1 d G . . . .
C18 C 0.3453(3) 0.8401(3) 0.2841(3) 0.084(3) Uani 1 1 d G . . . .
H18 H 0.385339 0.836424 0.278183 0.101 Uiso 1 1 calc R U . . .
C17 C 0.3091(4) 0.8801(3) 0.2597(3) 0.098(3) Uani 1 1 d G . . . .
H17 H 0.324368 0.903684 0.237173 0.117 Uiso 1 1 calc R U . . .
C16 C 0.2505(4) 0.8854(3) 0.2683(3) 0.105(3) Uani 1 1 d G . . . .
C15 C 0.2281(3) 0.8509(4) 0.3013(4) 0.140(6) Uani 1 1 d G . . . .
H15 H 0.188082 0.854557 0.307233 0.168 Uiso 1 1 calc R U . . .
C14 C 0.2643(4) 0.8109(4) 0.3257(3) 0.119(5) Uani 1 1 d G . . . .
H14 H 0.249051 0.787297 0.348243 0.143 Uiso 1 1 calc R U . . .
C19 C 0.2053(8) 0.9254(6) 0.2427(6) 0.116(4) Uani 1 1 d . . . . .
H19 H 0.162584 0.916028 0.241935 0.140 Uiso 1 1 calc R U . . .
C20 C 0.1680(5) 0.9968(4) 0.1981(4) 0.077(2) Uani 1 1 d . . . . .
H20A H 0.125880 0.977693 0.195297 0.093 Uiso 1 1 calc R U . . .
H20B H 0.173298 1.001072 0.163023 0.093 Uiso 1 1 calc R U . . .
C21 C 0.1722(4) 1.0536(4) 0.2242(4) 0.0716(18) Uani 1 1 d . . . . .
H21A H 0.133192 1.070793 0.210171 0.086 Uiso 1 1 calc R U . . .
H21B H 0.176085 1.049561 0.261241 0.086 Uiso 1 1 calc R U . . .
C22 C 0.2103(4) 1.1129(4) 0.1668(4) 0.0681(18) Uani 1 1 d . . . . .
H22A H 0.186715 1.145607 0.168074 0.082 Uiso 1 1 calc R U . . .
H22B H 0.183039 1.084568 0.142171 0.082 Uiso 1 1 calc R U . . .
C23 C 0.2690(5) 1.1300(4) 0.1480(5) 0.077(2) Uani 1 1 d . . . . .
H23A H 0.258570 1.156457 0.120713 0.092 Uiso 1 1 calc R U . . .
H23B H 0.301463 1.149265 0.176683 0.092 Uiso 1 1 calc R U . . .
C24 C 0.3325(4) 1.0583(3) 0.1598(4) 0.0599(16) Uani 1 1 d . . . . .
H24 H 0.342545 1.070641 0.194919 0.072 Uiso 1 1 calc R U . . .
C28 C 0.4233(2) 0.92223(19) 0.1168(2) 0.0554(14) Uani 1 1 d G . . . .
C27 C 0.3909(2) 0.9540(2) 0.07917(16) 0.0592(16) Uani 1 1 d G . . . .
H27 H 0.389185 0.945598 0.044202 0.071 Uiso 1 1 calc R U . . .
C26 C 0.3609(2) 0.9982(2) 0.09272(19) 0.0610(16) Uani 1 1 d G . . . .
H26 H 0.338716 1.019887 0.067004 0.073 Uiso 1 1 calc R U . . .
C25 C 0.3633(2) 1.01049(19) 0.1439(2) 0.0584(15) Uani 1 1 d G . . . .
C30 C 0.3957(3) 0.9787(2) 0.18151(16) 0.0663(19) Uani 1 1 d G . . . .
H30 H 0.397390 0.987128 0.216478 0.080 Uiso 1 1 calc R U . . .
C29 C 0.4257(3) 0.9346(2) 0.16796(19) 0.0640(18) Uani 1 1 d G . . . .
H29 H 0.447860 0.912838 0.193677 0.077 Uiso 1 1 calc R U . . .
C31 C 0.4589(3) 0.8769(3) 0.1026(3) 0.0543(15) Uani 1 1 d . . . . .
C32 C 0.5187(3) 0.8856(3) 0.0935(3) 0.0520(14) Uani 1 1 d . . . . .
C33 C 0.4443(4) 0.8202(3) 0.0969(3) 0.0556(16) Uani 1 1 d . . . . .
C34 C 0.3845(4) 0.7844(4) 0.0958(4) 0.0698(19) Uani 1 1 d . . . . .
H34 H 0.393799 0.744787 0.094965 0.084 Uiso 1 1 calc R U . . .
C35 C 0.3631(6) 0.7958(5) 0.1449(5) 0.098(3) Uani 1 1 d . . . . .
H35A H 0.394907 0.785941 0.174537 0.147 Uiso 1 1 calc R U . . .
H35B H 0.323548 0.773431 0.143065 0.147 Uiso 1 1 calc R U . . .
H35C H 0.357264 0.835251 0.148398 0.147 Uiso 1 1 calc R U . . .
C36 C 0.3346(5) 0.7921(5) 0.0483(5) 0.094(3) Uani 1 1 d . . . . .
H36A H 0.338642 0.830722 0.038754 0.140 Uiso 1 1 calc R U . . .
H36B H 0.293316 0.783306 0.054788 0.140 Uiso 1 1 calc R U . . .
H36C H 0.339276 0.767345 0.020268 0.140 Uiso 1 1 calc R U . . .
C37 C 0.6203(4) 0.9433(4) 0.1325(4) 0.074(2) Uani 1 1 d . . . . .
H37A H 0.615865 0.929491 0.165272 0.111 Uiso 1 1 calc R U . . .
H37B H 0.639211 0.981822 0.137773 0.111 Uiso 1 1 calc R U . . .
H37C H 0.647044 0.920291 0.118394 0.111 Uiso 1 1 calc R U . . .
C38 C 0.5563(4) 0.9408(4) 0.0953(4) 0.0622(17) Uani 1 1 d . . . . .
H38 H 0.532800 0.969700 0.107484 0.075 Uiso 1 1 calc R U . . .
C39 C 0.5616(5) 0.9545(4) 0.0410(4) 0.083(3) Uani 1 1 d . . . . .
H39A H 0.578905 0.923995 0.026065 0.124 Uiso 1 1 calc R U . . .
H39B H 0.589221 0.988782 0.042929 0.124 Uiso 1 1 calc R U . . .
H39C H 0.520089 0.959483 0.019594 0.124 Uiso 1 1 calc R U . . .
C40 C 0.2413(4) 1.1346(4) 0.2566(4) 0.075(2) Uani 1 1 d . . . . .
H40A H 0.202444 1.150287 0.259467 0.090 Uiso 1 1 calc R U . . .
H40B H 0.268397 1.164402 0.246275 0.090 Uiso 1 1 calc R U . . .
C41 C 0.2754(4) 1.1160(5) 0.3101(4) 0.085(3) Uani 1 1 d . . . . .
H41A H 0.273681 1.144482 0.336834 0.103 Uiso 1 1 calc R U . . .
H41B H 0.253756 1.080793 0.317278 0.103 Uiso 1 1 calc R U . . .
C42 C 0.3586(4) 1.0620(5) 0.3193(4) 0.077(2) Uani 1 1 d . . . . .
H42 H 0.328785 1.031936 0.320773 0.093 Uiso 1 1 calc R U . . .
C46 C 0.54839(19) 1.0269(3) 0.3420(3) 0.0695(19) Uani 1 1 d G . . . .
C300 C 0.5334(2) 1.0813(2) 0.3360(3) 0.074(2) Uani 1 1 d G . . . .
H300 H 0.565436 1.110439 0.337427 0.089 Uiso 1 1 calc R U . . .
C48 C 0.4716(3) 1.0930(2) 0.3278(3) 0.072(2) Uani 1 1 d G . . . .
H48 H 0.461319 1.130101 0.323753 0.087 Uiso 1 1 calc R U . . .
C43 C 0.42469(19) 1.0503(3) 0.3257(3) 0.074(2) Uani 1 1 d G . . . .
C44 C 0.4397(2) 0.9959(2) 0.3317(3) 0.081(3) Uani 1 1 d G . . . .
H44 H 0.407640 0.966781 0.330247 0.097 Uiso 1 1 calc R U . . .
C45 C 0.5015(3) 0.9843(2) 0.3398(3) 0.080(3) Uani 1 1 d G . . . .
H45 H 0.511757 0.947117 0.343921 0.096 Uiso 1 1 calc R U . . .
C49 C 0.6158(4) 1.0150(4) 0.3513(4) 0.0668(18) Uani 1 1 d . . . . .
C50 C 0.6551(4) 1.0027(4) 0.3973(4) 0.0657(17) Uani 1 1 d . . . . .
C51 C 0.6517(4) 1.0147(4) 0.3155(4) 0.0655(18) Uani 1 1 d . . . . .
C52 C 0.6431(5) 0.9958(6) 0.4499(4) 0.086(2) Uani 1 1 d . . . . .
H52 H 0.685323 0.999217 0.474345 0.103 Uiso 1 1 calc R U . . .
C53 C 0.6142(8) 0.9386(7) 0.4552(6) 0.118(4) Uani 1 1 d . . . . .
H53A H 0.571295 0.933567 0.433726 0.177 Uiso 1 1 calc R U . . .
H53B H 0.613667 0.933832 0.490983 0.177 Uiso 1 1 calc R U . . .
H53C H 0.638723 0.910906 0.444165 0.177 Uiso 1 1 calc R U . . .
C54 C 0.6099(10) 1.0429(7) 0.4658(6) 0.143(6) Uani 1 1 d . . . . .
H54A H 0.637052 1.077698 0.469558 0.215 Uiso 1 1 calc R U . . .
H54B H 0.599953 1.035368 0.498561 0.215 Uiso 1 1 calc R U . . .
H54C H 0.571187 1.046072 0.439678 0.215 Uiso 1 1 calc R U . . .
C55 C 0.6371(5) 1.0257(5) 0.2598(4) 0.083(2) Uani 1 1 d . . . . .
H55 H 0.664643 1.003968 0.244024 0.100 Uiso 1 1 calc R U . . .
C56 C 0.5707(5) 1.0069(6) 0.2322(4) 0.096(3) Uani 1 1 d . . . . .
H56A H 0.562595 0.966822 0.235101 0.144 Uiso 1 1 calc R U . . .
H56B H 0.563976 1.014883 0.195986 0.144 Uiso 1 1 calc R U . . .
H56C H 0.542202 1.026557 0.247398 0.144 Uiso 1 1 calc R U . . .
C57 C 0.6541(6) 1.0874(6) 0.2529(6) 0.117(4) Uani 1 1 d . U . . .
H57A H 0.629277 1.110158 0.269418 0.176 Uiso 1 1 calc R U . . .
H57B H 0.645166 1.094016 0.216334 0.176 Uiso 1 1 calc R U . . .
H57C H 0.698633 1.097253 0.268575 0.176 Uiso 1 1 calc R U . . .
C58 C 0.6106(4) 0.7165(4) 0.5538(4) 0.0662(18) Uani 1 1 d . . . . .
C59 C 0.6573(4) 0.6850(4) 0.5777(4) 0.0643(17) Uani 1 1 d . . . . .
C60 C 0.6426(4) 0.6314(4) 0.5539(4) 0.0631(16) Uani 1 1 d . . . . .
C61 C 0.5999(5) 0.7757(4) 0.5678(4) 0.080(2) Uani 1 1 d . . . . .
H61 H 0.633413 0.788160 0.599263 0.096 Uiso 1 1 calc R U . . .
C62 C 0.5381(6) 0.7783(5) 0.5825(5) 0.093(3) Uani 1 1 d . . . . .
H62A H 0.503779 0.762819 0.553923 0.140 Uiso 1 1 calc R U . . .
H62B H 0.532473 0.817011 0.590398 0.140 Uiso 1 1 calc R U . . .
H62C H 0.538332 0.756722 0.612613 0.140 Uiso 1 1 calc R U . . .
C63 C 0.6080(6) 0.8148(5) 0.5280(5) 0.096(3) Uani 1 1 d . . . . .
H63A H 0.651227 0.816734 0.524874 0.144 Uiso 1 1 calc R U . . .
H63B H 0.598384 0.851756 0.537722 0.144 Uiso 1 1 calc R U . . .
H63C H 0.579588 0.801578 0.495072 0.144 Uiso 1 1 calc R U . . .
C64 C 0.6774(4) 0.5813(4) 0.5634(5) 0.076(2) Uani 1 1 d . . . . .
H64 H 0.710017 0.592031 0.595830 0.091 Uiso 1 1 calc R U . . .
C65 C 0.6373(5) 0.5328(4) 0.5781(4) 0.073(2) Uani 1 1 d . . . . .
H65A H 0.619900 0.545185 0.606161 0.109 Uiso 1 1 calc R U . . .
H65B H 0.663233 0.502466 0.589065 0.109 Uiso 1 1 calc R U . . .
H65C H 0.603189 0.519637 0.548446 0.109 Uiso 1 1 calc R U . . .
C66 C 0.7117(6) 0.5689(6) 0.5290(6) 0.109(4) Uani 1 1 d . . . . .
H66A H 0.683480 0.560261 0.495034 0.164 Uiso 1 1 calc R U . . .
H66B H 0.734546 0.536729 0.539888 0.164 Uiso 1 1 calc R U . . .
H66C H 0.741394 0.600829 0.527595 0.164 Uiso 1 1 calc R U . . .
C67 C 0.7141(4) 0.7056(4) 0.6185(4) 0.0657(18) Uani 1 1 d . . . . .
C68 C 0.7547(4) 0.7468(4) 0.6096(4) 0.073(2) Uani 1 1 d . . . . .
H68 H 0.745647 0.762758 0.577218 0.087 Uiso 1 1 calc R U . . .
C69 C 0.8092(4) 0.7668(4) 0.6457(4) 0.072(2) Uani 1 1 d . . . . .
H69 H 0.836474 0.795519 0.637500 0.086 Uiso 1 1 calc R U . . .
C70 C 0.8240(4) 0.7454(4) 0.6931(4) 0.0626(16) Uani 1 1 d . . . . .
C71 C 0.7846(4) 0.6998(4) 0.7013(4) 0.070(2) Uani 1 1 d . . . . .
H71 H 0.795620 0.681715 0.732477 0.084 Uiso 1 1 calc R U . . .
C72 C 0.7310(4) 0.6807(5) 0.6658(4) 0.074(2) Uani 1 1 d . . . . .
H72 H 0.704833 0.650359 0.673007 0.089 Uiso 1 1 calc R U . . .
C73 C 0.8788(4) 0.7679(4) 0.7329(4) 0.0631(17) Uani 1 1 d . . . . .
H73 H 0.909623 0.792111 0.723416 0.076 Uiso 1 1 calc R U . . .
C74 C 0.9407(5) 0.7835(5) 0.8173(4) 0.078(2) Uani 1 1 d . . . . .
H74A H 0.926361 0.806260 0.842539 0.094 Uiso 1 1 calc R U . . .
H74B H 0.966520 0.808370 0.800436 0.094 Uiso 1 1 calc R U . . .
C75 C 0.9791(5) 0.7398(5) 0.8440(4) 0.081(2) Uani 1 1 d . . . . .
H75A H 1.005394 0.756039 0.877201 0.097 Uiso 1 1 calc R U . . .
H75B H 0.950580 0.709061 0.851231 0.097 Uiso 1 1 calc R U . . .
C76 C 1.0265(5) 0.6579(5) 0.8234(4) 0.081(2) Uani 1 1 d . . . . .
H76A H 1.030145 0.651877 0.860119 0.098 Uiso 1 1 calc R U . . .
H76B H 1.065425 0.647987 0.815121 0.098 Uiso 1 1 calc R U . . .
C77 C 0.9711(5) 0.6200(5) 0.7912(4) 0.085(2) Uani 1 1 d . . . . .
H77A H 0.969388 0.583367 0.806302 0.101 Uiso 1 1 calc R U . . .
H77B H 0.931673 0.636388 0.790947 0.101 Uiso 1 1 calc R U . . .
C78 C 0.9347(5) 0.6253(4) 0.7029(4) 0.074(2) Uani 1 1 d . . . . .
H78 H 0.899539 0.640322 0.710402 0.089 Uiso 1 1 calc R U . . .
C79 C 0.9372(4) 0.6172(4) 0.6485(4) 0.0662(17) Uani 1 1 d . . . . .
C80 C 0.8890(5) 0.6307(4) 0.6097(4) 0.077(2) Uani 1 1 d . . . . .
H80 H 0.853900 0.645406 0.617791 0.093 Uiso 1 1 calc R U . . .
C81 C 0.8908(5) 0.6231(4) 0.5589(4) 0.0727(19) Uani 1 1 d . . . . .
H81 H 0.856455 0.631835 0.532561 0.087 Uiso 1 1 calc R U . . .
C82 C 0.9419(5) 0.6030(4) 0.5462(4) 0.0699(17) Uani 1 1 d . . . . .
C83 C 0.9913(5) 0.5910(4) 0.5867(4) 0.075(2) Uani 1 1 d . . . . .
H83 H 1.026999 0.577077 0.579016 0.090 Uiso 1 1 calc R U . . .
C84 C 0.9898(5) 0.5986(4) 0.6366(5) 0.077(2) Uani 1 1 d . . . . .
H84 H 1.024624 0.591324 0.663116 0.092 Uiso 1 1 calc R U . . .
C85 C 0.9438(4) 0.5918(4) 0.4920(4) 0.0715(17) Uani 1 1 d . . . . .
C86 C 0.9170(4) 0.5462(4) 0.4612(4) 0.0690(16) Uani 1 1 d . . . . .
C87 C 0.9736(5) 0.6256(4) 0.4618(4) 0.075(2) Uani 1 1 d . . . . .
C88 C 0.8779(5) 0.4953(4) 0.4706(4) 0.075(2) Uani 1 1 d . . . . .
H88 H 0.879185 0.466196 0.443777 0.090 Uiso 1 1 calc R U . . .
C89 C 0.9024(6) 0.4718(5) 0.5206(5) 0.091(3) Uani 1 1 d . . . . .
H89A H 0.946315 0.465502 0.524388 0.136 Uiso 1 1 calc R U . . .
H89B H 0.878061 0.436506 0.522474 0.136 Uiso 1 1 calc R U . . .
H89C H 0.899028 0.497873 0.548175 0.136 Uiso 1 1 calc R U . . .
C90 C 0.8103(5) 0.5067(5) 0.4625(5) 0.082(3) Uani 1 1 d . . . . .
H90A H 0.807495 0.538902 0.484452 0.123 Uiso 1 1 calc R U . . .
H90B H 0.786101 0.474201 0.471097 0.123 Uiso 1 1 calc R U . . .
H90C H 0.793418 0.514333 0.426556 0.123 Uiso 1 1 calc R U . . .
C91 C 1.0126(6) 0.6822(5) 0.4745(5) 0.090(3) Uani 1 1 d . . . . .
H91 H 1.007797 0.701265 0.441647 0.109 Uiso 1 1 calc R U . . .
C92 C 1.0803(6) 0.6760(6) 0.4940(7) 0.124(5) Uani 1 1 d . . . . .
H92A H 1.096061 0.658760 0.466911 0.186 Uiso 1 1 calc R U . . .
H92B H 1.086369 0.652570 0.523396 0.186 Uiso 1 1 calc R U . . .
H92C H 1.103171 0.712656 0.504601 0.186 Uiso 1 1 calc R U . . .
C93 C 0.9889(6) 0.7193(5) 0.5106(5) 0.091(3) Uani 1 1 d . . . . .
H93A H 0.943416 0.718684 0.498902 0.137 Uiso 1 1 calc R U . . .
H93B H 1.008130 0.757352 0.511028 0.137 Uiso 1 1 calc R U . . .
H93C H 1.000010 0.705745 0.545156 0.137 Uiso 1 1 calc R U . . .
C94 C 1.0797(5) 0.7481(5) 0.8237(4) 0.084(2) Uani 1 1 d . . . . .
H94A H 1.107988 0.734066 0.853926 0.101 Uiso 1 1 calc R U . . .
H94B H 1.075296 0.787463 0.831723 0.101 Uiso 1 1 calc R U . . .
C95 C 1.1089(5) 0.7445(6) 0.7788(4) 0.090(3) Uani 1 1 d . . . . .
H95A H 1.154736 0.753617 0.790419 0.108 Uiso 1 1 calc R U . . .
H95B H 1.100506 0.706469 0.762565 0.108 Uiso 1 1 calc R U . . .
C96 C 1.0413(4) 0.7651(4) 0.7026(4) 0.070(2) Uani 1 1 d . . . . .
H96 H 1.030156 0.726189 0.698581 0.084 Uiso 1 1 calc R U . . .
C97 C 1.0110(4) 0.8012(4) 0.6629(4) 0.0635(18) Uani 1 1 d . . . . .
C98 C 0.9626(5) 0.7775(4) 0.6228(4) 0.075(2) Uani 1 1 d . . . . .
H98 H 0.948351 0.739348 0.622649 0.090 Uiso 1 1 calc R U . . .
C99 C 0.9350(4) 0.8090(4) 0.5832(4) 0.071(2) Uani 1 1 d . . . . .
H99 H 0.901997 0.792161 0.556144 0.086 Uiso 1 1 calc R U . . .
C100 C 0.9550(4) 0.8650(4) 0.5826(3) 0.0570(15) Uani 1 1 d . . . . .
C101 C 1.0019(5) 0.8879(4) 0.6228(4) 0.083(3) Uani 1 1 d . . . . .
H101 H 1.016123 0.926117 0.623292 0.100 Uiso 1 1 calc R U . . .
C102 C 1.0287(5) 0.8567(4) 0.6626(4) 0.081(3) Uani 1 1 d . . . . .
H102 H 1.060131 0.874106 0.690478 0.097 Uiso 1 1 calc R U . . .
C103 C 0.9277(4) 0.8957(4) 0.5366(3) 0.0579(15) Uani 1 1 d . . . . .
C104 C 0.8712(4) 0.9201(4) 0.5265(3) 0.0574(15) Uani 1 1 d . . . . .
C105 C 0.9505(4) 0.9024(3) 0.4940(3) 0.0536(13) Uani 1 1 d . . . . .
C106 C 0.8263(4) 0.9247(4) 0.5596(4) 0.0677(18) Uani 1 1 d . . . . .
H106 H 0.848718 0.913494 0.594082 0.081 Uiso 1 1 calc R U . . .
C107 C 0.7684(5) 0.8839(5) 0.5430(4) 0.081(3) Uani 1 1 d . . . . .
H10D H 0.745919 0.890852 0.508048 0.122 Uiso 1 1 calc R U . . .
H10E H 0.741171 0.888548 0.566190 0.122 Uiso 1 1 calc R U . . .
H10F H 0.780572 0.845925 0.543877 0.122 Uiso 1 1 calc R U . . .
C108 C 0.8114(5) 0.9831(4) 0.5679(4) 0.077(2) Uani 1 1 d . . . . .
H10G H 0.850380 1.007539 0.579358 0.116 Uiso 1 1 calc R U . . .
H10H H 0.787479 0.984354 0.593944 0.116 Uiso 1 1 calc R U . . .
H10I H 0.786686 0.995668 0.535707 0.116 Uiso 1 1 calc R U . . .
C109 C 1.0118(4) 0.8852(4) 0.4867(3) 0.0581(16) Uani 1 1 d . . . . .
H109 H 1.029966 0.863337 0.516655 0.070 Uiso 1 1 calc R U . . .
C110 C 1.0590(4) 0.9358(4) 0.4872(4) 0.070(2) Uani 1 1 d . . . . .
H11D H 1.041986 0.959148 0.459152 0.105 Uiso 1 1 calc R U . . .
H11E H 1.098324 0.923197 0.482798 0.105 Uiso 1 1 calc R U . . .
H11F H 1.066744 0.957319 0.519897 0.105 Uiso 1 1 calc R U . . .
C111 C 1.0033(4) 0.8472(4) 0.4386(4) 0.069(2) Uani 1 1 d . . . . .
H11G H 0.973195 0.815333 0.439453 0.104 Uiso 1 1 calc R U . . .
H11H H 1.043499 0.834071 0.437326 0.104 Uiso 1 1 calc R U . . .
H11I H 0.987655 0.867851 0.408264 0.104 Uiso 1 1 calc R U . . .
C112 C 0.5250(4) 0.4695(4) 0.3934(4) 0.0626(16) Uani 1 1 d . . . . .
C113 C 0.4898(5) 0.4510(4) 0.3448(4) 0.0676(17) Uani 1 1 d . . . . .
C114 C 0.4508(5) 0.4911(4) 0.3273(4) 0.0670(17) Uani 1 1 d . . . . .
C115 C 0.5736(4) 0.4433(4) 0.4304(4) 0.0656(18) Uani 1 1 d . . . . .
H115 H 0.576835 0.463087 0.464236 0.079 Uiso 1 1 calc R U . . .
C116 C 0.6384(5) 0.4531(6) 0.4208(6) 0.113(5) Uani 1 1 d . . . . .
H11J H 0.637693 0.437266 0.386713 0.170 Uiso 1 1 calc R U . . .
H11K H 0.668405 0.435320 0.446713 0.170 Uiso 1 1 calc R U . . .
H11L H 0.650926 0.493100 0.422656 0.170 Uiso 1 1 calc R U . . .
C117 C 0.5559(5) 0.3829(4) 0.4378(5) 0.081(3) Uani 1 1 d . . . . .
H11M H 0.513029 0.378435 0.441933 0.121 Uiso 1 1 calc R U . . .
H11N H 0.584552 0.371091 0.468416 0.121 Uiso 1 1 calc R U . . .
H11O H 0.558529 0.360182 0.407833 0.121 Uiso 1 1 calc R U . . .
C118 C 0.4039(5) 0.4919(5) 0.2774(4) 0.085(3) Uani 1 1 d D . . . .
H118 H 0.411067 0.456392 0.260789 0.102 Uiso 1 1 calc R U . . .
C119 C 0.3386(5) 0.4792(7) 0.2781(6) 0.119(4) Uani 1 1 d D U . . .
H11P H 0.336001 0.453855 0.305279 0.179 Uiso 1 1 calc R U . . .
H11Q H 0.315286 0.461509 0.245013 0.179 Uiso 1 1 calc R U . . .
H11R H 0.320785 0.513528 0.284551 0.179 Uiso 1 1 calc R U . . .
C120 C 0.4213(6) 0.5311(6) 0.2418(4) 0.104(4) Uani 1 1 d D . . . .
H12D H 0.405070 0.566745 0.246733 0.156 Uiso 1 1 calc R U . . .
H12E H 0.403420 0.516204 0.206530 0.156 Uiso 1 1 calc R U . . .
H12F H 0.466887 0.536564 0.248231 0.156 Uiso 1 1 calc R U . . .
C121 C 0.4984(4) 0.3999(3) 0.3156(3) 0.081(2) Uani 1 1 d G . . . .
C126 C 0.4559(3) 0.3528(3) 0.3071(3) 0.102(3) Uani 1 1 d G . . . .
H126 H 0.419855 0.352064 0.320232 0.123 Uiso 1 1 calc R U . . .
C125 C 0.4662(3) 0.3067(3) 0.2792(3) 0.089(3) Uani 1 1 d G . . . .
H125 H 0.437212 0.274504 0.273417 0.107 Uiso 1 1 calc R U . . .
C124 C 0.5190(4) 0.3077(3) 0.2600(3) 0.083(2) Uani 1 1 d G . . . .
C123 C 0.5615(3) 0.3548(3) 0.2685(3) 0.103(4) Uani 1 1 d G . . . .
H123 H 0.597542 0.355533 0.255304 0.123 Uiso 1 1 calc R U . . .
C122 C 0.5512(4) 0.4009(3) 0.2963(3) 0.114(4) Uani 1 1 d G . . . .
H122 H 0.580186 0.433094 0.302119 0.137 Uiso 1 1 calc R U . . .
C127 C 0.5338(6) 0.2584(5) 0.2330(5) 0.087(3) Uani 1 1 d . . . . .
H127 H 0.570215 0.260540 0.220204 0.104 Uiso 1 1 calc R U . . .
C128 C 0.5188(5) 0.1658(5) 0.1993(4) 0.083(2) Uani 1 1 d . . . . .
H12G H 0.558227 0.178315 0.190156 0.099 Uiso 1 1 calc R U . . .
H12H H 0.526933 0.134722 0.222213 0.099 Uiso 1 1 calc R U . . .
C129 C 0.4699(5) 0.1465(4) 0.1522(4) 0.077(2) Uani 1 1 d . . . . .
H12I H 0.474685 0.107405 0.143290 0.092 Uiso 1 1 calc R U . . .
H12J H 0.428323 0.147602 0.159405 0.092 Uiso 1 1 calc R U . . .
C130 C 0.4087(4) 0.1847(4) 0.0778(4) 0.0715(19) Uani 1 1 d . . . . .
H13A H 0.381860 0.150196 0.079240 0.086 Uiso 1 1 calc R U . . .
H13B H 0.409959 0.188790 0.041714 0.086 Uiso 1 1 calc R U . . .
C131 C 0.3799(5) 0.2330(4) 0.0954(4) 0.076(2) Uani 1 1 d . . . . .
H13C H 0.335072 0.230694 0.077476 0.092 Uiso 1 1 calc R U . . .
H13D H 0.383141 0.231768 0.132596 0.092 Uiso 1 1 calc R U . . .
C132 C 0.4230(4) 0.3250(4) 0.1188(4) 0.0642(18) Uani 1 1 d . . . . .
H132 H 0.413323 0.319013 0.150733 0.077 Uiso 1 1 calc R U . . .
C133 C 0.4510(4) 0.3806(3) 0.1096(4) 0.0575(15) Uani 1 1 d . . . . .
C134 C 0.4700(4) 0.3915(3) 0.0654(3) 0.0592(16) Uani 1 1 d . . . . .
H134 H 0.467430 0.361999 0.040657 0.071 Uiso 1 1 calc R U . . .
C135 C 0.4925(4) 0.4438(3) 0.0564(3) 0.0561(15) Uani 1 1 d . . . . .
H135 H 0.504571 0.449896 0.025418 0.067 Uiso 1 1 calc R U . . .
C136 C 0.4978(3) 0.4887(3) 0.0926(3) 0.0523(13) Uani 1 1 d . . . . .
C137 C 0.4797(5) 0.4772(4) 0.1379(4) 0.070(2) Uani 1 1 d . . . . .
H137 H 0.483366 0.506069 0.163413 0.084 Uiso 1 1 calc R U . . .
C138 C 0.4562(5) 0.4233(4) 0.1458(4) 0.074(2) Uani 1 1 d . . . . .
H138 H 0.443825 0.416229 0.176434 0.089 Uiso 1 1 calc R U . . .
C139 C 0.5184(3) 0.5459(3) 0.0828(3) 0.0489(13) Uani 1 1 d . . . . .
C140 C 0.5772(3) 0.5666(3) 0.0779(3) 0.0489(13) Uani 1 1 d . . . . .
C141 C 0.4820(3) 0.5903(3) 0.0767(3) 0.0503(14) Uani 1 1 d . . . . .
C142 C 0.6378(4) 0.5419(3) 0.0800(3) 0.0557(15) Uani 1 1 d . . . . .
H142 H 0.672491 0.571635 0.094086 0.067 Uiso 1 1 calc R U . . .
C143 C 0.6456(4) 0.4947(4) 0.1168(4) 0.069(2) Uani 1 1 d . . . . .
H14A H 0.637695 0.507295 0.149343 0.103 Uiso 1 1 calc R U . . .
H14B H 0.688338 0.483986 0.122889 0.103 Uiso 1 1 calc R U . . .
H14C H 0.615885 0.462732 0.101788 0.103 Uiso 1 1 calc R U . . .
C144 C 0.6437(4) 0.5228(4) 0.0271(4) 0.0653(19) Uani 1 1 d . . . . .
H14D H 0.609204 0.494600 0.011567 0.098 Uiso 1 1 calc R U . . .
H14E H 0.683576 0.506892 0.030252 0.098 Uiso 1 1 calc R U . . .
H14F H 0.642119 0.554562 0.005406 0.098 Uiso 1 1 calc R U . . .
C145 C 0.4143(4) 0.5915(3) 0.0794(4) 0.0581(16) Uani 1 1 d . . . . .
H145 H 0.395945 0.552143 0.078470 0.070 Uiso 1 1 calc R U . . .
C146 C 0.4105(4) 0.6201(4) 0.1301(4) 0.069(2) Uani 1 1 d . . . . .
H14G H 0.434340 0.600949 0.158804 0.103 Uiso 1 1 calc R U . . .
H14H H 0.366716 0.618608 0.131755 0.103 Uiso 1 1 calc R U . . .
H14I H 0.427980 0.658873 0.132044 0.103 Uiso 1 1 calc R U . . .
C147 C 0.3758(4) 0.6188(4) 0.0330(4) 0.0653(19) Uani 1 1 d . . . . .
H14J H 0.389394 0.658612 0.035222 0.098 Uiso 1 1 calc R U . . .
H14K H 0.331373 0.613591 0.032895 0.098 Uiso 1 1 calc R U . . .
H14L H 0.381923 0.601707 0.001444 0.098 Uiso 1 1 calc R U . . .
C148 C 0.5103(5) 0.1559(4) 0.0783(4) 0.0748(19) Uani 1 1 d . . . . .
H14M H 0.486452 0.122786 0.057938 0.090 Uiso 1 1 calc R U . . .
H14N H 0.547757 0.143458 0.101703 0.090 Uiso 1 1 calc R U . . .
C149 C 0.5319(5) 0.1967(5) 0.0413(4) 0.077(2) Uani 1 1 d . . . . .
H14O H 0.541377 0.175323 0.012678 0.092 Uiso 1 1 calc R U . . .
H14P H 0.497568 0.219570 0.026692 0.092 Uiso 1 1 calc R U . . .
C150 C 0.5785(5) 0.2770(4) 0.0887(4) 0.075(2) Uani 1 1 d . . . . .
H150 H 0.537226 0.286994 0.085272 0.090 Uiso 1 1 calc R U . . .
C151 C 0.6324(4) 0.3151(4) 0.1199(4) 0.0688(19) Uani 1 1 d . . . . .
C152 C 0.6923(4) 0.3131(4) 0.1115(4) 0.073(2) Uani 1 1 d . . . . .
H152 H 0.698125 0.289253 0.084786 0.087 Uiso 1 1 calc R U . . .
C153 C 0.7425(4) 0.3456(4) 0.1418(4) 0.074(2) Uani 1 1 d . . . . .
H153 H 0.782858 0.343993 0.135893 0.088 Uiso 1 1 calc R U . . .
C154 C 0.7343(4) 0.3818(4) 0.1822(4) 0.0656(17) Uani 1 1 d . . . . .
C155 C 0.6738(4) 0.3845(4) 0.1872(4) 0.0666(19) Uani 1 1 d . . . . .
H155 H 0.666306 0.408968 0.212772 0.080 Uiso 1 1 calc R U . . .
C156 C 0.6237(4) 0.3516(4) 0.1550(4) 0.0660(18) Uani 1 1 d . . . . .
H156 H 0.582505 0.355413 0.158196 0.079 Uiso 1 1 calc R U . . .
C157 C 0.7865(4) 0.4182(4) 0.2121(4) 0.0690(16) Uani 1 1 d . . . . .
C158 C 0.8048(4) 0.4247(4) 0.2674(4) 0.0697(17) Uani 1 1 d . . . . .
C159 C 0.8262(4) 0.4580(4) 0.1960(4) 0.0692(16) Uani 1 1 d . . . . .
C160 C 0.7802(5) 0.3930(4) 0.3063(5) 0.078(2) Uani 1 1 d . . . . .
H160 H 0.750400 0.362343 0.285981 0.094 Uiso 1 1 calc R U . . .
C161 C 0.8292(5) 0.3641(5) 0.3423(5) 0.089(3) Uani 1 1 d . . . . .
H16A H 0.859648 0.352272 0.324240 0.134 Uiso 1 1 calc R U . . .
H16B H 0.809218 0.331614 0.354821 0.134 Uiso 1 1 calc R U . . .
H16C H 0.850633 0.389763 0.371385 0.134 Uiso 1 1 calc R U . . .
C162 C 0.7413(6) 0.4256(5) 0.3327(5) 0.095(3) Uani 1 1 d . . . . .
H16D H 0.768505 0.453988 0.356548 0.143 Uiso 1 1 calc R U . . .
H16E H 0.719270 0.400507 0.351685 0.143 Uiso 1 1 calc R U . . .
H16F H 0.710876 0.443424 0.307238 0.143 Uiso 1 1 calc R U . . .
C163 C 0.8252(5) 0.4723(4) 0.1426(4) 0.0752(19) Uani 1 1 d . . . . .
H163 H 0.789542 0.448467 0.119722 0.090 Uiso 1 1 calc R U . . .
C164 C 0.8838(5) 0.4575(6) 0.1284(5) 0.094(3) Uani 1 1 d . . . . .
H16G H 0.920125 0.480109 0.149952 0.142 Uiso 1 1 calc R U . . .
H16H H 0.880771 0.464744 0.092347 0.142 Uiso 1 1 calc R U . . .
H16I H 0.888684 0.418122 0.133492 0.142 Uiso 1 1 calc R U . . .
C165 C 0.8134(5) 0.5315(4) 0.1324(5) 0.085(3) Uani 1 1 d . . . . .
H16J H 0.777789 0.540831 0.145603 0.128 Uiso 1 1 calc R U . . .
H16K H 0.804012 0.536219 0.095513 0.128 Uiso 1 1 calc R U . . .
H16L H 0.850568 0.556128 0.149591 0.128 Uiso 1 1 calc R U . . .
C166 C 0.7564(4) 0.7343(4) 0.0308(4) 0.0595(16) Uani 1 1 d . . . . .
C167 C 0.7879(4) 0.7883(4) 0.0356(3) 0.0591(15) Uani 1 1 d . . . . .
C168 C 0.7490(3) 0.8228(4) 0.0515(3) 0.0562(15) Uani 1 1 d . . . . .
C169 C 0.7777(4) 0.6812(4) 0.0145(5) 0.076(2) Uani 1 1 d . . . . .
H169 H 0.817104 0.690824 0.003522 0.091 Uiso 1 1 calc R U . . .
C170 C 0.7302(5) 0.6514(5) -0.0315(5) 0.093(3) Uani 1 1 d . . . . .
H17A H 0.689290 0.645863 -0.023573 0.140 Uiso 1 1 calc R U . . .
H17B H 0.743856 0.615367 -0.039017 0.140 Uiso 1 1 calc R U . . .
H17C H 0.726957 0.674062 -0.061289 0.140 Uiso 1 1 calc R U . . .
C171 C 0.7924(6) 0.6426(5) 0.0568(6) 0.103(3) Uani 1 1 d . U . . .
H17D H 0.811799 0.664009 0.089040 0.155 Uiso 1 1 calc R U . . .
H17E H 0.821377 0.616891 0.049427 0.155 Uiso 1 1 calc R U . . .
H17F H 0.753824 0.621464 0.059733 0.155 Uiso 1 1 calc R U . . .
C172 C 0.7550(4) 0.8839(4) 0.0640(4) 0.0623(16) Uani 1 1 d . . . . .
H172 H 0.731336 0.889364 0.090698 0.075 Uiso 1 1 calc R U . . .
C173 C 0.8216(4) 0.9087(5) 0.0876(4) 0.074(2) Uani 1 1 d . . . . .
H17G H 0.839289 0.889188 0.118196 0.112 Uiso 1 1 calc R U . . .
H17H H 0.821519 0.948151 0.097067 0.112 Uiso 1 1 calc R U . . .
H17I H 0.846832 0.904883 0.062735 0.112 Uiso 1 1 calc R U . . .
C174 C 0.7231(4) 0.9154(4) 0.0181(4) 0.070(2) Uani 1 1 d . . . . .
H17J H 0.745487 0.912333 -0.008932 0.105 Uiso 1 1 calc R U . . .
H17K H 0.723788 0.954576 0.028671 0.105 Uiso 1 1 calc R U . . .
H17L H 0.679772 0.899360 0.005090 0.105 Uiso 1 1 calc R U . . .
C175 C 0.8514(2) 0.8014(3) 0.0267(2) 0.0603(18) Uani 1 1 d G . . . .
C180 C 0.9033(3) 0.7812(3) 0.0581(2) 0.102(4) Uani 1 1 d G . . . .
H180 H 0.899012 0.761213 0.086986 0.122 Uiso 1 1 calc R U . . .
C179 C 0.9615(2) 0.7903(3) 0.0474(3) 0.098(4) Uani 1 1 d G . . . .
H179 H 0.996951 0.776513 0.068937 0.118 Uiso 1 1 calc R U . . .
C178 C 0.96776(19) 0.8195(3) 0.0052(2) 0.0644(18) Uani 1 1 d G . . . .
C177 C 0.9159(2) 0.8397(3) -0.0263(2) 0.0669(19) Uani 1 1 d G . . . .
H177 H 0.920150 0.859688 -0.055117 0.080 Uiso 1 1 calc R U . . .
C176 C 0.8577(2) 0.8306(3) -0.0156(2) 0.065(2) Uani 1 1 d G . . . .
H176 H 0.822211 0.844388 -0.037069 0.078 Uiso 1 1 calc R U . . .
C181 C 1.0300(4) 0.8273(4) -0.0068(4) 0.071(2) Uani 1 1 d D . . . .
H181 H 1.064887 0.815140 0.016818 0.085 Uiso 1 1 calc R U . . .
C182 C 1.1008(5) 0.8502(5) -0.0542(5) 0.086(3) Uani 1 1 d . . . . .
H18A H 1.098600 0.835998 -0.089491 0.104 Uiso 1 1 calc R U . . .
H18B H 1.125554 0.825773 -0.030149 0.104 Uiso 1 1 calc R U . . .
C183 C 1.1333(4) 0.9098(4) -0.0455(4) 0.0707(19) Uani 1 1 d . . . . .
H18C H 1.169481 0.912294 -0.061102 0.085 Uiso 1 1 calc R U . . .
H18D H 1.103810 0.935922 -0.062230 0.085 Uiso 1 1 calc R U . . .
C184 C 1.1600(4) 0.9860(4) 0.0171(4) 0.0693(19) Uani 1 1 d . . . . .
H18E H 1.180390 1.001935 -0.008777 0.083 Uiso 1 1 calc R U . . .
H18F H 1.187209 0.997851 0.051299 0.083 Uiso 1 1 calc R U . . .
C185 C 1.0986(5) 1.0092(5) 0.0118(4) 0.076(2) Uani 1 1 d . . . . .
H18G H 1.101166 1.046392 -0.002150 0.092 Uiso 1 1 calc R U . . .
H18H H 1.066188 0.985087 -0.013296 0.092 Uiso 1 1 calc R U . . .
C186 C 1.0435(6) 0.9806(7) 0.0672(4) 0.114(3) Uani 1 1 d D U . . .
H186 H 1.030892 0.947532 0.045796 0.136 Uiso 1 1 calc R U . . .
C190 C 0.9667(3) 0.9911(3) 0.1990(2) 0.0758(18) Uani 1 1 d G . . . .
C191 C 0.9686(3) 0.9408(3) 0.1733(3) 0.088(2) Uani 1 1 d G . . . .
H191 H 0.953269 0.907171 0.185095 0.105 Uiso 1 1 calc R U . . .
C192 C 0.9929(3) 0.9397(3) 0.1305(3) 0.101(3) Uani 1 1 d G . . . .
H192 H 0.994224 0.905324 0.112973 0.121 Uiso 1 1 calc R U . . .
C187 C 1.0154(3) 0.9890(4) 0.1133(2) 0.102(3) Uani 1 1 d DG . . . .
C188 C 1.0135(3) 1.0393(3) 0.1389(3) 0.097(2) Uani 1 1 d G . . . .
H188 H 1.028863 1.072923 0.127127 0.116 Uiso 1 1 calc R U . . .
C189 C 0.9892(3) 1.0404(3) 0.1817(3) 0.090(2) Uani 1 1 d G . . . .
H189 H 0.987908 1.074772 0.199250 0.108 Uiso 1 1 calc R U . . .
C193 C 0.9375(4) 0.9915(4) 0.2453(4) 0.0661(17) Uani 1 1 d . . . . .
C194 C 0.9606(4) 0.9749(4) 0.2941(4) 0.0646(18) Uani 1 1 d . . . . .
C195 C 0.8775(4) 1.0045(4) 0.2435(4) 0.0630(17) Uani 1 1 d . . . . .
C196 C 1.0240(4) 0.9577(6) 0.3193(4) 0.087(3) Uani 1 1 d . . . . .
H196 H 1.028486 0.960406 0.357077 0.104 Uiso 1 1 calc R U . . .
C197 C 1.0305(6) 0.8989(6) 0.3048(6) 0.112(4) Uani 1 1 d . . . . .
H19A H 0.995442 0.874775 0.310811 0.167 Uiso 1 1 calc R U . . .
H19B H 1.069865 0.887742 0.325509 0.167 Uiso 1 1 calc R U . . .
H19C H 1.030425 0.895479 0.268464 0.167 Uiso 1 1 calc R U . . .
C198 C 1.0767(5) 0.9976(6) 0.3080(5) 0.102(3) Uani 1 1 d . . . . .
H19D H 1.074334 0.995301 0.271260 0.153 Uiso 1 1 calc R U . . .
H19E H 1.117340 0.987158 0.326958 0.153 Uiso 1 1 calc R U . . .
H19F H 1.071866 1.035718 0.318718 0.153 Uiso 1 1 calc R U . . .
C199 C 0.8325(4) 1.0261(5) 0.1990(4) 0.078(2) Uani 1 1 d . . . . .
H199 H 0.852971 1.026169 0.169835 0.093 Uiso 1 1 calc R U . . .
C200 C 0.7713(4) 0.9885(5) 0.1812(4) 0.080(3) Uani 1 1 d . . . . .
H20C H 0.780553 0.950678 0.173687 0.119 Uiso 1 1 calc R U . . .
H20D H 0.745460 1.002509 0.150294 0.119 Uiso 1 1 calc R U . . .
H20E H 0.748787 0.988068 0.208282 0.119 Uiso 1 1 calc R U . . .
C201 C 0.8206(7) 1.0859(6) 0.2092(6) 0.115(4) Uani 1 1 d . . . . .
H20F H 0.812640 1.090161 0.243207 0.172 Uiso 1 1 calc R U . . .
H20G H 0.784138 1.095322 0.183259 0.172 Uiso 1 1 calc R U . . .
H20H H 0.857289 1.110768 0.207608 0.172 Uiso 1 1 calc R U . . .
C202 C 1.2144(4) 0.9042(4) 0.0315(4) 0.0720(19) Uani 1 1 d . . . . .
H20I H 1.247575 0.927154 0.020617 0.086 Uiso 1 1 calc R U . . .
H20J H 1.213056 0.865840 0.017060 0.086 Uiso 1 1 calc R U . . .
C203 C 1.2311(5) 0.9039(5) 0.0893(4) 0.081(2) Uani 1 1 d . . . . .
H20K H 1.277122 0.906768 0.102320 0.098 Uiso 1 1 calc R U . . .
H20L H 1.215542 0.936396 0.103645 0.098 Uiso 1 1 calc R U . . .
C204 C 1.1644(5) 0.8606(5) 0.1276(4) 0.089(3) Uani 1 1 d D . . . .
H204 H 1.150062 0.896384 0.128873 0.107 Uiso 1 1 calc R U . . .
C208 C 1.0838(3) 0.7298(3) 0.2036(3) 0.081(2) Uani 1 1 d G . . . .
C209 C 1.1342(4) 0.7197(3) 0.1835(4) 0.123(5) Uani 1 1 d G . . . .
H209 H 1.150387 0.684586 0.186694 0.147 Uiso 1 1 calc R U . . .
C210 C 1.1608(4) 0.7611(3) 0.1588(4) 0.122(5) Uani 1 1 d G . . . .
H210 H 1.195218 0.754190 0.145013 0.146 Uiso 1 1 calc R U . . .
C205 C 1.1371(4) 0.8124(3) 0.1541(3) 0.101(3) Uani 1 1 d DG . . . .
C206 C 1.0868(4) 0.8225(3) 0.1742(3) 0.099(3) Uani 1 1 d G . . . .
H206 H 1.070546 0.857617 0.171057 0.119 Uiso 1 1 calc R U . . .
C207 C 1.0601(3) 0.7811(3) 0.1990(3) 0.103(4) Uani 1 1 d G . . . .
H207 H 1.025714 0.788013 0.212739 0.124 Uiso 1 1 calc R U . . .
C211 C 1.0543(4) 0.6849(5) 0.2308(4) 0.074(2) Uani 1 1 d . . . . .
C212 C 1.0139(4) 0.6371(5) 0.2082(4) 0.077(2) Uani 1 1 d . . . . .
C213 C 1.0564(5) 0.6865(5) 0.2805(4) 0.076(2) Uani 1 1 d . . . . .
C214 C 0.9945(6) 0.6120(5) 0.1557(5) 0.095(3) Uani 1 1 d . . . . .
H214 H 0.957878 0.584197 0.153882 0.114 Uiso 1 1 calc R U . . .
C215 C 1.0459(8) 0.5810(8) 0.1413(6) 0.135(5) Uani 1 1 d . . . . .
H21C H 1.081251 0.581025 0.171296 0.203 Uiso 1 1 calc R U . . .
H21D H 1.059809 0.599607 0.113785 0.203 Uiso 1 1 calc R U . . .
H21E H 1.029349 0.542699 0.129738 0.203 Uiso 1 1 calc R U . . .
C216 C 0.9728(9) 0.6559(8) 0.1175(6) 0.144(5) Uani 1 1 d . . . . .
H21F H 0.936314 0.671403 0.124864 0.215 Uiso 1 1 calc R U . . .
H21G H 0.961606 0.638822 0.082664 0.215 Uiso 1 1 calc R U . . .
H21H H 1.006663 0.685648 0.120600 0.215 Uiso 1 1 calc R U . . .
C217 C 1.0916(5) 0.7286(5) 0.3230(4) 0.086(2) Uani 1 1 d . . . . .
H217 H 1.115504 0.756252 0.306517 0.104 Uiso 1 1 calc R U . . .
C218 C 1.0502(8) 0.7606(6) 0.3464(6) 0.117(4) Uani 1 1 d . . . . .
H21I H 1.074859 0.792575 0.367144 0.176 Uiso 1 1 calc R U . . .
H21J H 1.031081 0.736726 0.368170 0.176 Uiso 1 1 calc R U . . .
H21K H 1.017287 0.773681 0.319327 0.176 Uiso 1 1 calc R U . . .
C219 C 1.1389(6) 0.7039(6) 0.3628(5) 0.105(3) Uani 1 1 d . . . . .
H21L H 1.117599 0.679718 0.383035 0.158 Uiso 1 1 calc R U . . .
H21M H 1.165650 0.733557 0.385353 0.158 Uiso 1 1 calc R U . . .
H21N H 1.164547 0.682014 0.346355 0.158 Uiso 1 1 calc R U . . .
Cl1 Cl 0.77009(13) 1.18795(14) 0.09151(15) 0.1038(9) Uani 1 1 d . . . . .
Cl4 Cl 0.67498(19) 1.09771(16) 0.0818(2) 0.1549(17) Uani 1 1 d . U . . .
Cl6 Cl 0.7022(2) 1.1811(2) 0.1679(2) 0.1435(14) Uani 1 1 d . . . . .
C361 C 0.6975(5) 1.1682(5) 0.1020(5) 0.094(3) Uani 1 1 d . . . . .
D361 D 0.666211 1.191429 0.081584 0.113 Uiso 1 1 calc R U . . .
Cl5 Cl 0.7924(3) 0.6302(2) -0.1637(2) 0.1682(19) Uani 1 1 d . . . . .
Cl8 Cl 0.8168(3) 0.73525(19) -0.10690(15) 0.1387(15) Uani 1 1 d . . . . .
Cl9 Cl 0.7090(2) 0.7135(3) -0.1918(2) 0.174(2) Uani 1 1 d . . . . .
C362 C 0.7846(8) 0.7023(7) -0.1661(6) 0.122(5) Uani 1 1 d . . . . .
D362 D 0.809513 0.717239 -0.189868 0.147 Uiso 1 1 calc R U . . .
C301 C 0.7380(7) 0.8187(6) 0.4117(5) 0.131(3) Uani 1 1 d D . . . .
C302 C 0.8174(6) 0.7483(5) 0.4242(5) 0.123(2) Uani 1 1 d D . . . .
C303 C 0.7981(7) 0.8017(5) 0.4123(5) 0.130(3) Uani 1 1 d D . . . .
C304 C 0.8468(6) 0.7113(5) 0.3974(5) 0.119(2) Uani 1 1 d D . . . .
C305 C 0.7695(6) 0.7139(5) 0.4382(5) 0.124(3) Uani 1 1 d D . . . .
C306 C 0.8197(6) 0.8253(5) 0.3714(5) 0.129(2) Uani 1 1 d D . . . .
C307 C 0.8158(6) 0.6562(5) 0.3954(4) 0.109(2) Uani 1 1 d D . . . .
C308 C 0.8686(7) 0.7366(5) 0.3579(5) 0.132(3) Uani 1 1 d D . . . .
C309 C 0.7111(7) 0.7339(6) 0.4383(5) 0.130(3) Uani 1 1 d D . . . .
C310 C 0.7671(6) 0.6569(5) 0.4211(5) 0.111(2) Uani 1 1 d D . . . .
C311 C 0.7240(7) 0.8530(7) 0.3690(6) 0.140(3) Uani 1 1 d D . . . .
C312 C 0.6876(7) 0.7851(6) 0.4229(7) 0.147(3) Uani 1 1 d D . . . .
C313 C 0.7735(7) 0.8575(5) 0.3437(5) 0.127(2) Uani 1 1 d D . . . .
C314 C 0.8553(5) 0.7921(5) 0.3471(5) 0.122(2) Uani 1 1 d D . . . .
C315 C 0.8074(6) 0.6205(5) 0.3509(5) 0.115(3) Uani 1 1 d D . . . .
C316 C 0.8592(6) 0.6970(5) 0.3155(5) 0.120(3) Uani 1 1 d D . . . .
C317 C 0.6540(7) 0.6997(6) 0.4187(6) 0.135(3) Uani 1 1 d D . . . .
C318 C 0.7092(6) 0.6242(6) 0.4005(5) 0.116(3) Uani 1 1 d D . . . .
C319 C 0.6628(7) 0.8539(7) 0.3374(5) 0.138(3) Uani 1 1 d D . . . .
C320 C 0.6254(7) 0.7819(6) 0.3909(5) 0.130(3) Uani 1 1 d D . . . .
C321 C 0.7690(6) 0.8562(5) 0.2902(5) 0.123(3) Uani 1 1 d D . . . .
C322 C 0.8469(8) 0.7886(6) 0.2931(5) 0.140(3) Uani 1 1 d D . . . .
C323 C 0.7498(6) 0.5874(6) 0.3314(5) 0.120(3) Uani 1 1 d D . . . .
C324 C 0.8321(7) 0.6413(5) 0.3104(5) 0.120(3) Uani 1 1 d D . . . .
C325 C 0.8477(7) 0.7330(6) 0.2741(5) 0.130(3) Uani 1 1 d D . . . .
C326 C 0.6500(7) 0.6442(7) 0.3985(6) 0.139(3) Uani 1 1 d D . . . .
C327 C 0.6027(8) 0.7250(7) 0.3885(7) 0.152(4) Uani 1 1 d D . . . .
C328 C 0.6995(6) 0.5885(6) 0.3554(5) 0.122(3) Uani 1 1 d D . . . .
C329 C 0.6583(6) 0.8553(6) 0.2835(5) 0.123(3) Uani 1 1 d D . . . .
C330 C 0.6144(8) 0.8192(7) 0.3508(5) 0.138(3) Uani 1 1 d D . . . .
C331 C 0.7071(6) 0.8537(6) 0.2577(5) 0.124(3) Uani 1 1 d D . . . .
C332 C 0.8024(6) 0.8217(5) 0.2647(5) 0.123(3) Uani 1 1 d D . . . .
C333 C 0.7420(6) 0.5889(6) 0.2769(5) 0.124(3) Uani 1 1 d D . . . .
C334 C 0.7905(7) 0.6224(6) 0.2629(5) 0.121(3) Uani 1 1 d D . . . .
C335 C 0.8063(6) 0.7161(6) 0.2258(5) 0.127(3) Uani 1 1 d D . . . .
C336 C 0.6046(6) 0.6257(6) 0.3523(6) 0.132(3) Uani 1 1 d D . . . .
C337 C 0.5587(8) 0.7121(7) 0.3406(6) 0.147(3) Uani 1 1 d D . . . .
C338 C 0.6361(6) 0.5895(6) 0.3263(5) 0.130(3) Uani 1 1 d D . . . .
C339 C 0.6005(7) 0.8224(6) 0.2637(5) 0.126(3) Uani 1 1 d D . . . .
C340 C 0.5748(7) 0.7993(6) 0.3028(5) 0.130(3) Uani 1 1 d D . . . .
C341 C 0.6993(5) 0.8196(5) 0.2121(5) 0.108(2) Uani 1 1 d D . . . .
C342 C 0.7597(6) 0.8011(6) 0.2175(6) 0.132(3) Uani 1 1 d D . . . .
C343 C 0.6806(6) 0.5883(5) 0.2453(5) 0.126(3) Uani 1 1 d D . . . .
C344 C 0.7812(6) 0.6594(5) 0.2223(5) 0.119(3) Uani 1 1 d D . . . .
C345 C 0.7587(6) 0.7465(5) 0.1963(6) 0.124(3) Uani 1 1 d D . . . .
C346 C 0.5607(8) 0.6572(7) 0.3211(6) 0.152(4) Uani 1 1 d D . . . .
C347 C 0.5460(7) 0.7439(6) 0.2967(6) 0.136(3) Uani 1 1 d D . . . .
C348 C 0.6332(6) 0.5858(5) 0.2728(5) 0.124(2) Uani 1 1 d D . . . .
C349 C 0.5918(6) 0.7878(5) 0.2186(5) 0.113(2) Uani 1 1 d D . . . .
C350 C 0.6414(5) 0.7859(5) 0.1937(5) 0.104(2) Uani 1 1 d D . . . .
C351 C 0.6713(6) 0.6237(5) 0.2032(5) 0.119(2) Uani 1 1 d D . . . .
C352 C 0.7188(6) 0.6599(5) 0.1913(5) 0.120(3) Uani 1 1 d D . . . .
C353 C 0.7011(6) 0.7129(5) 0.1751(5) 0.118(3) Uani 1 1 d D . . . .
C354 C 0.5538(5) 0.6505(6) 0.2675(6) 0.127(2) Uani 1 1 d D . . . .
C355 C 0.5405(8) 0.7053(6) 0.2543(6) 0.140(3) Uani 1 1 d D . . . .
C356 C 0.5888(6) 0.6176(6) 0.2422(5) 0.131(3) Uani 1 1 d D . . . .
C357 C 0.5632(6) 0.7320(5) 0.2157(5) 0.122(3) Uani 1 1 d D . . . .
C358 C 0.6411(5) 0.7300(5) 0.1752(5) 0.108(2) Uani 1 1 d D . . . .
C359 C 0.6105(6) 0.6405(5) 0.2007(5) 0.123(2) Uani 1 1 d D . . . .
C360 C 0.5935(6) 0.6949(5) 0.1894(5) 0.115(2) Uani 1 1 d D . . . .
Au14 Au 0.9115(2) 0.95479(18) 0.38762(19) 0.105(2) Uani 0.283(10) 1 d . . P C 2
Au15 Au 0.7855(2) 1.0054(3) 0.3143(2) 0.124(2) Uani 0.283(10) 1 d . . P C 2
Au13 Au 0.7863(2) 0.9713(2) 0.4323(2) 0.113(2) Uani 0.283(10) 1 d . . P C 2
Au17 Au 0.8933(3) 0.5131(3) 0.3633(5) 0.133(2) Uani 0.217(6) 1 d . . P D 2
Au16 Au 0.9978(3) 0.6243(3) 0.3688(4) 0.130(2) Uani 0.217(6) 1 d . U P D 2
Au18 Au 0.9313(3) 0.5563(4) 0.2585(4) 0.128(2) Uani 0.217(6) 1 d . U P D 2
Au19 Au 0.50397(10) 0.71607(9) 0.07492(9) 0.0699(13) Uani 0.487(19) 1 d . . P B
2
Au20 Au 0.61709(11) 0.81395(10) 0.06985(10) 0.0772(15) Uani 0.487(19) 1 d . . P
B 2
Au21 Au 0.63729(10) 0.67920(10) 0.05434(9) 0.0810(16) Uani 0.487(19) 1 d . . P B
2
Au22 Au 0.54672(14) 0.57743(15) 0.45913(14) 0.0888(18) Uani 0.398(19) 1 d . . P
A 2
Au23 Au 0.43229(16) 0.61036(18) 0.36279(14) 0.0921(19) Uani 0.398(19) 1 d . . P
A 2
Au24 Au 0.49904(16) 0.70428(19) 0.45982(14) 0.099(2) Uani 0.398(19) 1 d . . P A
2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
D D 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 0 0.1230
1 2 1 0.2868
1 -1 2 0.2038
2 14 -8 0.2605
7 3 12 0.2458
0 -1 1 0.2043
-2 -14 8 0.2081
-1 -1 2 0.2510
-1 -1 1 0.2453
-6 -5 16 0.2470
0 2 17 0.2573
5 6 12 0.2523
1 1 -1 0.2793
-13 1 10 0.2047
-13 2 11 0.2027
1 10 12 0.2279
-14 -2 7 0.2250
13 -1 -10 0.1958
-12 9 2 0.0953
-10 12 4 0.1182
-2 1 0 0.1248
9 -12 4 0.1093
-9 12 -4 0.1227
-2 1 -1 0.1462
2 -1 1 0.1775
-5 0 -15 0.2090
1 0 -2 0.2029
2 -1 -2 0.1601
2 -10 -13 0.2518
2 -2 -1 0.1133
9 -13 -2 0.1006
-12 9 0 0.0872
-10 12 2 0.0904
13 -5 2 0.1804
9 -13 -3 0.0975
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au3 59.34(4) . . ?
N1 Au1 Au2 60.0(2) . . ?
N1 Au1 Au3 119.3(2) . . ?
N6 Au1 Au2 119.5(2) . . ?
N6 Au1 Au3 60.2(2) . . ?
N6 Au1 N1 178.3(3) . . ?
Au3 Au2 Au1 60.43(4) . . ?
N2 Au2 Au1 60.4(2) . . ?
N2 Au2 Au3 120.8(2) . . ?
N3 Au2 Au1 121.1(2) . . ?
N3 Au2 Au3 60.7(2) . . ?
N3 Au2 N2 176.9(3) . . ?
Au2 Au3 Au1 60.23(4) . . ?
N4 Au3 Au1 121.1(2) . . ?
N4 Au3 Au2 61.0(2) . . ?
N4 Au3 N5 176.6(3) . . ?
N5 Au3 Au1 59.4(2) . . ?
N5 Au3 Au2 119.6(2) . . ?
Au6 Au4 Au5 60.82(4) . . ?
N7 Au4 Au5 60.69(18) . . ?
N7 Au4 Au6 121.49(18) . . ?
N12 Au4 Au5 121.28(17) . . ?
N12 Au4 Au6 60.54(17) . . ?
N12 Au4 N7 175.5(3) . . ?
Au4 Au5 Au6 59.54(3) . . ?
N8 Au5 Au4 61.09(18) . . ?
N8 Au5 Au6 120.61(18) . . ?
N9 Au5 Au4 119.1(2) . . ?
N9 Au5 Au6 59.61(19) . . ?
N9 Au5 N8 178.7(3) . . ?
Au4 Au6 Au5 59.64(4) . . ?
N10 Au6 Au4 119.1(2) . . ?
N10 Au6 Au5 60.1(2) . . ?
N10 Au6 N11 179.2(3) . . ?
N11 Au6 Au4 60.72(18) . . ?
N11 Au6 Au5 119.59(18) . . ?
Au9 Au7 Au8 59.93(3) . . ?
N13 Au7 Au8 59.9(2) . . ?
N13 Au7 Au9 119.7(2) . . ?
N18 Au7 Au8 120.5(2) . . ?
N18 Au7 Au9 60.7(2) . . ?
N18 Au7 N13 179.2(3) . . ?
Au9 Au8 Au7 59.78(2) . . ?
N14 Au8 Au7 59.7(2) . . ?
N14 Au8 Au9 119.5(2) . . ?
N15 Au8 Au7 120.3(2) . . ?
N15 Au8 Au9 60.5(2) . . ?
N15 Au8 N14 177.5(3) . . ?
Au7 Au9 Au8 60.28(2) . . ?
N16 Au9 Au7 119.81(19) . . ?
N16 Au9 Au8 59.78(19) . . ?
N16 Au9 N17 179.4(3) . . ?
N17 Au9 Au7 59.7(2) . . ?
N17 Au9 Au8 119.8(2) . . ?
Au12 Au10 Au11 60.98(3) . . ?
N35 Au10 Au11 59.3(3) . . ?
N35 Au10 Au12 120.1(3) . . ?
N37 Au10 Au11 120.4(3) . . ?
N37 Au10 Au12 59.9(3) . . ?
N37 Au10 N35 177.6(3) . . ?
Au10 Au11 Au12 59.19(2) . . ?
N36 Au11 Au10 119.4(2) . . ?
N36 Au11 Au12 60.4(2) . . ?
N40 Au11 Au10 60.9(3) . . ?
N40 Au11 Au12 120.0(3) . . ?
N40 Au11 N36 179.4(4) . . ?
Au10 Au12 Au11 59.83(2) . . ?
N38 Au12 Au10 61.3(2) . . ?
N38 Au12 Au11 121.1(2) . . ?
N38 Au12 N39 176.0(3) . . ?
N39 Au12 Au10 119.8(2) . . ?
N39 Au12 Au11 60.0(2) . . ?
N2 N1 Au1 120.0(6) . . ?
N2 N1 Au23 120.1(6) . . ?
C1 N1 Au1 131.2(7) . . ?
C1 N1 N2 108.6(8) . . ?
C1 N1 Au23 131.1(7) . . ?
N1 N2 Au2 119.6(5) . . ?
N1 N2 Au24 121.6(6) . . ?
C3 N2 Au2 131.1(7) . . ?
C3 N2 N1 109.0(8) . . ?
C3 N2 Au24 129.1(7) . . ?
N4 N3 Au2 119.3(5) . . ?
N4 N3 Au24 121.3(6) . . ?
C58 N3 Au2 132.8(6) . . ?
C58 N3 N4 107.5(7) . . ?
C58 N3 Au24 130.6(6) . . ?
N3 N4 Au3 119.0(5) . . ?
N3 N4 Au22 117.4(6) . . ?
C60 N4 Au3 131.4(6) . . ?
C60 N4 N3 109.2(7) . . ?
C60 N4 Au22 132.8(6) . . ?
N6 N5 Au3 120.4(5) . . ?
N6 N5 Au22 118.6(6) . . ?
C112 N5 Au3 129.6(6) . . ?
C112 N5 N6 109.4(7) . . ?
C112 N5 Au22 131.1(6) . . ?
N5 N6 Au1 120.0(6) . . ?
N5 N6 Au23 120.1(6) . . ?
C114 N6 Au1 131.6(6) . . ?
C114 N6 N5 108.4(7) . . ?
C114 N6 Au23 131.4(6) . . ?
N8 N7 Au4 119.6(5) . . ?
N8 N7 Au19 120.2(5) . . ?
C33 N7 Au4 132.2(5) . . ?
C33 N7 N8 108.2(6) . . ?
C33 N7 Au19 131.5(5) . . ?
N7 N8 Au5 118.7(5) . . ?
N7 N8 Au20 118.4(5) . . ?
C32 N8 Au5 134.0(5) . . ?
C32 N8 N7 107.3(6) . . ?
C32 N8 Au20 134.3(5) . . ?
N10 N9 Au5 120.2(5) . . ?
N10 N9 Au20 119.7(5) . . ?
C168 N9 Au5 131.2(6) . . ?
C168 N9 N10 108.3(7) . . ?
C168 N9 Au20 131.5(6) . . ?
N9 N10 Au6 118.7(5) . . ?
N9 N10 Au21 118.3(5) . . ?
C166 N10 Au6 131.9(6) . . ?
C166 N10 N9 108.1(6) . . ?
C166 N10 Au21 132.4(6) . . ?
N12 N11 Au6 117.4(5) . . ?
N12 N11 Au21 116.8(5) . . ?
C140 N11 Au6 133.4(5) . . ?
C140 N11 N12 109.2(6) . . ?
C140 N11 Au21 133.9(5) . . ?
N11 N12 Au4 119.5(5) . . ?
N11 N12 Au19 120.1(5) . . ?
C141 N12 Au4 131.1(5) . . ?
C141 N12 N11 107.3(6) . . ?
C141 N12 Au19 130.4(5) . . ?
N14 N13 Au7 120.4(5) . . ?
N14 N13 C51 107.6(8) . . ?
N14 N13 Au15 121.9(6) . . ?
C51 N13 Au7 131.9(7) . . ?
C51 N13 Au15 130.1(7) . . ?
N13 N14 Au8 119.4(5) . . ?
N13 N14 C50 110.3(7) . . ?
N13 N14 Au13 118.2(6) . . ?
C50 N14 Au8 129.7(7) . . ?
C50 N14 Au13 131.0(7) . . ?
N16 N15 Au8 119.1(5) . . ?
N16 N15 Au13 117.9(5) . . ?
C104 N15 Au8 131.3(6) . . ?
C104 N15 N16 109.0(7) . . ?
C104 N15 Au13 132.5(6) . . ?
N15 N16 Au9 120.1(5) . . ?
N15 N16 Au14 118.7(5) . . ?
C105 N16 Au9 131.4(6) . . ?
C105 N16 N15 108.5(7) . . ?
C105 N16 Au14 132.8(6) . . ?
N18 N17 Au9 119.3(6) . . ?
N18 N17 Au14 117.7(6) . . ?
C194 N17 Au9 129.3(6) . . ?
C194 N17 N18 111.1(7) . . ?
C194 N17 Au14 130.9(6) . . ?
N17 N18 Au7 120.2(6) . . ?
N17 N18 C195 106.3(7) . . ?
N17 N18 Au15 122.3(6) . . ?
C195 N18 Au7 133.2(6) . . ?
C195 N18 Au15 131.4(6) . . ?
C19 N19 C20 124.5(15) . . ?
C22 N20 C21 109.4(7) . . ?
C40 N20 C21 109.9(8) . . ?
C40 N20 C22 110.4(8) . . ?
C24 N21 C23 117.0(9) . . ?
C42 N22 C41 119.7(10) . . ?
C73 N23 C74 119.9(9) . . ?
C75 N24 C76 111.6(9) . . ?
C94 N24 C75 112.9(9) . . ?
C94 N24 C76 110.5(9) . . ?
C96 N25 C95 116.4(10) . . ?
C78 N26 C77 119.0(10) . . ?
C127 N27 C128 115.5(10) . . ?
C129 N28 C130 110.4(8) . . ?
C148 N28 C129 111.0(8) . . ?
C148 N28 C130 112.0(8) . . ?
C150 N29 C149 118.3(9) . . ?
C132 N30 C131 118.0(9) . . ?
C181 N31 C182 116.8(10) . . ?
C184 N32 C183 107.6(8) . . ?
C202 N32 C183 109.9(8) . . ?
C202 N32 C184 111.6(7) . . ?
C186 N33 C185 120.8(11) . . ?
C204 N34 C203 112.7(11) . . ?
N40 N35 Au10 121.4(6) . . ?
N40 N35 Au18 108.0(7) . . ?
C212 N35 Au10 128.8(8) . . ?
C212 N35 N40 109.5(8) . . ?
C212 N35 Au18 141.7(8) . . ?
N39 N36 Au11 119.5(7) . . ?
N39 N36 Au16 127.4(8) . . ?
C87 N36 Au11 132.2(7) . . ?
C87 N36 N39 108.3(8) . . ?
C87 N36 Au16 123.8(8) . . ?
N38 N37 Au10 120.2(6) . . ?
N38 N37 Au18 108.4(7) . . ?
C159 N37 Au10 129.9(7) . . ?
C159 N37 N38 109.9(8) . . ?
C159 N37 Au18 141.4(8) . . ?
N37 N38 Au12 118.1(6) . . ?
N37 N38 Au17 122.2(6) . . ?
C158 N38 Au12 133.0(7) . . ?
C158 N38 N37 108.0(8) . . ?
C158 N38 Au17 128.3(7) . . ?
N36 N39 Au12 119.3(7) . . ?
N36 N39 Au17 124.8(7) . . ?
C86 N39 Au12 131.8(6) . . ?
C86 N39 N36 107.8(8) . . ?
C86 N39 Au17 125.5(7) . . ?
N35 N40 Au11 118.3(6) . . ?
N35 N40 Au16 124.8(6) . . ?
C213 N40 Au11 133.6(8) . . ?
C213 N40 N35 107.9(9) . . ?
C213 N40 Au16 127.2(8) . . ?
N1 C1 C2 109.0(9) . . ?
N1 C1 C4 121.8(9) . . ?
C2 C1 C4 129.2(9) . . ?
C1 C2 C3 105.2(8) . . ?
C1 C2 C13 127.8(9) . . ?
C3 C2 C13 126.9(9) . . ?
N2 C3 C2 108.2(9) . . ?
N2 C3 C9 119.7(9) . . ?
C2 C3 C9 131.9(9) . . ?
C1 C4 H4A 101.6 . . ?
C1 C4 H4B 103.4 . . ?
C1 C4 C5 121.6(13) . . ?
C1 C4 C6 113.8(12) . . ?
C5 C4 H4A 101.6 . . ?
C5 C4 C6 112.7(14) . . ?
C6 C4 H4A 101.6 . . ?
C7 C4 C1 113.8(14) . . ?
C7 C4 H4B 103.4 . . ?
C7 C4 C8 119.1(15) . . ?
C8 C4 C1 111.5(13) . . ?
C8 C4 H4B 103.4 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C3 C9 H9A 109.3 . . ?
C3 C9 H9B 95.3 . . ?
C3 C9 C10 108.0(16) . . ?
C10 C9 H9A 109.3 . . ?
C11 C9 C3 113.4(12) . . ?
C11 C9 H9A 109.3 . . ?
C11 C9 H9B 95.3 . . ?
C11 C9 C10 107.3(15) . . ?
C11 C9 C12 129.9(15) . . ?
C12 C9 C3 114.0(14) . . ?
C12 C9 H9B 95.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C2 121.8(6) . . ?
C18 C13 C14 120.0 . . ?
C14 C13 C2 118.2(6) . . ?
C13 C18 H18 120.0 . . ?
C13 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 C19 125.4(9) . . ?
C15 C16 C19 114.6(9) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
N19 C19 C16 127.9(17) . . ?
N19 C19 H19 116.1 . . ?
C16 C19 H19 116.1 . . ?
N19 C20 H20A 109.0 . . ?
N19 C20 H20B 109.0 . . ?
N19 C20 C21 112.7(9) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
N20 C21 C20 112.5(8) . . ?
N20 C21 H21A 109.1 . . ?
N20 C21 H21B 109.1 . . ?
C20 C21 H21A 109.1 . . ?
C20 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
N20 C22 H22A 109.2 . . ?
N20 C22 H22B 109.2 . . ?
N20 C22 C23 111.9(8) . . ?
H22A C22 H22B 107.9 . . ?
C23 C22 H22A 109.2 . . ?
C23 C22 H22B 109.2 . . ?
N21 C23 C22 112.1(8) . . ?
N21 C23 H23A 109.2 . . ?
N21 C23 H23B 109.2 . . ?
C22 C23 H23A 109.2 . . ?
C22 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
N21 C24 H24 119.0 . . ?
N21 C24 C25 122.0(9) . . ?
C25 C24 H24 119.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 C31 120.1(5) . . ?
C29 C28 C31 119.8(5) . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C25 C24 121.3(5) . . ?
C26 C25 C30 120.0 . . ?
C30 C25 C24 118.7(5) . . ?
C25 C30 H30 120.0 . . ?
C25 C30 C29 120.0 . . ?
C29 C30 H30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C32 C31 C28 124.2(7) . . ?
C33 C31 C28 130.9(7) . . ?
C33 C31 C32 104.9(7) . . ?
N8 C32 C31 109.7(7) . . ?
N8 C32 C38 124.0(7) . . ?
C31 C32 C38 126.2(7) . . ?
N7 C33 C31 109.8(7) . . ?
N7 C33 C34 118.3(7) . . ?
C31 C33 C34 131.6(7) . . ?
C33 C34 H34 107.6 . . ?
C33 C34 C35 110.4(8) . . ?
C35 C34 H34 107.6 . . ?
C36 C34 C33 111.2(9) . . ?
C36 C34 H34 107.6 . . ?
C36 C34 C35 112.3(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
C38 C37 H37C 109.5 . . ?
C32 C38 C37 112.6(7) . . ?
C32 C38 H38 107.6 . . ?
C32 C38 C39 110.0(8) . . ?
C37 C38 H38 107.6 . . ?
C37 C38 C39 111.3(8) . . ?
C39 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N20 C40 H40A 108.8 . . ?
N20 C40 H40B 108.8 . . ?
N20 C40 C41 113.6(9) . . ?
H40A C40 H40B 107.7 . . ?
C41 C40 H40A 108.8 . . ?
C41 C40 H40B 108.8 . . ?
N22 C41 C40 110.9(9) . . ?
N22 C41 H41A 109.5 . . ?
N22 C41 H41B 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 108.0 . . ?
N22 C42 H42 117.9 . . ?
N22 C42 C43 124.2(10) . . ?
C43 C42 H42 117.9 . . ?
C300 C46 C45 120.0 . . ?
C300 C46 C49 119.4(5) . . ?
C45 C46 C49 120.6(5) . . ?
C46 C300 H300 120.0 . . ?
C48 C300 C46 120.0 . . ?
C48 C300 H300 120.0 . . ?
C300 C48 H48 120.0 . . ?
C300 C48 C43 120.0 . . ?
C43 C48 H48 120.0 . . ?
C48 C43 C42 121.0(6) . . ?
C44 C43 C42 119.0(6) . . ?
C44 C43 C48 120.0 . . ?
C43 C44 H44 120.0 . . ?
C43 C44 C45 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 H45 120.0 . . ?
C44 C45 C46 120.0 . . ?
C44 C45 H45 120.0 . . ?
C50 C49 C46 127.3(9) . . ?
C50 C49 C51 105.9(8) . . ?
C51 C49 C46 126.8(8) . . ?
N14 C50 C49 107.6(9) . . ?
N14 C50 C52 121.4(8) . . ?
C49 C50 C52 131.0(8) . . ?
N13 C51 C49 108.6(8) . . ?
N13 C51 C55 119.2(9) . . ?
C49 C51 C55 132.1(8) . . ?
C50 C52 H52 105.5 . . ?
C53 C52 C50 112.1(10) . . ?
C53 C52 H52 105.5 . . ?
C53 C52 C54 115.2(12) . . ?
C54 C52 C50 112.0(11) . . ?
C54 C52 H52 105.5 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C55 H55 107.2 . . ?
C51 C55 C56 113.1(9) . . ?
C51 C55 C57 110.1(11) . . ?
C56 C55 H55 107.2 . . ?
C56 C55 C57 111.8(10) . . ?
C57 C55 H55 107.2 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N3 C58 C59 108.7(8) . . ?
N3 C58 C61 122.4(8) . . ?
C59 C58 C61 128.8(9) . . ?
C58 C59 C60 106.7(8) . . ?
C58 C59 C67 126.1(9) . . ?
C60 C59 C67 127.1(8) . . ?
N4 C60 C59 107.9(8) . . ?
N4 C60 C64 122.3(9) . . ?
C59 C60 C64 129.7(9) . . ?
C58 C61 H61 106.3 . . ?
C62 C61 C58 111.9(9) . . ?
C62 C61 H61 106.3 . . ?
C63 C61 C58 112.4(10) . . ?
C63 C61 H61 106.3 . . ?
C63 C61 C62 113.1(10) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 H64 103.5 . . ?
C60 C64 C65 111.4(8) . . ?
C65 C64 H64 103.5 . . ?
C66 C64 C60 116.2(10) . . ?
C66 C64 H64 103.5 . . ?
C66 C64 C65 116.6(10) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 C59 120.2(9) . . ?
C68 C67 C72 116.9(9) . . ?
C72 C67 C59 122.6(9) . . ?
C67 C68 H68 118.6 . . ?
C67 C68 C69 122.8(10) . . ?
C69 C68 H68 118.6 . . ?
C68 C69 H69 119.7 . . ?
C70 C69 C68 120.7(9) . . ?
C70 C69 H69 119.7 . . ?
C69 C70 C71 116.8(9) . . ?
C69 C70 C73 121.8(9) . . ?
C71 C70 C73 121.4(9) . . ?
C70 C71 H71 119.0 . . ?
C72 C71 C70 122.0(10) . . ?
C72 C71 H71 119.0 . . ?
C67 C72 H72 119.8 . . ?
C71 C72 C67 120.4(10) . . ?
C71 C72 H72 119.8 . . ?
N23 C73 C70 123.0(9) . . ?
N23 C73 H73 118.5 . . ?
C70 C73 H73 118.5 . . ?
N23 C74 H74A 109.8 . . ?
N23 C74 H74B 109.8 . . ?
N23 C74 C75 109.3(9) . . ?
H74A C74 H74B 108.3 . . ?
C75 C74 H74A 109.8 . . ?
C75 C74 H74B 109.8 . . ?
N24 C75 C74 113.7(9) . . ?
N24 C75 H75A 108.8 . . ?
N24 C75 H75B 108.8 . . ?
C74 C75 H75A 108.8 . . ?
C74 C75 H75B 108.8 . . ?
H75A C75 H75B 107.7 . . ?
N24 C76 H76A 109.2 . . ?
N24 C76 H76B 109.2 . . ?
N24 C76 C77 112.1(9) . . ?
H76A C76 H76B 107.9 . . ?
C77 C76 H76A 109.2 . . ?
C77 C76 H76B 109.2 . . ?
N26 C77 C76 110.0(10) . . ?
N26 C77 H77A 109.7 . . ?
N26 C77 H77B 109.7 . . ?
C76 C77 H77A 109.7 . . ?
C76 C77 H77B 109.7 . . ?
H77A C77 H77B 108.2 . . ?
N26 C78 H78 119.1 . . ?
N26 C78 C79 121.9(10) . . ?
C79 C78 H78 119.1 . . ?
C80 C79 C78 120.4(9) . . ?
C80 C79 C84 119.2(10) . . ?
C84 C79 C78 120.3(10) . . ?
C79 C80 H80 119.6 . . ?
C79 C80 C81 120.8(9) . . ?
C81 C80 H80 119.6 . . ?
C80 C81 H81 119.6 . . ?
C82 C81 C80 120.8(10) . . ?
C82 C81 H81 119.6 . . ?
C81 C82 C83 117.1(10) . . ?
C81 C82 C85 122.0(10) . . ?
C83 C82 C85 120.8(9) . . ?
C82 C83 H83 118.9 . . ?
C84 C83 C82 122.2(9) . . ?
C84 C83 H83 118.9 . . ?
C79 C84 H84 120.1 . . ?
C83 C84 C79 119.7(11) . . ?
C83 C84 H84 120.1 . . ?
C86 C85 C82 126.9(9) . . ?
C86 C85 C87 105.3(10) . . ?
C87 C85 C82 127.8(9) . . ?
N39 C86 C85 109.8(9) . . ?
N39 C86 C88 118.8(9) . . ?
N39 C86 Au17 29.9(5) . . ?
C85 C86 C88 131.4(10) . . ?
C85 C86 Au17 138.5(7) . . ?
C88 C86 Au17 89.5(7) . . ?
N36 C87 C85 108.8(9) . . ?
N36 C87 C91 120.3(9) . . ?
N36 C87 Au16 31.8(5) . . ?
C85 C87 C91 130.9(11) . . ?
C85 C87 Au16 140.3(8) . . ?
C91 C87 Au16 88.6(7) . . ?
C86 C88 H88 106.6 . . ?
C86 C88 C90 110.5(8) . . ?
C89 C88 C86 113.7(9) . . ?
C89 C88 H88 106.6 . . ?
C89 C88 C90 112.3(9) . . ?
C90 C88 H88 106.6 . . ?
C88 C89 H89A 109.5 . . ?
C88 C89 H89B 109.5 . . ?
C88 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C88 C90 H90A 109.5 . . ?
C88 C90 H90B 109.5 . . ?
C88 C90 H90C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C87 C91 H91 106.9 . . ?
C92 C91 C87 111.7(11) . . ?
C92 C91 H91 106.9 . . ?
C92 C91 C93 111.6(12) . . ?
C93 C91 C87 112.5(9) . . ?
C93 C91 H91 106.9 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92B 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C91 C93 H93A 109.5 . . ?
C91 C93 H93B 109.5 . . ?
C91 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
N24 C94 H94A 109.0 . . ?
N24 C94 H94B 109.0 . . ?
N24 C94 C95 113.1(9) . . ?
H94A C94 H94B 107.8 . . ?
C95 C94 H94A 109.0 . . ?
C95 C94 H94B 109.0 . . ?
N25 C95 C94 108.0(10) . . ?
N25 C95 H95A 110.1 . . ?
N25 C95 H95B 110.1 . . ?
C94 C95 H95A 110.1 . . ?
C94 C95 H95B 110.1 . . ?
H95A C95 H95B 108.4 . . ?
N25 C96 H96 119.4 . . ?
N25 C96 C97 121.1(10) . . ?
C97 C96 H96 119.4 . . ?
C98 C97 C96 118.6(9) . . ?
C102 C97 C96 123.5(9) . . ?
C102 C97 C98 117.9(9) . . ?
C97 C98 H98 119.7 . . ?
C99 C98 C97 120.7(9) . . ?
C99 C98 H98 119.7 . . ?
C98 C99 H99 119.6 . . ?
C98 C99 C100 120.7(9) . . ?
C100 C99 H99 119.6 . . ?
C99 C100 C103 118.5(8) . . ?
C101 C100 C99 117.9(9) . . ?
C101 C100 C103 123.5(8) . . ?
C100 C101 H101 119.4 . . ?
C100 C101 C102 121.3(10) . . ?
C102 C101 H101 119.4 . . ?
C97 C102 C101 121.5(9) . . ?
C97 C102 H102 119.3 . . ?
C101 C102 H102 119.3 . . ?
C104 C103 C100 126.8(8) . . ?
C105 C103 C100 127.0(8) . . ?
C105 C103 C104 106.0(8) . . ?
N15 C104 C103 107.6(8) . . ?
N15 C104 C106 123.3(8) . . ?
C103 C104 C106 129.1(8) . . ?
N16 C105 C103 109.0(7) . . ?
N16 C105 C109 124.4(8) . . ?
C103 C105 C109 126.5(8) . . ?
C104 C106 H106 105.5 . . ?
C104 C106 C107 113.2(8) . . ?
C104 C106 C108 113.4(8) . . ?
C107 C106 H106 105.5 . . ?
C108 C106 H106 105.5 . . ?
C108 C106 C107 112.8(8) . . ?
C106 C107 H10D 109.5 . . ?
C106 C107 H10E 109.5 . . ?
C106 C107 H10F 109.5 . . ?
H10D C107 H10E 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C106 C108 H10G 109.5 . . ?
C106 C108 H10H 109.5 . . ?
C106 C108 H10I 109.5 . . ?
H10G C108 H10H 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C105 C109 H109 107.1 . . ?
C105 C109 C110 111.6(7) . . ?
C105 C109 C111 112.3(7) . . ?
C110 C109 H109 107.1 . . ?
C111 C109 H109 107.1 . . ?
C111 C109 C110 111.3(8) . . ?
C109 C110 H11D 109.5 . . ?
C109 C110 H11E 109.5 . . ?
C109 C110 H11F 109.5 . . ?
H11D C110 H11E 109.5 . . ?
H11D C110 H11F 109.5 . . ?
H11E C110 H11F 109.5 . . ?
C109 C111 H11G 109.5 . . ?
C109 C111 H11H 109.5 . . ?
C109 C111 H11I 109.5 . . ?
H11G C111 H11H 109.5 . . ?
H11G C111 H11I 109.5 . . ?
H11H C111 H11I 109.5 . . ?
N5 C112 C113 107.3(8) . . ?
N5 C112 C115 121.9(8) . . ?
C113 C112 C115 130.7(9) . . ?
C112 C113 C121 125.6(9) . . ?
C114 C113 C112 107.0(9) . . ?
C114 C113 C121 127.1(9) . . ?
N6 C114 C113 107.8(8) . . ?
N6 C114 C118 123.3(9) . . ?
C113 C114 C118 128.8(10) . . ?
C112 C115 H115 105.2 . . ?
C112 C115 C116 113.5(9) . . ?
C112 C115 C117 114.1(8) . . ?
C116 C115 H115 105.2 . . ?
C117 C115 H115 105.2 . . ?
C117 C115 C116 112.6(9) . . ?
C115 C116 H11J 109.5 . . ?
C115 C116 H11K 109.5 . . ?
C115 C116 H11L 109.5 . . ?
H11J C116 H11K 109.5 . . ?
H11J C116 H11L 109.5 . . ?
H11K C116 H11L 109.5 . . ?
C115 C117 H11M 109.5 . . ?
C115 C117 H11N 109.5 . . ?
C115 C117 H11O 109.5 . . ?
H11M C117 H11N 109.5 . . ?
H11M C117 H11O 109.5 . . ?
H11N C117 H11O 109.5 . . ?
C114 C118 H118 99.5 . . ?
C119 C118 C114 116.4(10) . . ?
C119 C118 H118 99.5 . . ?
C119 C118 C120 120.7(10) . . ?
C120 C118 C114 115.0(9) . . ?
C120 C118 H118 99.5 . . ?
C118 C119 H11P 109.5 . . ?
C118 C119 H11Q 109.5 . . ?
C118 C119 H11R 109.5 . . ?
H11P C119 H11Q 109.5 . . ?
H11P C119 H11R 109.5 . . ?
H11Q C119 H11R 109.5 . . ?
C118 C120 H12D 109.5 . . ?
C118 C120 H12E 109.5 . . ?
C118 C120 H12F 109.5 . . ?
H12D C120 H12E 109.5 . . ?
H12D C120 H12F 109.5 . . ?
H12E C120 H12F 109.5 . . ?
C126 C121 C113 122.7(6) . . ?
C126 C121 C122 120.0 . . ?
C122 C121 C113 117.3(6) . . ?
C121 C126 H126 120.0 . . ?
C121 C126 C125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C126 C125 H125 120.0 . . ?
C124 C125 C126 120.0 . . ?
C124 C125 H125 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 C127 121.7(7) . . ?
C123 C124 C127 118.2(7) . . ?
C124 C123 H123 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C121 C122 H122 120.0 . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
N27 C127 C124 121.0(11) . . ?
N27 C127 H127 119.5 . . ?
C124 C127 H127 119.5 . . ?
N27 C128 H12G 109.6 . . ?
N27 C128 H12H 109.6 . . ?
H12G C128 H12H 108.1 . . ?
C129 C128 N27 110.1(9) . . ?
C129 C128 H12G 109.6 . . ?
C129 C128 H12H 109.6 . . ?
N28 C129 C128 113.9(9) . . ?
N28 C129 H12I 108.8 . . ?
N28 C129 H12J 108.8 . . ?
C128 C129 H12I 108.8 . . ?
C128 C129 H12J 108.8 . . ?
H12I C129 H12J 107.7 . . ?
N28 C130 H13A 108.9 . . ?
N28 C130 H13B 108.9 . . ?
N28 C130 C131 113.5(8) . . ?
H13A C130 H13B 107.7 . . ?
C131 C130 H13A 108.9 . . ?
C131 C130 H13B 108.9 . . ?
N30 C131 C130 110.5(8) . . ?
N30 C131 H13C 109.6 . . ?
N30 C131 H13D 109.6 . . ?
C130 C131 H13C 109.6 . . ?
C130 C131 H13D 109.6 . . ?
H13C C131 H13D 108.1 . . ?
N30 C132 H132 119.4 . . ?
N30 C132 C133 121.1(9) . . ?
C133 C132 H132 119.4 . . ?
C134 C133 C132 122.7(9) . . ?
C138 C133 C132 118.5(9) . . ?
C138 C133 C134 118.8(8) . . ?
C133 C134 H134 119.1 . . ?
C135 C134 C133 121.8(9) . . ?
C135 C134 H134 119.1 . . ?
C134 C135 H135 119.6 . . ?
C134 C135 C136 120.9(8) . . ?
C136 C135 H135 119.6 . . ?
C135 C136 C139 122.1(7) . . ?
C137 C136 C135 117.1(8) . . ?
C137 C136 C139 120.7(8) . . ?
C136 C137 H137 119.7 . . ?
C138 C137 C136 120.6(9) . . ?
C138 C137 H137 119.7 . . ?
C133 C138 C137 120.8(9) . . ?
C133 C138 H138 119.6 . . ?
C137 C138 H138 119.6 . . ?
C140 C139 C136 127.8(7) . . ?
C141 C139 C136 125.8(7) . . ?
C141 C139 C140 106.4(7) . . ?
N11 C140 C139 108.2(6) . . ?
N11 C140 C142 117.2(7) . . ?
C139 C140 C142 134.6(7) . . ?
N12 C141 C139 108.9(6) . . ?
N12 C141 C145 122.3(7) . . ?
C139 C141 C145 128.8(7) . . ?
C140 C142 H142 107.4 . . ?
C140 C142 C143 110.5(7) . . ?
C140 C142 C144 112.2(7) . . ?
C143 C142 H142 107.4 . . ?
C144 C142 H142 107.4 . . ?
C144 C142 C143 111.5(7) . . ?
C142 C143 H14A 109.5 . . ?
C142 C143 H14B 109.5 . . ?
C142 C143 H14C 109.5 . . ?
H14A C143 H14B 109.5 . . ?
H14A C143 H14C 109.5 . . ?
H14B C143 H14C 109.5 . . ?
C142 C144 H14D 109.5 . . ?
C142 C144 H14E 109.5 . . ?
C142 C144 H14F 109.5 . . ?
H14D C144 H14E 109.5 . . ?
H14D C144 H14F 109.5 . . ?
H14E C144 H14F 109.5 . . ?
C141 C145 H145 107.6 . . ?
C141 C145 C146 111.0(7) . . ?
C141 C145 C147 111.4(7) . . ?
C146 C145 H145 107.6 . . ?
C146 C145 C147 111.5(7) . . ?
C147 C145 H145 107.6 . . ?
C145 C146 H14G 109.5 . . ?
C145 C146 H14H 109.5 . . ?
C145 C146 H14I 109.5 . . ?
H14G C146 H14H 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
C145 C147 H14J 109.5 . . ?
C145 C147 H14K 109.5 . . ?
C145 C147 H14L 109.5 . . ?
H14J C147 H14K 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
N28 C148 H14M 108.7 . . ?
N28 C148 H14N 108.7 . . ?
N28 C148 C149 114.2(9) . . ?
H14M C148 H14N 107.6 . . ?
C149 C148 H14M 108.7 . . ?
C149 C148 H14N 108.7 . . ?
N29 C149 C148 111.4(8) . . ?
N29 C149 H14O 109.4 . . ?
N29 C149 H14P 109.4 . . ?
C148 C149 H14O 109.4 . . ?
C148 C149 H14P 109.4 . . ?
H14O C149 H14P 108.0 . . ?
N29 C150 H150 118.9 . . ?
N29 C150 C151 122.2(9) . . ?
C151 C150 H150 118.9 . . ?
C152 C151 C150 120.0(9) . . ?
C156 C151 C150 120.6(9) . . ?
C156 C151 C152 119.5(9) . . ?
C151 C152 H152 119.8 . . ?
C153 C152 C151 120.3(10) . . ?
C153 C152 H152 119.8 . . ?
C152 C153 H153 119.8 . . ?
C152 C153 C154 120.4(9) . . ?
C154 C153 H153 119.8 . . ?
C153 C154 C157 120.3(8) . . ?
C155 C154 C153 117.1(9) . . ?
C155 C154 C157 122.3(9) . . ?
C154 C155 H155 119.6 . . ?
C154 C155 C156 120.9(9) . . ?
C156 C155 H155 119.6 . . ?
C151 C156 C155 121.6(9) . . ?
C151 C156 H156 119.2 . . ?
C155 C156 H156 119.2 . . ?
C154 C157 C158 125.7(9) . . ?
C159 C157 C154 129.6(10) . . ?
C159 C157 C158 104.5(8) . . ?
N38 C158 C157 108.6(9) . . ?
N38 C158 C160 121.8(10) . . ?
C157 C158 C160 129.6(9) . . ?
N37 C159 C157 109.1(9) . . ?
N37 C159 C163 123.1(9) . . ?
C157 C159 C163 127.7(9) . . ?
C158 C160 H160 104.9 . . ?
C158 C160 C161 113.6(9) . . ?
C158 C160 C162 113.6(9) . . ?
C161 C160 H160 104.9 . . ?
C162 C160 H160 104.9 . . ?
C162 C160 C161 113.7(10) . . ?
C160 C161 H16A 109.5 . . ?
C160 C161 H16B 109.5 . . ?
C160 C161 H16C 109.5 . . ?
H16A C161 H16B 109.5 . . ?
H16A C161 H16C 109.5 . . ?
H16B C161 H16C 109.5 . . ?
C160 C162 H16D 109.5 . . ?
C160 C162 H16E 109.5 . . ?
C160 C162 H16F 109.5 . . ?
H16D C162 H16E 109.5 . . ?
H16D C162 H16F 109.5 . . ?
H16E C162 H16F 109.5 . . ?
C159 C163 H163 106.8 . . ?
C159 C163 C164 111.0(9) . . ?
C159 C163 C165 113.4(10) . . ?
C164 C163 H163 106.8 . . ?
C165 C163 H163 106.8 . . ?
C165 C163 C164 111.7(9) . . ?
C163 C164 H16G 109.5 . . ?
C163 C164 H16H 109.5 . . ?
C163 C164 H16I 109.5 . . ?
H16G C164 H16H 109.5 . . ?
H16G C164 H16I 109.5 . . ?
H16H C164 H16I 109.5 . . ?
C163 C165 H16J 109.5 . . ?
C163 C165 H16K 109.5 . . ?
C163 C165 H16L 109.5 . . ?
H16J C165 H16K 109.5 . . ?
H16J C165 H16L 109.5 . . ?
H16K C165 H16L 109.5 . . ?
N10 C166 C167 108.9(8) . . ?
N10 C166 C169 123.2(8) . . ?
C167 C166 C169 127.9(7) . . ?
C166 C167 C175 124.4(8) . . ?
C168 C167 C166 105.6(7) . . ?
C168 C167 C175 129.9(8) . . ?
N9 C168 C167 109.0(8) . . ?
N9 C168 C172 118.5(7) . . ?
C167 C168 C172 132.5(7) . . ?
C166 C169 H169 107.3 . . ?
C166 C169 C170 111.9(8) . . ?
C170 C169 H169 107.3 . . ?
C171 C169 C166 112.8(10) . . ?
C171 C169 H169 107.3 . . ?
C171 C169 C170 109.8(10) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
C169 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C168 C172 H172 106.1 . . ?
C168 C172 C173 114.1(8) . . ?
C168 C172 C174 111.7(7) . . ?
C173 C172 H172 106.1 . . ?
C173 C172 C174 112.0(8) . . ?
C174 C172 H172 106.1 . . ?
C172 C173 H17G 109.5 . . ?
C172 C173 H17H 109.5 . . ?
C172 C173 H17I 109.5 . . ?
H17G C173 H17H 109.5 . . ?
H17G C173 H17I 109.5 . . ?
H17H C173 H17I 109.5 . . ?
C172 C174 H17J 109.5 . . ?
C172 C174 H17K 109.5 . . ?
C172 C174 H17L 109.5 . . ?
H17J C174 H17K 109.5 . . ?
H17J C174 H17L 109.5 . . ?
H17K C174 H17L 109.5 . . ?
C180 C175 C167 120.4(5) . . ?
C180 C175 C176 120.0 . . ?
C176 C175 C167 119.4(5) . . ?
C175 C180 H180 120.0 . . ?
C175 C180 C179 120.0 . . ?
C179 C180 H180 120.0 . . ?
C180 C179 H179 120.0 . . ?
C178 C179 C180 120.0 . . ?
C178 C179 H179 120.0 . . ?
C179 C178 C177 120.0 . . ?
C179 C178 C181 119.3(6) . . ?
C177 C178 C181 120.6(6) . . ?
C178 C177 H177 120.0 . . ?
C176 C177 C178 120.0 . . ?
C176 C177 H177 120.0 . . ?
C175 C176 H176 120.0 . . ?
C177 C176 C175 120.0 . . ?
C177 C176 H176 120.0 . . ?
N31 C181 C178 123.5(9) . . ?
N31 C181 H181 118.2 . . ?
C178 C181 H181 118.2 . . ?
N31 C182 H18A 109.5 . . ?
N31 C182 H18B 109.5 . . ?
N31 C182 C183 110.6(9) . . ?
H18A C182 H18B 108.1 . . ?
C183 C182 H18A 109.5 . . ?
C183 C182 H18B 109.5 . . ?
N32 C183 C182 110.2(9) . . ?
N32 C183 H18C 109.6 . . ?
N32 C183 H18D 109.6 . . ?
C182 C183 H18C 109.6 . . ?
C182 C183 H18D 109.6 . . ?
H18C C183 H18D 108.1 . . ?
N32 C184 H18E 108.8 . . ?
N32 C184 H18F 108.8 . . ?
N32 C184 C185 113.9(8) . . ?
H18E C184 H18F 107.7 . . ?
C185 C184 H18E 108.8 . . ?
C185 C184 H18F 108.8 . . ?
N33 C185 C184 114.1(9) . . ?
N33 C185 H18G 108.7 . . ?
N33 C185 H18H 108.7 . . ?
C184 C185 H18G 108.7 . . ?
C184 C185 H18H 108.7 . . ?
H18G C185 H18H 107.6 . . ?
N33 C186 H186 119.1 . . ?
N33 C186 C187 121.7(13) . . ?
C187 C186 H186 119.1 . . ?
C191 C190 C189 120.0 . . ?
C191 C190 C193 119.1(6) . . ?
C189 C190 C193 120.9(6) . . ?
C190 C191 H191 120.0 . . ?
C190 C191 C192 120.0 . . ?
C192 C191 H191 120.0 . . ?
C191 C192 H192 120.0 . . ?
C187 C192 C191 120.0 . . ?
C187 C192 H192 120.0 . . ?
C192 C187 C186 113.7(8) . . ?
C192 C187 C188 120.0 . . ?
C188 C187 C186 126.3(8) . . ?
C187 C188 H188 120.0 . . ?
C189 C188 C187 120.0 . . ?
C189 C188 H188 120.0 . . ?
C190 C189 H189 120.0 . . ?
C188 C189 C190 120.0 . . ?
C188 C189 H189 120.0 . . ?
C194 C193 C190 129.7(8) . . ?
C194 C193 C195 105.6(8) . . ?
C195 C193 C190 124.5(8) . . ?
N17 C194 C193 107.5(8) . . ?
N17 C194 C196 122.3(8) . . ?
C193 C194 C196 130.2(9) . . ?
N18 C195 C193 109.5(8) . . ?
N18 C195 C199 123.5(8) . . ?
C193 C195 C199 127.0(9) . . ?
C194 C196 H196 107.3 . . ?
C194 C196 C198 111.2(9) . . ?
C197 C196 C194 112.1(10) . . ?
C197 C196 H196 107.3 . . ?
C197 C196 C198 111.3(10) . . ?
C198 C196 H196 107.3 . . ?
C196 C197 H19A 109.5 . . ?
C196 C197 H19B 109.5 . . ?
C196 C197 H19C 109.5 . . ?
H19A C197 H19B 109.5 . . ?
H19A C197 H19C 109.5 . . ?
H19B C197 H19C 109.5 . . ?
C196 C198 H19D 109.5 . . ?
C196 C198 H19E 109.5 . . ?
C196 C198 H19F 109.5 . . ?
H19D C198 H19E 109.5 . . ?
H19D C198 H19F 109.5 . . ?
H19E C198 H19F 109.5 . . ?
C195 C199 H199 106.5 . . ?
C195 C199 C200 112.9(9) . . ?
C195 C199 C201 112.3(9) . . ?
C200 C199 H199 106.5 . . ?
C201 C199 H199 106.5 . . ?
C201 C199 C200 111.6(10) . . ?
C199 C200 H20C 109.5 . . ?
C199 C200 H20D 109.5 . . ?
C199 C200 H20E 109.5 . . ?
H20C C200 H20D 109.5 . . ?
H20C C200 H20E 109.5 . . ?
H20D C200 H20E 109.5 . . ?
C199 C201 H20F 109.5 . . ?
C199 C201 H20G 109.5 . . ?
C199 C201 H20H 109.5 . . ?
H20F C201 H20G 109.5 . . ?
H20F C201 H20H 109.5 . . ?
H20G C201 H20H 109.5 . . ?
N32 C202 H20I 109.0 . . ?
N32 C202 H20J 109.0 . . ?
N32 C202 C203 113.1(9) . . ?
H20I C202 H20J 107.8 . . ?
C203 C202 H20I 109.0 . . ?
C203 C202 H20J 109.0 . . ?
N34 C203 C202 110.3(9) . . ?
N34 C203 H20K 109.6 . . ?
N34 C203 H20L 109.6 . . ?
C202 C203 H20K 109.6 . . ?
C202 C203 H20L 109.6 . . ?
H20K C203 H20L 108.1 . . ?
N34 C204 H204 120.3 . . ?
N34 C204 C205 119.3(12) . . ?
C205 C204 H204 120.3 . . ?
C209 C208 C207 120.0 . . ?
C209 C208 C211 120.5(6) . . ?
C207 C208 C211 119.5(6) . . ?
C208 C209 H209 120.0 . . ?
C208 C209 C210 120.0 . . ?
C210 C209 H209 120.0 . . ?
C209 C210 H210 120.0 . . ?
C209 C210 C205 120.0 . . ?
C205 C210 H210 120.0 . . ?
C210 C205 C204 123.2(7) . . ?
C206 C205 C204 116.8(7) . . ?
C206 C205 C210 120.0 . . ?
C205 C206 H206 120.0 . . ?
C205 C206 C207 120.0 . . ?
C207 C206 H206 120.0 . . ?
C208 C207 H207 120.0 . . ?
C206 C207 C208 120.0 . . ?
C206 C207 H207 120.0 . . ?
C212 C211 C208 127.6(10) . . ?
C213 C211 C208 125.3(9) . . ?
C213 C211 C212 106.8(9) . . ?
N35 C212 C211 106.3(10) . . ?
N35 C212 C214 120.8(9) . . ?
C211 C212 C214 132.9(10) . . ?
N40 C213 C217 120.7(10) . . ?
C211 C213 N40 109.5(10) . . ?
C211 C213 C217 129.7(9) . . ?
C212 C214 H214 107.5 . . ?
C212 C214 C215 112.3(11) . . ?
C212 C214 C216 110.5(12) . . ?
C215 C214 H214 107.5 . . ?
C216 C214 H214 107.5 . . ?
C216 C214 C215 111.3(13) . . ?
C214 C215 H21C 109.5 . . ?
C214 C215 H21D 109.5 . . ?
C214 C215 H21E 109.5 . . ?
H21C C215 H21D 109.5 . . ?
H21C C215 H21E 109.5 . . ?
H21D C215 H21E 109.5 . . ?
C214 C216 H21F 109.5 . . ?
C214 C216 H21G 109.5 . . ?
C214 C216 H21H 109.5 . . ?
H21F C216 H21G 109.5 . . ?
H21F C216 H21H 109.5 . . ?
H21G C216 H21H 109.5 . . ?
C213 C217 H217 106.1 . . ?
C218 C217 C213 113.8(11) . . ?
C218 C217 H217 106.1 . . ?
C218 C217 C219 111.1(11) . . ?
C219 C217 C213 112.9(11) . . ?
C219 C217 H217 106.1 . . ?
C217 C218 H21I 109.5 . . ?
C217 C218 H21J 109.5 . . ?
C217 C218 H21K 109.5 . . ?
H21I C218 H21J 109.5 . . ?
H21I C218 H21K 109.5 . . ?
H21J C218 H21K 109.5 . . ?
C217 C219 H21L 109.5 . . ?
C217 C219 H21M 109.5 . . ?
C217 C219 H21N 109.5 . . ?
H21L C219 H21M 109.5 . . ?
H21L C219 H21N 109.5 . . ?
H21M C219 H21N 109.5 . . ?
Cl1 C361 Cl4 109.8(7) . . ?
Cl1 C361 Cl6 108.0(7) . . ?
Cl1 C361 D361 108.9 . . ?
Cl4 C361 Cl6 112.2(7) . . ?
Cl4 C361 D361 108.9 . . ?
Cl6 C361 D361 108.9 . . ?
Cl5 C362 D362 107.1 . . ?
Cl8 C362 Cl5 110.3(10) . . ?
Cl8 C362 D362 107.1 . . ?
Cl9 C362 Cl5 110.5(9) . . ?
Cl9 C362 Cl8 114.5(10) . . ?
Cl9 C362 D362 107.1 . . ?
C303 C301 C311 104.7(12) . . ?
C312 C301 C303 125.7(14) . . ?
C312 C301 C311 117.8(14) . . ?
C303 C302 C304 130.5(13) . . ?
C303 C302 C305 111.0(13) . . ?
C305 C302 C304 104.5(11) . . ?
C302 C303 C301 125.4(14) . . ?
C302 C303 C306 114.3(13) . . ?
C306 C303 C301 109.5(12) . . ?
C302 C304 C307 108.9(11) . . ?
C308 C304 C302 112.6(12) . . ?
C308 C304 C307 126.9(13) . . ?
C302 C305 C310 112.7(11) . . ?
C309 C305 C302 120.8(13) . . ?
C309 C305 C310 116.0(12) . . ?
C303 C306 C314 116.7(13) . . ?
C313 C306 C303 108.9(12) . . ?
C313 C306 C314 122.5(13) . . ?
C310 C307 C304 109.7(11) . . ?
C315 C307 C304 119.9(12) . . ?
C315 C307 C310 119.4(12) . . ?
C304 C308 C314 118.7(13) . . ?
C304 C308 C316 108.8(12) . . ?
C314 C308 C316 117.8(12) . . ?
C305 C309 C312 130.4(14) . . ?
C305 C309 C317 120.9(13) . . ?
C312 C309 C317 96.7(12) . . ?
C307 C310 C305 104.2(11) . . ?
C307 C310 C318 119.8(12) . . ?
C318 C310 C305 121.6(12) . . ?
C313 C311 C301 111.3(13) . . ?
C319 C311 C301 122.7(14) . . ?
C319 C311 C313 116.1(14) . . ?
C301 C312 C320 122.1(14) . . ?
C309 C312 C301 106.3(13) . . ?
C309 C312 C320 116.6(13) . . ?
C306 C313 C311 105.5(12) . . ?
C321 C313 C306 114.0(13) . . ?
C321 C313 C311 128.1(13) . . ?
C306 C314 C308 126.3(13) . . ?
C322 C314 C306 122.3(13) . . ?
C322 C314 C308 99.4(11) . . ?
C307 C315 C323 120.2(12) . . ?
C307 C315 C324 117.1(12) . . ?
C323 C315 C324 110.9(11) . . ?
C324 C316 C308 128.9(13) . . ?
C324 C316 C325 122.0(13) . . ?
C325 C316 C308 100.1(11) . . ?
C309 C317 C327 117.5(13) . . ?
C326 C317 C309 124.3(14) . . ?
C326 C317 C327 107.2(14) . . ?
C310 C318 C328 121.5(12) . . ?
C326 C318 C310 123.0(13) . . ?
C326 C318 C328 105.3(11) . . ?
C311 C319 C329 115.5(14) . . ?
C311 C319 C330 116.6(14) . . ?
C330 C319 C329 114.9(13) . . ?
C327 C320 C312 104.9(12) . . ?
C327 C320 C330 127.4(14) . . ?
C330 C320 C312 116.8(14) . . ?
C313 C321 C331 116.0(12) . . ?
C313 C321 C332 124.3(13) . . ?
C332 C321 C331 105.7(11) . . ?
C314 C322 C325 111.7(12) . . ?
C332 C322 C314 116.2(13) . . ?
C332 C322 C325 118.3(13) . . ?
C315 C323 C328 121.6(12) . . ?
C315 C323 C333 102.6(11) . . ?
C328 C323 C333 123.4(13) . . ?
C316 C324 C315 118.2(12) . . ?
C316 C324 C334 117.8(12) . . ?
C334 C324 C315 109.0(11) . . ?
C316 C325 C322 110.1(12) . . ?
C335 C325 C316 122.4(13) . . ?
C335 C325 C322 116.9(13) . . ?
C317 C326 C318 114.0(13) . . ?
C317 C326 C336 120.3(14) . . ?
C318 C326 C336 112.2(12) . . ?
C320 C327 C317 103.8(13) . . ?
C320 C327 C337 108.5(14) . . ?
C337 C327 C317 136.0(16) . . ?
C318 C328 C338 108.5(11) . . ?
C323 C328 C318 117.4(12) . . ?
C323 C328 C338 121.7(13) . . ?
C331 C329 C319 128.3(13) . . ?
C339 C329 C319 100.4(12) . . ?
C339 C329 C331 119.9(13) . . ?
C320 C330 C319 123.7(15) . . ?
C340 C330 C319 103.6(13) . . ?
C340 C330 C320 118.2(14) . . ?
C329 C331 C321 115.4(12) . . ?
C329 C331 C341 121.2(12) . . ?
C341 C331 C321 112.9(11) . . ?
C321 C332 C342 106.5(11) . . ?
C322 C332 C321 120.4(13) . . ?
C322 C332 C342 121.8(13) . . ?
C334 C333 C323 113.4(11) . . ?
C343 C333 C323 118.4(12) . . ?
C343 C333 C334 117.6(12) . . ?
C324 C334 C333 104.1(11) . . ?
C324 C334 C344 118.3(12) . . ?
C333 C334 C344 124.8(13) . . ?
C325 C335 C344 113.3(12) . . ?
C325 C335 C345 127.3(13) . . ?
C344 C335 C345 107.2(11) . . ?
C326 C336 C338 104.3(12) . . ?
C346 C336 C326 127.5(15) . . ?
C346 C336 C338 116.6(14) . . ?
C346 C337 C327 112.2(15) . . ?
C347 C337 C327 129.2(16) . . ?
C347 C337 C346 104.7(13) . . ?
C336 C338 C328 109.6(12) . . ?
C348 C338 C328 110.0(13) . . ?
C348 C338 C336 127.2(14) . . ?
C329 C339 C340 112.8(12) . . ?
C349 C339 C329 120.0(13) . . ?
C349 C339 C340 115.4(13) . . ?
C330 C340 C339 108.0(12) . . ?
C330 C340 C347 119.6(14) . . ?
C347 C340 C339 120.5(14) . . ?
C331 C341 C342 102.6(10) . . ?
C331 C341 C350 117.9(11) . . ?
C342 C341 C350 125.3(12) . . ?
C341 C342 C332 112.3(11) . . ?
C345 C342 C332 122.6(13) . . ?
C345 C342 C341 113.8(12) . . ?
C333 C343 C348 113.8(12) . . ?
C333 C343 C351 117.7(12) . . ?
C348 C343 C351 115.6(12) . . ?
C334 C344 C335 126.0(13) . . ?
C334 C344 C352 117.2(12) . . ?
C335 C344 C352 103.8(11) . . ?
C335 C345 C353 113.2(11) . . ?
C342 C345 C335 112.7(12) . . ?
C342 C345 C353 121.5(12) . . ?
C336 C346 C337 115.6(15) . . ?
C336 C346 C354 116.4(15) . . ?
C337 C346 C354 115.9(14) . . ?
C337 C347 C340 116.2(15) . . ?
C337 C347 C355 105.3(13) . . ?
C340 C347 C355 126.8(15) . . ?
C343 C348 C338 132.1(13) . . ?
C356 C348 C338 115.0(13) . . ?
C356 C348 C343 100.9(12) . . ?
C339 C349 C350 119.5(12) . . ?
C339 C349 C357 120.6(12) . . ?
C350 C349 C357 106.2(11) . . ?
C349 C350 C341 121.5(11) . . ?
C349 C350 C358 107.8(10) . . ?
C358 C350 C341 119.9(11) . . ?
C352 C351 C343 124.7(12) . . ?
C352 C351 C359 121.5(13) . . ?
C359 C351 C343 102.7(11) . . ?
C351 C352 C344 117.7(12) . . ?
C351 C352 C353 115.6(12) . . ?
C353 C352 C344 115.6(11) . . ?
C352 C353 C345 100.1(10) . . ?
C358 C353 C345 123.8(12) . . ?
C358 C353 C352 121.9(12) . . ?
C346 C354 C355 98.5(12) . . ?
C346 C354 C356 126.5(14) . . ?
C355 C354 C356 123.4(14) . . ?
C354 C355 C347 115.2(13) . . ?
C357 C355 C347 109.5(14) . . ?
C357 C355 C354 121.8(14) . . ?
C348 C356 C354 117.8(13) . . ?
C348 C356 C359 112.1(12) . . ?
C354 C356 C359 118.2(13) . . ?
C349 C357 C360 111.2(11) . . ?
C355 C357 C349 126.8(13) . . ?
C355 C357 C360 111.4(13) . . ?
C350 C358 C360 110.6(10) . . ?
C353 C358 C350 115.1(11) . . ?
C353 C358 C360 123.1(12) . . ?
C351 C359 C356 108.3(12) . . ?
C360 C359 C351 123.8(13) . . ?
C360 C359 C356 114.4(12) . . ?
C358 C360 C357 104.2(11) . . ?
C359 C360 C357 130.2(13) . . ?
C359 C360 C358 113.6(12) . . ?
N16 Au14 Au15 120.6(3) . . ?
N16 Au14 Au13 61.3(2) . . ?
N17 Au14 N16 177.3(4) . . ?
N17 Au14 Au15 62.0(3) . . ?
N17 Au14 Au13 121.3(3) . . ?
Au13 Au14 Au15 59.36(14) . . ?
N13 Au15 N18 172.4(5) . . ?
N13 Au15 Au14 117.9(3) . . ?
N13 Au15 Au13 58.6(3) . . ?
N18 Au15 Au14 57.8(3) . . ?
N18 Au15 Au13 117.7(3) . . ?
Au13 Au15 Au14 59.92(14) . . ?
N14 Au13 N15 176.0(4) . . ?
N14 Au13 Au14 120.8(3) . . ?
N14 Au13 Au15 60.2(3) . . ?
N15 Au13 Au14 61.7(2) . . ?
N15 Au13 Au15 122.4(3) . . ?
Au15 Au13 Au14 60.73(15) . . ?
N38 Au17 C86 164.7(4) . . ?
N38 Au17 Au16 116.5(3) . . ?
N38 Au17 Au18 57.5(3) . . ?
N39 Au17 N38 170.8(5) . . ?
N39 Au17 C86 24.6(4) . . ?
N39 Au17 Au16 54.4(4) . . ?
N39 Au17 Au18 113.4(4) . . ?
C86 Au17 Au16 78.8(3) . . ?
C86 Au17 Au18 137.6(3) . . ?
Au18 Au17 Au16 59.01(16) . . ?
N36 Au16 N40 163.7(6) . . ?
N36 Au16 C87 24.4(4) . . ?
N36 Au16 Au17 51.0(5) . . ?
N36 Au16 Au18 110.1(5) . . ?
N40 Au16 C87 167.7(5) . . ?
N40 Au16 Au17 114.0(3) . . ?
N40 Au16 Au18 54.4(3) . . ?
C87 Au16 Au17 75.4(3) . . ?
C87 Au16 Au18 133.9(3) . . ?
Au18 Au16 Au17 59.68(18) . . ?
N35 Au18 N37 154.2(8) . . ?
N35 Au18 Au17 133.6(5) . . ?
N35 Au18 Au16 72.5(5) . . ?
N37 Au18 Au17 71.6(4) . . ?
N37 Au18 Au16 132.9(4) . . ?
Au16 Au18 Au17 61.32(18) . . ?
N7 Au19 N12 176.2(3) . . ?
N7 Au19 Au20 60.19(19) . . ?
N7 Au19 Au21 120.8(2) . . ?
N12 Au19 Au20 120.56(19) . . ?
N12 Au19 Au21 60.00(18) . . ?
Au21 Au19 Au20 60.60(7) . . ?
N8 Au20 N9 178.8(3) . . ?
N8 Au20 Au19 61.24(19) . . ?
N8 Au20 Au21 120.8(2) . . ?
N9 Au20 Au19 119.5(2) . . ?
N9 Au20 Au21 59.9(2) . . ?
Au19 Au20 Au21 59.63(6) . . ?
N10 Au21 Au19 119.8(2) . . ?
N10 Au21 Au20 60.5(2) . . ?
N11 Au21 N10 178.2(3) . . ?
N11 Au21 Au19 61.11(19) . . ?
N11 Au21 Au20 120.2(2) . . ?
Au19 Au21 Au20 59.76(7) . . ?
N4 Au22 N5 175.9(4) . . ?
N4 Au22 Au23 122.3(3) . . ?
N4 Au22 Au24 61.6(2) . . ?
N5 Au22 Au23 61.6(2) . . ?
N5 Au22 Au24 122.3(3) . . ?
Au23 Au22 Au24 60.72(10) . . ?
N1 Au23 N6 179.3(4) . . ?
N1 Au23 Au22 119.8(3) . . ?
N1 Au23 Au24 60.1(2) . . ?
N6 Au23 Au22 59.6(2) . . ?
N6 Au23 Au24 119.2(3) . . ?
Au22 Au23 Au24 59.68(10) . . ?
N2 Au24 N3 177.4(4) . . ?
N2 Au24 Au22 117.7(3) . . ?
N2 Au24 Au23 58.1(3) . . ?
N3 Au24 Au22 59.8(2) . . ?
N3 Au24 Au23 119.3(3) . . ?
Au22 Au24 Au23 59.60(10) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 Au2 3.345(2) . ?
Au1 Au3 3.3519(17) . ?
Au1 N1 2.014(7) . ?
Au1 N6 1.975(7) . ?
Au2 Au3 3.3152(14) . ?
Au2 N2 2.006(8) . ?
Au2 N3 1.987(7) . ?
Au3 N4 1.982(7) . ?
Au3 N5 1.998(7) . ?
Au4 Au5 3.328(2) . ?
Au4 Au6 3.3250(14) . ?
Au4 N7 1.994(7) . ?
Au4 N12 1.987(6) . ?
Au5 Au6 3.3678(15) . ?
Au5 N8 1.994(6) . ?
Au5 N9 1.987(7) . ?
Au6 N10 1.990(7) . ?
Au6 N11 2.009(6) . ?
Au7 Au8 3.3578(14) . ?
Au7 Au9 3.3409(9) . ?
Au7 N13 2.000(8) . ?
Au7 N18 1.993(7) . ?
Au8 Au9 3.3460(12) . ?
Au8 N14 2.020(7) . ?
Au8 N15 1.996(7) . ?
Au9 N16 2.005(7) . ?
Au9 N17 2.038(8) . ?
Au10 Au11 3.3314(10) . ?
Au10 Au12 3.3097(12) . ?
Au10 N35 1.997(8) . ?
Au10 N37 1.989(8) . ?
Au11 Au12 3.3696(12) . ?
Au11 N36 2.013(9) . ?
Au11 N40 1.986(9) . ?
Au12 N38 1.969(9) . ?
Au12 N39 2.030(9) . ?
N1 N2 1.345(10) . ?
N1 C1 1.338(11) . ?
N1 Au23 1.949(8) . ?
N2 C3 1.329(11) . ?
N2 Au24 1.996(8) . ?
N3 N4 1.383(10) . ?
N3 C58 1.367(11) . ?
N3 Au24 1.997(8) . ?
N4 C60 1.346(11) . ?
N4 Au22 1.990(8) . ?
N5 N6 1.353(10) . ?
N5 C112 1.338(11) . ?
N5 Au22 1.991(8) . ?
N6 C114 1.352(12) . ?
N6 Au23 2.040(8) . ?
N7 N8 1.388(8) . ?
N7 C33 1.345(10) . ?
N7 Au19 1.989(7) . ?
N8 C32 1.339(10) . ?
N8 Au20 1.980(7) . ?
N9 N10 1.383(10) . ?
N9 C168 1.358(9) . ?
N9 Au20 2.000(7) . ?
N10 C166 1.341(10) . ?
N10 Au21 2.000(7) . ?
N11 N12 1.382(8) . ?
N11 C140 1.342(10) . ?
N11 Au21 1.999(7) . ?
N12 C141 1.353(9) . ?
N12 Au19 1.991(6) . ?
N13 N14 1.341(11) . ?
N13 C51 1.353(11) . ?
N13 Au15 1.946(9) . ?
N14 C50 1.344(11) . ?
N14 Au13 1.946(9) . ?
N15 N16 1.359(9) . ?
N15 C104 1.337(11) . ?
N15 Au13 2.071(8) . ?
N16 C105 1.332(10) . ?
N16 Au14 2.072(9) . ?
N17 N18 1.340(10) . ?
N17 C194 1.333(11) . ?
N17 Au14 1.972(9) . ?
N18 C195 1.349(11) . ?
N18 Au15 2.055(9) . ?
N19 C19 1.045(17) . ?
N19 C20 1.477(13) . ?
N20 C21 1.476(12) . ?
N20 C22 1.463(12) . ?
N20 C40 1.436(12) . ?
N21 C23 1.457(12) . ?
N21 C24 1.250(11) . ?
N22 C41 1.451(12) . ?
N22 C42 1.232(14) . ?
N23 C73 1.259(12) . ?
N23 C74 1.459(13) . ?
N24 C75 1.465(14) . ?
N24 C76 1.474(13) . ?
N24 C94 1.434(13) . ?
N25 C95 1.489(14) . ?
N25 C96 1.245(12) . ?
N26 C77 1.455(14) . ?
N26 C78 1.248(14) . ?
N27 C127 1.288(14) . ?
N27 C128 1.494(14) . ?
N28 C129 1.451(12) . ?
N28 C130 1.465(12) . ?
N28 C148 1.444(13) . ?
N29 C149 1.433(12) . ?
N29 C150 1.254(13) . ?
N30 C131 1.476(11) . ?
N30 C132 1.264(12) . ?
N31 C181 1.259(11) . ?
N31 C182 1.439(12) . ?
N32 C183 1.503(12) . ?
N32 C184 1.464(12) . ?
N32 C202 1.440(12) . ?
N33 C185 1.401(13) . ?
N33 C186 1.173(13) . ?
N34 C203 1.471(14) . ?
N34 C204 1.184(12) . ?
N35 N40 1.348(12) . ?
N35 C212 1.336(13) . ?
N35 Au18 1.970(10) . ?
N36 N39 1.367(10) . ?
N36 C87 1.337(13) . ?
N36 Au16 1.708(11) . ?
N37 N38 1.372(12) . ?
N37 C159 1.355(13) . ?
N37 Au18 2.118(11) . ?
N38 C158 1.359(11) . ?
N38 Au17 2.386(16) . ?
N39 C86 1.352(13) . ?
N39 Au17 1.624(15) . ?
N40 C213 1.348(12) . ?
N40 Au16 2.330(13) . ?
C1 C2 1.372(14) . ?
C1 C4 1.511(15) . ?
C2 C3 1.404(14) . ?
C2 C13 1.500(10) . ?
C3 C9 1.511(15) . ?
C4 H4A 1.0000 . ?
C4 H4B 1.0000 . ?
C4 C5 1.516(15) . ?
C4 C6 1.529(15) . ?
C4 C7 1.488(15) . ?
C4 C8 1.493(15) . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 1.0000 . ?
C9 H9B 1.0000 . ?
C9 C10 1.547(16) . ?
C9 C11 1.489(18) . ?
C9 C12 1.498(16) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C18 1.3900 . ?
C13 C14 1.3900 . ?
C18 H18 0.9500 . ?
C18 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C19 1.515(14) . ?
C15 H15 0.9500 . ?
C15 C14 1.3900 . ?
C14 H14 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.508(15) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.538(13) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24 0.9500 . ?
C24 C25 1.496(9) . ?
C28 C27 1.3900 . ?
C28 C29 1.3900 . ?
C28 C31 1.498(9) . ?
C27 H27 0.9500 . ?
C27 C26 1.3900 . ?
C26 H26 0.9500 . ?
C26 C25 1.3900 . ?
C25 C30 1.3900 . ?
C30 H30 0.9500 . ?
C30 C29 1.3900 . ?
C29 H29 0.9500 . ?
C31 C32 1.407(10) . ?
C31 C33 1.378(11) . ?
C32 C38 1.505(11) . ?
C33 C34 1.512(11) . ?
C34 H34 1.0000 . ?
C34 C35 1.535(15) . ?
C34 C36 1.506(15) . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C37 C38 1.520(12) . ?
C38 H38 1.0000 . ?
C38 C39 1.543(14) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.558(15) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 H42 0.9500 . ?
C42 C43 1.485(10) . ?
C46 C300 1.3900 . ?
C46 C45 1.3900 . ?
C46 C49 1.509(9) . ?
C300 H300 0.9500 . ?
C300 C48 1.3900 . ?
C48 H48 0.9500 . ?
C48 C43 1.3900 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C44 C45 1.3900 . ?
C45 H45 0.9500 . ?
C49 C50 1.388(13) . ?
C49 C51 1.393(13) . ?
C50 C52 1.519(15) . ?
C51 C55 1.497(14) . ?
C52 H52 1.0000 . ?
C52 C53 1.503(19) . ?
C52 C54 1.513(17) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55 1.0000 . ?
C55 C56 1.503(14) . ?
C55 C57 1.537(18) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C59 1.381(13) . ?
C58 C61 1.524(13) . ?
C59 C60 1.406(13) . ?
C59 C67 1.493(13) . ?
C60 C64 1.490(13) . ?
C61 H61 1.0000 . ?
C61 C62 1.520(16) . ?
C61 C63 1.489(16) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64 1.0000 . ?
C64 C65 1.533(13) . ?
C64 C66 1.376(15) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.353(13) . ?
C67 C72 1.410(14) . ?
C68 H68 0.9500 . ?
C68 C69 1.393(13) . ?
C69 H69 0.9500 . ?
C69 C70 1.370(13) . ?
C70 C71 1.404(13) . ?
C70 C73 1.463(13) . ?
C71 H71 0.9500 . ?
C71 C72 1.366(13) . ?
C72 H72 0.9500 . ?
C73 H73 0.9500 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C75 1.509(15) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.530(15) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78 0.9500 . ?
C78 C79 1.490(14) . ?
C79 C80 1.372(14) . ?
C79 C84 1.389(13) . ?
C80 H80 0.9500 . ?
C80 C81 1.389(15) . ?
C81 H81 0.9500 . ?
C81 C82 1.384(13) . ?
C82 C83 1.404(15) . ?
C82 C85 1.488(15) . ?
C83 H83 0.9500 . ?
C83 C84 1.362(15) . ?
C84 H84 0.9500 . ?
C85 C86 1.359(14) . ?
C85 C87 1.409(13) . ?
C86 C88 1.511(13) . ?
C86 Au17 2.649(17) . ?
C87 C91 1.538(14) . ?
C87 Au16 2.692(15) . ?
C88 H88 1.0000 . ?
C88 C89 1.479(15) . ?
C88 C90 1.511(13) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91 1.0000 . ?
C91 C92 1.487(18) . ?
C91 C93 1.517(16) . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C94 C95 1.510(16) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96 0.9500 . ?
C96 C97 1.476(13) . ?
C97 C98 1.391(13) . ?
C97 C102 1.369(13) . ?
C98 H98 0.9500 . ?
C98 C99 1.382(13) . ?
C99 H99 0.9500 . ?
C99 C100 1.392(12) . ?
C100 C101 1.370(12) . ?
C100 C103 1.496(12) . ?
C101 H101 0.9500 . ?
C101 C102 1.378(14) . ?
C102 H102 0.9500 . ?
C103 C104 1.401(12) . ?
C103 C105 1.373(12) . ?
C104 C106 1.498(12) . ?
C105 C109 1.510(11) . ?
C106 H106 1.0000 . ?
C106 C107 1.515(13) . ?
C106 C108 1.504(14) . ?
C107 H10D 0.9800 . ?
C107 H10E 0.9800 . ?
C107 H10F 0.9800 . ?
C108 H10G 0.9800 . ?
C108 H10H 0.9800 . ?
C108 H10I 0.9800 . ?
C109 H109 1.0000 . ?
C109 C110 1.539(12) . ?
C109 C111 1.528(12) . ?
C110 H11D 0.9800 . ?
C110 H11E 0.9800 . ?
C110 H11F 0.9800 . ?
C111 H11G 0.9800 . ?
C111 H11H 0.9800 . ?
C111 H11I 0.9800 . ?
C112 C113 1.392(13) . ?
C112 C115 1.482(12) . ?
C113 C114 1.375(13) . ?
C113 C121 1.496(11) . ?
C114 C118 1.488(13) . ?
C115 H115 1.0000 . ?
C115 C116 1.522(14) . ?
C115 C117 1.513(13) . ?
C116 H11J 0.9800 . ?
C116 H11K 0.9800 . ?
C116 H11L 0.9800 . ?
C117 H11M 0.9800 . ?
C117 H11N 0.9800 . ?
C117 H11O 0.9800 . ?
C118 H118 1.0000 . ?
C118 C119 1.457(12) . ?
C118 C120 1.468(12) . ?
C119 H11P 0.9800 . ?
C119 H11Q 0.9800 . ?
C119 H11R 0.9800 . ?
C120 H12D 0.9800 . ?
C120 H12E 0.9800 . ?
C120 H12F 0.9800 . ?
C121 C126 1.3900 . ?
C121 C122 1.3900 . ?
C126 H126 0.9500 . ?
C126 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C124 1.3900 . ?
C124 C123 1.3900 . ?
C124 C127 1.481(13) . ?
C123 H123 0.9500 . ?
C123 C122 1.3900 . ?
C122 H122 0.9500 . ?
C127 H127 0.9500 . ?
C128 H12G 0.9900 . ?
C128 H12H 0.9900 . ?
C128 C129 1.489(14) . ?
C129 H12I 0.9900 . ?
C129 H12J 0.9900 . ?
C130 H13A 0.9900 . ?
C130 H13B 0.9900 . ?
C130 C131 1.497(15) . ?
C131 H13C 0.9900 . ?
C131 H13D 0.9900 . ?
C132 H132 0.9500 . ?
C132 C133 1.487(11) . ?
C133 C134 1.384(12) . ?
C133 C138 1.375(13) . ?
C134 H134 0.9500 . ?
C134 C135 1.371(11) . ?
C135 H135 0.9500 . ?
C135 C136 1.416(12) . ?
C136 C137 1.406(12) . ?
C136 C139 1.474(11) . ?
C137 H137 0.9500 . ?
C137 C138 1.405(12) . ?
C138 H138 0.9500 . ?
C139 C140 1.392(10) . ?
C139 C141 1.390(11) . ?
C140 C142 1.506(10) . ?
C141 C145 1.522(10) . ?
C142 H142 1.0000 . ?
C142 C143 1.532(12) . ?
C142 C144 1.526(12) . ?
C143 H14A 0.9800 . ?
C143 H14B 0.9800 . ?
C143 H14C 0.9800 . ?
C144 H14D 0.9800 . ?
C144 H14E 0.9800 . ?
C144 H14F 0.9800 . ?
C145 H145 1.0000 . ?
C145 C146 1.536(13) . ?
C145 C147 1.540(13) . ?
C146 H14G 0.9800 . ?
C146 H14H 0.9800 . ?
C146 H14I 0.9800 . ?
C147 H14J 0.9800 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C148 H14M 0.9900 . ?
C148 H14N 0.9900 . ?
C148 C149 1.555(14) . ?
C149 H14O 0.9900 . ?
C149 H14P 0.9900 . ?
C150 H150 0.9500 . ?
C150 C151 1.501(13) . ?
C151 C152 1.405(13) . ?
C151 C156 1.334(14) . ?
C152 H152 0.9500 . ?
C152 C153 1.373(14) . ?
C153 H153 0.9500 . ?
C153 C154 1.433(14) . ?
C154 C155 1.386(12) . ?
C154 C157 1.445(13) . ?
C155 H155 0.9500 . ?
C155 C156 1.397(13) . ?
C156 H156 0.9500 . ?
C157 C158 1.447(15) . ?
C157 C159 1.402(13) . ?
C158 C160 1.498(14) . ?
C159 C163 1.488(15) . ?
C160 H160 1.0000 . ?
C160 C161 1.510(15) . ?
C160 C162 1.500(16) . ?
C161 H16A 0.9800 . ?
C161 H16B 0.9800 . ?
C161 H16C 0.9800 . ?
C162 H16D 0.9800 . ?
C162 H16E 0.9800 . ?
C162 H16F 0.9800 . ?
C163 H163 1.0000 . ?
C163 C164 1.510(14) . ?
C163 C165 1.502(14) . ?
C164 H16G 0.9800 . ?
C164 H16H 0.9800 . ?
C164 H16I 0.9800 . ?
C165 H16J 0.9800 . ?
C165 H16K 0.9800 . ?
C165 H16L 0.9800 . ?
C166 C167 1.414(12) . ?
C166 C169 1.497(13) . ?
C167 C168 1.382(12) . ?
C167 C175 1.494(8) . ?
C168 C172 1.494(12) . ?
C169 H169 1.0000 . ?
C169 C170 1.529(16) . ?
C169 C171 1.492(15) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H172 1.0000 . ?
C172 C173 1.518(11) . ?
C172 C174 1.532(13) . ?
C173 H17G 0.9800 . ?
C173 H17H 0.9800 . ?
C173 H17I 0.9800 . ?
C174 H17J 0.9800 . ?
C174 H17K 0.9800 . ?
C174 H17L 0.9800 . ?
C175 C180 1.3900 . ?
C175 C176 1.3900 . ?
C180 H180 0.9500 . ?
C180 C179 1.3900 . ?
C179 H179 0.9500 . ?
C179 C178 1.3900 . ?
C178 C177 1.3900 . ?
C178 C181 1.489(9) . ?
C177 H177 0.9500 . ?
C177 C176 1.3900 . ?
C176 H176 0.9500 . ?
C181 H181 0.9500 . ?
C182 H18A 0.9900 . ?
C182 H18B 0.9900 . ?
C182 C183 1.540(14) . ?
C183 H18C 0.9900 . ?
C183 H18D 0.9900 . ?
C184 H18E 0.9900 . ?
C184 H18F 0.9900 . ?
C184 C185 1.493(13) . ?
C185 H18G 0.9900 . ?
C185 H18H 0.9900 . ?
C186 H186 0.9500 . ?
C186 C187 1.536(9) . ?
C190 C191 1.3900 . ?
C190 C189 1.3900 . ?
C190 C193 1.543(11) . ?
C191 H191 0.9500 . ?
C191 C192 1.3900 . ?
C192 H192 0.9500 . ?
C192 C187 1.3900 . ?
C187 C188 1.3900 . ?
C188 H188 0.9500 . ?
C188 C189 1.3900 . ?
C189 H189 0.9500 . ?
C193 C194 1.379(12) . ?
C193 C195 1.383(12) . ?
C194 C196 1.505(13) . ?
C195 C199 1.504(12) . ?
C196 H196 1.0000 . ?
C196 C197 1.493(19) . ?
C196 C198 1.546(15) . ?
C197 H19A 0.9800 . ?
C197 H19B 0.9800 . ?
C197 H19C 0.9800 . ?
C198 H19D 0.9800 . ?
C198 H19E 0.9800 . ?
C198 H19F 0.9800 . ?
C199 H199 1.0000 . ?
C199 C200 1.529(13) . ?
C199 C201 1.523(17) . ?
C200 H20C 0.9800 . ?
C200 H20D 0.9800 . ?
C200 H20E 0.9800 . ?
C201 H20F 0.9800 . ?
C201 H20G 0.9800 . ?
C201 H20H 0.9800 . ?
C202 H20I 0.9900 . ?
C202 H20J 0.9900 . ?
C202 C203 1.513(15) . ?
C203 H20K 0.9900 . ?
C203 H20L 0.9900 . ?
C204 H204 0.9500 . ?
C204 C205 1.543(11) . ?
C208 C209 1.3900 . ?
C208 C207 1.3900 . ?
C208 C211 1.520(11) . ?
C209 H209 0.9500 . ?
C209 C210 1.3900 . ?
C210 H210 0.9500 . ?
C210 C205 1.3900 . ?
C205 C206 1.3900 . ?
C206 H206 0.9500 . ?
C206 C207 1.3900 . ?
C207 H207 0.9500 . ?
C211 C212 1.420(14) . ?
C211 C213 1.330(14) . ?
C212 C214 1.472(16) . ?
C213 C217 1.520(15) . ?
C214 H214 1.0000 . ?
C214 C215 1.53(2) . ?
C214 C216 1.53(2) . ?
C215 H21C 0.9800 . ?
C215 H21D 0.9800 . ?
C215 H21E 0.9800 . ?
C216 H21F 0.9800 . ?
C216 H21G 0.9800 . ?
C216 H21H 0.9800 . ?
C217 H217 1.0000 . ?
C217 C218 1.489(17) . ?
C217 C219 1.490(18) . ?
C218 H21I 0.9800 . ?
C218 H21J 0.9800 . ?
C218 H21K 0.9800 . ?
C219 H21L 0.9800 . ?
C219 H21M 0.9800 . ?
C219 H21N 0.9800 . ?
Cl1 C361 1.730(12) . ?
Cl4 C361 1.767(14) . ?
Cl6 C361 1.772(15) . ?
C361 D361 1.0000 . ?
Cl5 C362 1.771(17) . ?
Cl8 C362 1.722(16) . ?
Cl9 C362 1.698(18) . ?
C362 D362 1.0000 . ?
C301 C303 1.426(7) . ?
C301 C311 1.433(7) . ?
C301 C312 1.423(7) . ?
C302 C303 1.420(7) . ?
C302 C304 1.426(7) . ?
C302 C305 1.425(7) . ?
C303 C306 1.422(7) . ?
C304 C307 1.438(7) . ?
C304 C308 1.411(7) . ?
C305 C309 1.422(7) . ?
C305 C310 1.432(7) . ?
C306 C313 1.422(7) . ?
C306 C314 1.423(7) . ?
C307 C310 1.419(7) . ?
C307 C315 1.419(7) . ?
C308 C314 1.426(7) . ?
C308 C316 1.431(7) . ?
C309 C312 1.422(7) . ?
C309 C317 1.425(7) . ?
C310 C318 1.427(7) . ?
C311 C313 1.425(7) . ?
C311 C319 1.418(7) . ?
C312 C320 1.432(7) . ?
C313 C321 1.421(7) . ?
C314 C322 1.422(7) . ?
C315 C323 1.419(7) . ?
C315 C324 1.426(7) . ?
C316 C324 1.416(7) . ?
C316 C325 1.427(7) . ?
C317 C326 1.420(7) . ?
C317 C327 1.428(7) . ?
C318 C326 1.425(7) . ?
C318 C328 1.429(7) . ?
C319 C329 1.437(7) . ?
C319 C330 1.429(7) . ?
C320 C327 1.420(7) . ?
C320 C330 1.420(7) . ?
C321 C331 1.433(7) . ?
C321 C332 1.427(7) . ?
C322 C325 1.429(7) . ?
C322 C332 1.419(7) . ?
C323 C328 1.422(7) . ?
C323 C333 1.440(7) . ?
C324 C334 1.419(7) . ?
C325 C335 1.424(7) . ?
C326 C336 1.431(7) . ?
C327 C337 1.422(7) . ?
C328 C338 1.437(7) . ?
C329 C331 1.423(7) . ?
C329 C339 1.422(7) . ?
C330 C340 1.418(7) . ?
C331 C341 1.424(7) . ?
C332 C342 1.434(7) . ?
C333 C334 1.425(7) . ?
C333 C343 1.417(7) . ?
C334 C344 1.425(7) . ?
C335 C344 1.428(7) . ?
C335 C345 1.433(7) . ?
C336 C338 1.432(7) . ?
C336 C346 1.416(7) . ?
C337 C346 1.421(7) . ?
C337 C347 1.419(7) . ?
C338 C348 1.428(7) . ?
C339 C340 1.426(7) . ?
C339 C349 1.418(7) . ?
C340 C347 1.421(7) . ?
C341 C342 1.425(7) . ?
C341 C350 1.429(7) . ?
C342 C345 1.418(7) . ?
C343 C348 1.427(7) . ?
C343 C351 1.431(7) . ?
C344 C352 1.432(7) . ?
C345 C353 1.434(7) . ?
C346 C354 1.422(7) . ?
C347 C355 1.427(7) . ?
C348 C356 1.422(7) . ?
C349 C350 1.424(7) . ?
C349 C357 1.433(7) . ?
C350 C358 1.428(7) . ?
C351 C352 1.414(7) . ?
C351 C359 1.430(7) . ?
C352 C353 1.428(7) . ?
C353 C358 1.426(7) . ?
C354 C355 1.422(7) . ?
C354 C356 1.424(7) . ?
C355 C357 1.414(7) . ?
C356 C359 1.434(7) . ?
C357 C360 1.435(7) . ?
C358 C360 1.430(7) . ?
C359 C360 1.423(7) . ?
Au14 Au15 3.359(6) . ?
Au14 Au13 3.332(6) . ?
Au15 Au13 3.313(7) . ?
Au17 Au16 3.372(9) . ?
Au17 Au18 3.318(7) . ?
Au16 Au18 3.295(8) . ?
Au19 Au20 3.330(3) . ?
Au19 Au21 3.326(3) . ?
Au20 Au21 3.358(3) . ?
Au22 Au23 3.332(4) . ?
Au22 Au24 3.335(4) . ?
Au23 Au24 3.370(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 N1 N2 Au2 1.3(9) . . . . ?
Au1 N1 N2 C3 176.6(7) . . . . ?
Au1 N1 C1 C2 -177.2(7) . . . . ?
Au1 N1 C1 C4 3.6(15) . . . . ?
Au1 N6 C114 C113 174.2(7) . . . . ?
Au1 N6 C114 C118 -3.1(14) . . . . ?
Au2 N2 C3 C2 175.4(7) . . . . ?
Au2 N2 C3 C9 -9.4(15) . . . . ?
Au2 N3 N4 Au3 -0.2(9) . . . . ?
Au2 N3 N4 C60 173.4(6) . . . . ?
Au2 N3 C58 C59 -170.8(7) . . . . ?
Au2 N3 C58 C61 13.7(15) . . . . ?
Au3 N4 C60 C59 171.1(7) . . . . ?
Au3 N4 C60 C64 -5.6(14) . . . . ?
Au3 N5 N6 Au1 -4.1(8) . . . . ?
Au3 N5 N6 C114 172.9(6) . . . . ?
Au3 N5 C112 C113 -170.3(6) . . . . ?
Au3 N5 C112 C115 8.7(13) . . . . ?
Au4 N7 N8 Au5 0.0(7) . . . . ?
Au4 N7 N8 C32 179.5(5) . . . . ?
Au4 N7 C33 C31 178.7(6) . . . . ?
Au4 N7 C33 C34 -6.6(13) . . . . ?
Au4 N12 C141 C139 -161.8(6) . . . . ?
Au4 N12 C141 C145 16.8(12) . . . . ?
Au5 N8 C32 C31 -178.1(6) . . . . ?
Au5 N8 C32 C38 -0.9(13) . . . . ?
Au5 N9 N10 Au6 -15.0(8) . . . . ?
Au5 N9 N10 C166 176.0(6) . . . . ?
Au5 N9 C168 C167 -174.3(6) . . . . ?
Au5 N9 C168 C172 6.0(12) . . . . ?
Au6 N10 C166 C167 -168.8(6) . . . . ?
Au6 N10 C166 C169 12.8(14) . . . . ?
Au6 N11 N12 Au4 -16.8(7) . . . . ?
Au6 N11 N12 C141 177.9(5) . . . . ?
Au6 N11 C140 C139 -177.9(6) . . . . ?
Au6 N11 C140 C142 1.0(11) . . . . ?
Au7 N13 N14 Au8 -9.7(9) . . . . ?
Au7 N13 N14 C50 178.1(6) . . . . ?
Au7 N13 C51 C49 -177.1(7) . . . . ?
Au7 N13 C51 C55 1.2(14) . . . . ?
Au7 N18 C195 C193 -173.9(6) . . . . ?
Au7 N18 C195 C199 7.4(14) . . . . ?
Au8 N14 C50 C49 -172.0(6) . . . . ?
Au8 N14 C50 C52 7.6(14) . . . . ?
Au8 N15 N16 Au9 8.8(8) . . . . ?
Au8 N15 N16 C105 -171.0(5) . . . . ?
Au8 N15 C104 C103 169.8(6) . . . . ?
Au8 N15 C104 C106 -10.0(12) . . . . ?
Au9 N16 C105 C103 179.6(6) . . . . ?
Au9 N16 C105 C109 2.5(12) . . . . ?
Au9 N17 N18 Au7 0.2(9) . . . . ?
Au9 N17 N18 C195 -174.6(6) . . . . ?
Au9 N17 C194 C193 173.9(7) . . . . ?
Au9 N17 C194 C196 -8.1(14) . . . . ?
Au10 N35 N40 Au11 0.4(11) . . . . ?
Au10 N35 N40 C213 -175.7(7) . . . . ?
Au10 N35 C212 C211 174.3(7) . . . . ?
Au10 N35 C212 C214 -7.1(16) . . . . ?
Au10 N37 N38 Au12 8.3(9) . . . . ?
Au10 N37 N38 C158 178.8(6) . . . . ?
Au10 N37 C159 C157 -178.7(7) . . . . ?
Au10 N37 C159 C163 -3.2(14) . . . . ?
Au11 N36 N39 Au12 -11.4(9) . . . . ?
Au11 N36 N39 C86 179.1(6) . . . . ?
Au11 N36 C87 C85 -178.9(7) . . . . ?
Au11 N36 C87 C91 1.2(16) . . . . ?
Au11 N40 C213 C211 -173.6(8) . . . . ?
Au11 N40 C213 C217 4.7(17) . . . . ?
Au12 N38 C158 C157 168.9(7) . . . . ?
Au12 N38 C158 C160 -12.3(14) . . . . ?
Au12 N39 C86 C85 -168.2(7) . . . . ?
Au12 N39 C86 C88 10.8(14) . . . . ?
N1 N2 C3 C2 0.8(11) . . . . ?
N1 N2 C3 C9 176.1(9) . . . . ?
N1 C1 C2 C3 2.0(12) . . . . ?
N1 C1 C2 C13 178.3(8) . . . . ?
N1 C1 C4 C5 -112.5(17) . . . . ?
N1 C1 C4 C6 107.5(17) . . . . ?
N1 C1 C4 C7 65.8(17) . . . . ?
N1 C1 C4 C8 -72.3(16) . . . . ?
N2 N1 C1 C2 -1.5(11) . . . . ?
N2 N1 C1 C4 179.3(9) . . . . ?
N2 C3 C9 C10 -118(2) . . . . ?
N2 C3 C9 C11 123.0(13) . . . . ?
N2 C3 C9 C12 -73(2) . . . . ?
N3 N4 C60 C59 -1.4(10) . . . . ?
N3 N4 C60 C64 -178.1(8) . . . . ?
N3 C58 C59 C60 -1.8(11) . . . . ?
N3 C58 C59 C67 174.7(9) . . . . ?
N3 C58 C61 C62 57.5(14) . . . . ?
N3 C58 C61 C63 -71.0(13) . . . . ?
N4 N3 C58 C59 1.0(11) . . . . ?
N4 N3 C58 C61 -174.5(9) . . . . ?
N4 C60 C64 C65 -62.4(13) . . . . ?
N4 C60 C64 C66 74.3(14) . . . . ?
N5 N6 C114 C113 -2.2(10) . . . . ?
N5 N6 C114 C118 -179.6(8) . . . . ?
N5 C112 C113 C114 -1.9(11) . . . . ?
N5 C112 C113 C121 172.3(8) . . . . ?
N5 C112 C115 C116 -94.8(12) . . . . ?
N5 C112 C115 C117 134.5(10) . . . . ?
N6 N5 C112 C113 0.5(10) . . . . ?
N6 N5 C112 C115 179.6(8) . . . . ?
N6 C114 C118 C119 -80.2(15) . . . . ?
N6 C114 C118 C120 69.1(15) . . . . ?
N7 N8 C32 C31 2.5(9) . . . . ?
N7 N8 C32 C38 179.7(8) . . . . ?
N7 C33 C34 C35 130.2(9) . . . . ?
N7 C33 C34 C36 -104.4(10) . . . . ?
N8 N7 C33 C31 0.0(10) . . . . ?
N8 N7 C33 C34 174.6(8) . . . . ?
N8 C32 C38 C37 -53.1(12) . . . . ?
N8 C32 C38 C39 71.7(11) . . . . ?
N9 N10 C166 C167 -1.8(10) . . . . ?
N9 N10 C166 C169 179.7(8) . . . . ?
N9 C168 C172 C173 146.5(8) . . . . ?
N9 C168 C172 C174 -85.3(10) . . . . ?
N10 N9 C168 C167 -0.6(9) . . . . ?
N10 N9 C168 C172 179.6(7) . . . . ?
N10 C166 C167 C168 1.4(10) . . . . ?
N10 C166 C167 C175 179.1(7) . . . . ?
N10 C166 C169 C170 54.5(13) . . . . ?
N10 C166 C169 C171 -69.9(13) . . . . ?
N11 N12 C141 C139 1.1(9) . . . . ?
N11 N12 C141 C145 179.7(7) . . . . ?
N11 C140 C142 C143 149.8(7) . . . . ?
N11 C140 C142 C144 -85.0(9) . . . . ?
N12 N11 C140 C139 1.8(9) . . . . ?
N12 N11 C140 C142 -179.3(7) . . . . ?
N12 C141 C145 C146 -73.9(10) . . . . ?
N12 C141 C145 C147 50.9(10) . . . . ?
N13 N14 C50 C49 -0.8(11) . . . . ?
N13 N14 C50 C52 178.8(9) . . . . ?
N13 C51 C55 C56 148.1(10) . . . . ?
N13 C51 C55 C57 -86.0(12) . . . . ?
N14 N13 C51 C49 0.3(11) . . . . ?
N14 N13 C51 C55 178.7(9) . . . . ?
N14 C50 C52 C53 -96.3(12) . . . . ?
N14 C50 C52 C54 132.4(13) . . . . ?
N15 N16 C105 C103 -0.6(9) . . . . ?
N15 N16 C105 C109 -177.7(7) . . . . ?
N15 C104 C106 C107 76.1(12) . . . . ?
N15 C104 C106 C108 -54.0(12) . . . . ?
N16 N15 C104 C103 -0.4(9) . . . . ?
N16 N15 C104 C106 179.8(7) . . . . ?
N16 C105 C109 C110 67.4(10) . . . . ?
N16 C105 C109 C111 -58.4(11) . . . . ?
N17 N18 C195 C193 -0.1(10) . . . . ?
N17 N18 C195 C199 -178.7(8) . . . . ?
N17 C194 C196 C197 102.0(12) . . . . ?
N17 C194 C196 C198 -132.6(11) . . . . ?
N18 N17 C194 C193 -0.1(11) . . . . ?
N18 N17 C194 C196 177.9(9) . . . . ?
N18 C195 C199 C200 -60.3(13) . . . . ?
N18 C195 C199 C201 66.9(13) . . . . ?
N19 C20 C21 N20 74.5(12) . . . . ?
N20 C22 C23 N21 78.9(11) . . . . ?
N20 C40 C41 N22 75.5(12) . . . . ?
N21 C24 C25 C26 13.8(10) . . . . ?
N21 C24 C25 C30 -167.3(7) . . . . ?
N22 C42 C43 C48 4.9(14) . . . . ?
N22 C42 C43 C44 -177.6(9) . . . . ?
N23 C74 C75 N24 79.3(11) . . . . ?
N24 C76 C77 N26 79.2(12) . . . . ?
N24 C94 C95 N25 81.2(12) . . . . ?
N25 C96 C97 C98 -174.0(11) . . . . ?
N25 C96 C97 C102 7.3(16) . . . . ?
N26 C78 C79 C80 179.3(10) . . . . ?
N26 C78 C79 C84 -4.2(15) . . . . ?
N27 C128 C129 N28 83.2(12) . . . . ?
N28 C130 C131 N30 69.1(11) . . . . ?
N28 C148 C149 N29 82.9(11) . . . . ?
N29 C150 C151 C152 22.9(16) . . . . ?
N29 C150 C151 C156 -158.5(11) . . . . ?
N30 C132 C133 C134 -4.2(13) . . . . ?
N30 C132 C133 C138 173.5(9) . . . . ?
N31 C182 C183 N32 77.0(11) . . . . ?
N32 C184 C185 N33 88.9(12) . . . . ?
N32 C202 C203 N34 86.1(11) . . . . ?
N33 C186 C187 C192 -156.8(12) . . . . ?
N33 C186 C187 C188 20.3(17) . . . . ?
N34 C204 C205 C210 7.6(15) . . . . ?
N34 C204 C205 C206 -173.0(10) . . . . ?
N35 N40 C213 C211 1.7(13) . . . . ?
N35 N40 C213 C217 179.9(10) . . . . ?
N35 C212 C214 C215 -102.5(14) . . . . ?
N35 C212 C214 C216 132.5(13) . . . . ?
N36 N39 C86 C85 -0.4(11) . . . . ?
N36 N39 C86 C88 178.6(8) . . . . ?
N36 N39 C86 Au17 165.2(13) . . . . ?
N36 N39 Au17 C86 -162.7(14) . . . . ?
N36 N39 Au17 Au16 10.6(6) . . . . ?
N36 N39 Au17 Au18 9.7(9) . . . . ?
N36 C87 C91 C92 -88.9(15) . . . . ?
N36 C87 C91 C93 144.6(11) . . . . ?
N37 N38 C158 C157 0.4(10) . . . . ?
N37 N38 C158 C160 179.2(9) . . . . ?
N37 C159 C163 C164 70.8(13) . . . . ?
N37 C159 C163 C165 -55.9(12) . . . . ?
N38 N37 C159 C157 0.7(11) . . . . ?
N38 N37 C159 C163 176.1(8) . . . . ?
N38 C158 C160 C161 -58.3(14) . . . . ?
N38 C158 C160 C162 73.7(13) . . . . ?
N39 N36 C87 C85 -1.1(12) . . . . ?
N39 N36 C87 C91 179.0(9) . . . . ?
N39 N36 C87 Au16 172.2(13) . . . . ?
N39 N36 Au16 N40 37(2) . . . . ?
N39 N36 Au16 C87 -170.7(16) . . . . ?
N39 N36 Au16 Au17 10.9(7) . . . . ?
N39 N36 Au16 Au18 20.1(10) . . . . ?
N39 C86 C88 C89 137.0(10) . . . . ?
N39 C86 C88 C90 -95.6(11) . . . . ?
N40 N35 C212 C211 0.4(12) . . . . ?
N40 N35 C212 C214 179.0(11) . . . . ?
N40 C213 C217 C218 -63.1(15) . . . . ?
N40 C213 C217 C219 64.8(14) . . . . ?
C1 N1 N2 Au2 -174.9(6) . . . . ?
C1 N1 N2 C3 0.4(11) . . . . ?
C1 N1 N2 Au24 -173.7(7) . . . . ?
C1 C2 C3 N2 -1.7(12) . . . . ?
C1 C2 C3 C9 -176.2(12) . . . . ?
C1 C2 C13 C18 -88.0(11) . . . . ?
C1 C2 C13 C14 92.5(11) . . . . ?
C2 C1 C4 C5 68(2) . . . . ?
C2 C1 C4 C6 -71.6(19) . . . . ?
C2 C1 C4 C7 -113.3(17) . . . . ?
C2 C1 C4 C8 108.6(16) . . . . ?
C2 C3 C9 C10 56(3) . . . . ?
C2 C3 C9 C11 -63.1(18) . . . . ?
C2 C3 C9 C12 101(2) . . . . ?
C2 C13 C18 C17 -179.5(8) . . . . ?
C2 C13 C14 C15 179.5(8) . . . . ?
C3 C2 C13 C18 87.5(11) . . . . ?
C3 C2 C13 C14 -92.0(11) . . . . ?
C4 C1 C2 C3 -178.9(10) . . . . ?
C4 C1 C2 C13 -2.6(18) . . . . ?
C13 C2 C3 N2 -178.0(8) . . . . ?
C13 C2 C3 C9 7.5(18) . . . . ?
C13 C18 C17 C16 0.0 . . . . ?
C18 C13 C14 C15 0.0 . . . . ?
C18 C17 C16 C15 0.0 . . . . ?
C18 C17 C16 C19 -177.3(10) . . . . ?
C17 C16 C15 C14 0.0 . . . . ?
C17 C16 C19 N19 -22(2) . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C16 C19 N19 160.1(17) . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C19 N19 C20 C21 115.3(17) . . . . ?
C19 C16 C15 C14 177.6(9) . . . . ?
C20 N19 C19 C16 175.3(12) . . . . ?
C21 N20 C22 C23 -155.5(8) . . . . ?
C21 N20 C40 C41 74.8(9) . . . . ?
C22 N20 C21 C20 79.4(9) . . . . ?
C22 N20 C40 C41 -164.4(8) . . . . ?
C23 N21 C24 C25 -177.4(7) . . . . ?
C24 N21 C23 C22 -88.6(11) . . . . ?
C24 C25 C30 C29 -178.9(6) . . . . ?
C28 C27 C26 C25 0.0 . . . . ?
C28 C31 C32 N8 176.0(7) . . . . ?
C28 C31 C32 C38 -1.1(13) . . . . ?
C28 C31 C33 N7 -176.9(8) . . . . ?
C28 C31 C33 C34 9.5(17) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C28 C31 C32 80.4(9) . . . . ?
C27 C28 C31 C33 -101.6(10) . . . . ?
C27 C26 C25 C24 178.9(6) . . . . ?
C27 C26 C25 C30 0.0 . . . . ?
C26 C25 C30 C29 0.0 . . . . ?
C25 C30 C29 C28 0.0 . . . . ?
C29 C28 C27 C26 0.0 . . . . ?
C29 C28 C31 C32 -95.9(8) . . . . ?
C29 C28 C31 C33 82.1(10) . . . . ?
C31 C28 C27 C26 -176.3(6) . . . . ?
C31 C28 C29 C30 176.3(6) . . . . ?
C31 C32 C38 C37 123.7(10) . . . . ?
C31 C32 C38 C39 -111.5(10) . . . . ?
C31 C33 C34 C35 -56.6(14) . . . . ?
C31 C33 C34 C36 68.8(14) . . . . ?
C32 C31 C33 N7 1.4(10) . . . . ?
C32 C31 C33 C34 -172.2(10) . . . . ?
C33 N7 N8 Au5 178.9(5) . . . . ?
C33 N7 N8 C32 -1.6(9) . . . . ?
C33 N7 N8 Au20 -179.8(6) . . . . ?
C33 C31 C32 N8 -2.4(10) . . . . ?
C33 C31 C32 C38 -179.6(8) . . . . ?
C40 N20 C21 C20 -159.2(8) . . . . ?
C40 N20 C22 C23 83.4(9) . . . . ?
C41 N22 C42 C43 -175.4(9) . . . . ?
C42 N22 C41 C40 -117.5(12) . . . . ?
C42 C43 C44 C45 -177.4(8) . . . . ?
C46 C300 C48 C43 0.0 . . . . ?
C46 C49 C50 N14 -178.4(8) . . . . ?
C46 C49 C50 C52 2.1(18) . . . . ?
C46 C49 C51 N13 178.6(8) . . . . ?
C46 C49 C51 C55 0.6(18) . . . . ?
C300 C46 C45 C44 0.0 . . . . ?
C300 C46 C49 C50 104.6(10) . . . . ?
C300 C46 C49 C51 -74.7(11) . . . . ?
C300 C48 C43 C42 177.4(8) . . . . ?
C300 C48 C43 C44 0.0 . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C45 C46 C300 C48 0.0 . . . . ?
C45 C46 C49 C50 -74.7(11) . . . . ?
C45 C46 C49 C51 106.0(10) . . . . ?
C49 C46 C300 C48 -179.3(7) . . . . ?
C49 C46 C45 C44 179.3(7) . . . . ?
C49 C50 C52 C53 83.1(15) . . . . ?
C49 C50 C52 C54 -48.1(18) . . . . ?
C49 C51 C55 C56 -34.0(18) . . . . ?
C49 C51 C55 C57 91.8(13) . . . . ?
C50 C49 C51 N13 -0.8(11) . . . . ?
C50 C49 C51 C55 -178.8(11) . . . . ?
C51 N13 N14 Au8 172.5(6) . . . . ?
C51 N13 N14 C50 0.3(10) . . . . ?
C51 N13 N14 Au13 173.1(6) . . . . ?
C51 C49 C50 N14 1.0(11) . . . . ?
C51 C49 C50 C52 -178.6(11) . . . . ?
C58 N3 N4 Au3 -173.3(6) . . . . ?
C58 N3 N4 C60 0.3(10) . . . . ?
C58 N3 N4 Au22 -172.0(6) . . . . ?
C58 C59 C60 N4 2.0(11) . . . . ?
C58 C59 C60 C64 178.3(10) . . . . ?
C58 C59 C67 C68 -58.8(14) . . . . ?
C58 C59 C67 C72 126.7(11) . . . . ?
C59 C58 C61 C62 -117.0(12) . . . . ?
C59 C58 C61 C63 114.5(12) . . . . ?
C59 C60 C64 C65 121.8(11) . . . . ?
C59 C60 C64 C66 -101.6(15) . . . . ?
C59 C67 C68 C69 -178.5(10) . . . . ?
C59 C67 C72 C71 177.8(10) . . . . ?
C60 C59 C67 C68 117.0(12) . . . . ?
C60 C59 C67 C72 -57.5(15) . . . . ?
C61 C58 C59 C60 173.3(10) . . . . ?
C61 C58 C59 C67 -10.2(17) . . . . ?
C67 C59 C60 N4 -174.5(9) . . . . ?
C67 C59 C60 C64 1.8(17) . . . . ?
C67 C68 C69 C70 -0.6(17) . . . . ?
C68 C67 C72 C71 3.1(15) . . . . ?
C68 C69 C70 C71 5.3(15) . . . . ?
C68 C69 C70 C73 -176.1(9) . . . . ?
C69 C70 C71 C72 -5.9(15) . . . . ?
C69 C70 C73 N23 165.9(10) . . . . ?
C70 C71 C72 C67 1.7(16) . . . . ?
C71 C70 C73 N23 -15.6(14) . . . . ?
C72 C67 C68 C69 -3.7(16) . . . . ?
C73 N23 C74 C75 -122.1(11) . . . . ?
C73 C70 C71 C72 175.5(9) . . . . ?
C74 N23 C73 C70 -176.0(9) . . . . ?
C75 N24 C76 C77 81.5(11) . . . . ?
C75 N24 C94 C95 -152.2(10) . . . . ?
C76 N24 C75 C74 -146.4(9) . . . . ?
C76 N24 C94 C95 82.0(12) . . . . ?
C77 N26 C78 C79 -177.8(9) . . . . ?
C78 N26 C77 C76 -123.4(11) . . . . ?
C78 C79 C80 C81 -179.8(9) . . . . ?
C78 C79 C84 C83 179.5(9) . . . . ?
C79 C80 C81 C82 -1.6(16) . . . . ?
C80 C79 C84 C83 -3.9(15) . . . . ?
C80 C81 C82 C83 -0.2(14) . . . . ?
C80 C81 C82 C85 176.8(9) . . . . ?
C81 C82 C83 C84 -0.2(15) . . . . ?
C81 C82 C85 C86 -80.4(14) . . . . ?
C81 C82 C85 C87 99.9(13) . . . . ?
C82 C83 C84 C79 2.2(16) . . . . ?
C82 C85 C86 N39 180.0(9) . . . . ?
C82 C85 C86 C88 1.1(18) . . . . ?
C82 C85 C86 Au17 169.2(8) . . . . ?
C82 C85 C87 N36 -179.4(10) . . . . ?
C82 C85 C87 C91 0.5(19) . . . . ?
C82 C85 C87 Au16 175.1(8) . . . . ?
C83 C82 C85 C86 96.5(13) . . . . ?
C83 C82 C85 C87 -83.2(14) . . . . ?
C84 C79 C80 C81 3.6(15) . . . . ?
C85 C82 C83 C84 -177.2(9) . . . . ?
C85 C86 C88 C89 -44.2(15) . . . . ?
C85 C86 C88 C90 83.2(14) . . . . ?
C85 C87 C91 C92 91.2(16) . . . . ?
C85 C87 C91 C93 -35.2(18) . . . . ?
C86 N39 Au17 Au16 173.4(10) . . . . ?
C86 N39 Au17 Au18 172.5(7) . . . . ?
C86 C85 C87 N36 0.9(12) . . . . ?
C86 C85 C87 C91 -179.3(11) . . . . ?
C86 C85 C87 Au16 -4.6(15) . . . . ?
C87 N36 N39 Au12 170.5(7) . . . . ?
C87 N36 N39 C86 1.0(11) . . . . ?
C87 N36 N39 Au17 166.3(8) . . . . ?
C87 N36 Au16 N40 -152.5(18) . . . . ?
C87 N36 Au16 Au17 -178.4(11) . . . . ?
C87 N36 Au16 Au18 -169.3(8) . . . . ?
C87 C85 C86 N39 -0.3(11) . . . . ?
C87 C85 C86 C88 -179.1(10) . . . . ?
C87 C85 C86 Au17 -11.1(14) . . . . ?
C94 N24 C75 C74 88.4(11) . . . . ?
C94 N24 C76 C77 -152.0(9) . . . . ?
C95 N25 C96 C97 -179.6(9) . . . . ?
C96 N25 C95 C94 -103.7(12) . . . . ?
C96 C97 C98 C99 -176.6(10) . . . . ?
C96 C97 C102 C101 175.5(11) . . . . ?
C97 C98 C99 C100 0.0(17) . . . . ?
C98 C97 C102 C101 -3.2(17) . . . . ?
C98 C99 C100 C101 -1.3(16) . . . . ?
C98 C99 C100 C103 174.4(9) . . . . ?
C99 C100 C101 C102 0.3(17) . . . . ?
C99 C100 C103 C104 83.8(12) . . . . ?
C99 C100 C103 C105 -91.2(11) . . . . ?
C100 C101 C102 C97 2.0(19) . . . . ?
C100 C103 C104 N15 -175.8(8) . . . . ?
C100 C103 C104 C106 4.0(15) . . . . ?
C100 C103 C105 N16 176.1(8) . . . . ?
C100 C103 C105 C109 -6.8(14) . . . . ?
C101 C100 C103 C104 -100.9(12) . . . . ?
C101 C100 C103 C105 84.2(13) . . . . ?
C102 C97 C98 C99 2.2(16) . . . . ?
C103 C100 C101 C102 -175.1(10) . . . . ?
C103 C104 C106 C107 -103.6(11) . . . . ?
C103 C104 C106 C108 126.2(10) . . . . ?
C103 C105 C109 C110 -109.3(10) . . . . ?
C103 C105 C109 C111 125.0(9) . . . . ?
C104 N15 N16 Au9 -179.6(5) . . . . ?
C104 N15 N16 C105 0.6(9) . . . . ?
C104 N15 N16 Au14 179.9(5) . . . . ?
C104 C103 C105 N16 0.4(9) . . . . ?
C104 C103 C105 C109 177.4(8) . . . . ?
C105 C103 C104 N15 0.0(9) . . . . ?
C105 C103 C104 C106 179.8(8) . . . . ?
C112 N5 N6 Au1 -175.9(6) . . . . ?
C112 N5 N6 C114 1.1(10) . . . . ?
C112 N5 N6 Au23 -175.1(6) . . . . ?
C112 C113 C114 N6 2.5(11) . . . . ?
C112 C113 C114 C118 179.7(10) . . . . ?
C112 C113 C121 C126 108.9(10) . . . . ?
C112 C113 C121 C122 -71.6(11) . . . . ?
C113 C112 C115 C116 84.0(14) . . . . ?
C113 C112 C115 C117 -46.7(15) . . . . ?
C113 C114 C118 C119 103.0(15) . . . . ?
C113 C114 C118 C120 -107.7(14) . . . . ?
C113 C121 C126 C125 179.4(8) . . . . ?
C113 C121 C122 C123 -179.5(8) . . . . ?
C114 C113 C121 C126 -78.1(12) . . . . ?
C114 C113 C121 C122 101.4(10) . . . . ?
C115 C112 C113 C114 179.2(10) . . . . ?
C115 C112 C113 C121 -6.7(16) . . . . ?
C121 C113 C114 N6 -171.5(9) . . . . ?
C121 C113 C114 C118 5.6(17) . . . . ?
C121 C126 C125 C124 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C126 C125 C124 C123 0.0 . . . . ?
C126 C125 C124 C127 176.1(9) . . . . ?
C125 C124 C123 C122 0.0 . . . . ?
C125 C124 C127 N27 -0.1(15) . . . . ?
C124 C123 C122 C121 0.0 . . . . ?
C123 C124 C127 N27 176.0(9) . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C127 N27 C128 C129 -121.1(11) . . . . ?
C127 C124 C123 C122 -176.2(9) . . . . ?
C128 N27 C127 C124 -179.2(9) . . . . ?
C129 N28 C130 C131 87.4(10) . . . . ?
C129 N28 C148 C149 -162.2(8) . . . . ?
C130 N28 C129 C128 -143.3(9) . . . . ?
C130 N28 C148 C149 73.9(10) . . . . ?
C131 N30 C132 C133 -175.8(8) . . . . ?
C132 N30 C131 C130 -138.4(9) . . . . ?
C132 C133 C134 C135 176.2(8) . . . . ?
C132 C133 C138 C137 -177.1(9) . . . . ?
C133 C134 C135 C136 0.8(12) . . . . ?
C134 C133 C138 C137 0.7(14) . . . . ?
C134 C135 C136 C137 0.5(12) . . . . ?
C134 C135 C136 C139 -176.5(7) . . . . ?
C135 C136 C137 C138 -1.2(13) . . . . ?
C135 C136 C139 C140 -67.0(11) . . . . ?
C135 C136 C139 C141 113.2(9) . . . . ?
C136 C137 C138 C133 0.6(16) . . . . ?
C136 C139 C140 N11 179.2(8) . . . . ?
C136 C139 C140 C142 0.5(15) . . . . ?
C136 C139 C141 N12 179.7(7) . . . . ?
C136 C139 C141 C145 1.2(14) . . . . ?
C137 C136 C139 C140 116.1(10) . . . . ?
C137 C136 C139 C141 -63.7(11) . . . . ?
C138 C133 C134 C135 -1.5(13) . . . . ?
C139 C136 C137 C138 175.9(9) . . . . ?
C139 C140 C142 C143 -31.7(13) . . . . ?
C139 C140 C142 C144 93.6(11) . . . . ?
C139 C141 C145 C146 104.4(10) . . . . ?
C139 C141 C145 C147 -130.7(9) . . . . ?
C140 N11 N12 Au4 163.5(5) . . . . ?
C140 N11 N12 C141 -1.8(8) . . . . ?
C140 N11 N12 Au19 163.2(5) . . . . ?
C140 C139 C141 N12 -0.1(9) . . . . ?
C140 C139 C141 C145 -178.6(8) . . . . ?
C141 C139 C140 N11 -1.0(9) . . . . ?
C141 C139 C140 C142 -179.7(9) . . . . ?
C148 N28 C129 C128 91.8(10) . . . . ?
C148 N28 C130 C131 -148.3(8) . . . . ?
C149 N29 C150 C151 175.5(9) . . . . ?
C150 N29 C149 C148 -88.0(12) . . . . ?
C150 C151 C152 C153 -176.3(10) . . . . ?
C150 C151 C156 C155 175.0(9) . . . . ?
C151 C152 C153 C154 -0.1(16) . . . . ?
C152 C151 C156 C155 -6.3(15) . . . . ?
C152 C153 C154 C155 -3.4(15) . . . . ?
C152 C153 C154 C157 -176.5(10) . . . . ?
C153 C154 C155 C156 2.2(14) . . . . ?
C153 C154 C157 C158 -131.5(11) . . . . ?
C153 C154 C157 C159 55.3(14) . . . . ?
C154 C155 C156 C151 2.7(15) . . . . ?
C154 C157 C158 N38 -174.6(9) . . . . ?
C154 C157 C158 C160 6.7(16) . . . . ?
C154 C157 C159 N37 173.9(9) . . . . ?
C154 C157 C159 C163 -1.3(17) . . . . ?
C155 C154 C157 C158 55.8(14) . . . . ?
C155 C154 C157 C159 -117.4(12) . . . . ?
C156 C151 C152 C153 5.0(16) . . . . ?
C157 C154 C155 C156 175.1(9) . . . . ?
C157 C158 C160 C161 120.2(12) . . . . ?
C157 C158 C160 C162 -107.8(13) . . . . ?
C157 C159 C163 C164 -114.6(11) . . . . ?
C157 C159 C163 C165 118.7(11) . . . . ?
C158 C157 C159 N37 -0.4(10) . . . . ?
C158 C157 C159 C163 -175.6(9) . . . . ?
C159 N37 N38 Au12 -171.2(6) . . . . ?
C159 N37 N38 C158 -0.7(10) . . . . ?
C159 N37 N38 Au17 -167.8(6) . . . . ?
C159 C157 C158 N38 0.0(10) . . . . ?
C159 C157 C158 C160 -178.6(10) . . . . ?
C166 C167 C168 N9 -0.5(10) . . . . ?
C166 C167 C168 C172 179.2(9) . . . . ?
C166 C167 C175 C180 -64.4(10) . . . . ?
C166 C167 C175 C176 111.1(9) . . . . ?
C167 C166 C169 C170 -123.6(10) . . . . ?
C167 C166 C169 C171 112.0(11) . . . . ?
C167 C168 C172 C173 -33.2(14) . . . . ?
C167 C168 C172 C174 95.1(11) . . . . ?
C167 C175 C180 C179 175.5(7) . . . . ?
C167 C175 C176 C177 -175.5(7) . . . . ?
C168 N9 N10 Au6 170.5(5) . . . . ?
C168 N9 N10 C166 1.6(9) . . . . ?
C168 N9 N10 Au21 171.1(5) . . . . ?
C168 C167 C175 C180 112.6(9) . . . . ?
C168 C167 C175 C176 -71.9(11) . . . . ?
C169 C166 C167 C168 179.8(9) . . . . ?
C169 C166 C167 C175 -2.6(15) . . . . ?
C175 C167 C168 N9 -177.9(8) . . . . ?
C175 C167 C168 C172 1.8(16) . . . . ?
C175 C180 C179 C178 0.0 . . . . ?
C180 C175 C176 C177 0.0 . . . . ?
C180 C179 C178 C177 0.0 . . . . ?
C180 C179 C178 C181 -177.9(7) . . . . ?
C179 C178 C177 C176 0.0 . . . . ?
C179 C178 C181 N31 173.7(8) . . . . ?
C178 C177 C176 C175 0.0 . . . . ?
C177 C178 C181 N31 -4.2(12) . . . . ?
C176 C175 C180 C179 0.0 . . . . ?
C181 N31 C182 C183 -108.2(11) . . . . ?
C181 C178 C177 C176 177.9(7) . . . . ?
C182 N31 C181 C178 -176.1(8) . . . . ?
C183 N32 C184 C185 77.4(10) . . . . ?
C183 N32 C202 C203 -164.0(8) . . . . ?
C184 N32 C183 C182 -155.7(8) . . . . ?
C184 N32 C202 C203 76.8(10) . . . . ?
C185 N33 C186 C187 -171.1(10) . . . . ?
C186 N33 C185 C184 -100.1(14) . . . . ?
C186 C187 C188 C189 -176.9(9) . . . . ?
C190 C191 C192 C187 0.0 . . . . ?
C190 C193 C194 N17 -174.1(9) . . . . ?
C190 C193 C194 C196 8.1(18) . . . . ?
C190 C193 C195 N18 174.6(8) . . . . ?
C190 C193 C195 C199 -6.8(15) . . . . ?
C191 C190 C189 C188 0.0 . . . . ?
C191 C190 C193 C194 73.4(11) . . . . ?
C191 C190 C193 C195 -99.8(10) . . . . ?
C191 C192 C187 C186 177.3(8) . . . . ?
C191 C192 C187 C188 0.0 . . . . ?
C192 C187 C188 C189 0.0 . . . . ?
C187 C188 C189 C190 0.0 . . . . ?
C189 C190 C191 C192 0.0 . . . . ?
C189 C190 C193 C194 -108.6(10) . . . . ?
C189 C190 C193 C195 78.1(10) . . . . ?
C193 C190 C191 C192 178.0(6) . . . . ?
C193 C190 C189 C188 -177.9(6) . . . . ?
C193 C194 C196 C197 -80.5(14) . . . . ?
C193 C194 C196 C198 44.9(17) . . . . ?
C193 C195 C199 C200 121.3(11) . . . . ?
C193 C195 C199 C201 -111.5(13) . . . . ?
C194 N17 N18 Au7 174.9(6) . . . . ?
C194 N17 N18 C195 0.1(10) . . . . ?
C194 N17 N18 Au15 179.1(6) . . . . ?
C194 C193 C195 N18 0.0(11) . . . . ?
C194 C193 C195 C199 178.6(9) . . . . ?
C195 C193 C194 N17 0.1(11) . . . . ?
C195 C193 C194 C196 -177.7(11) . . . . ?
C202 N32 C183 C182 82.6(9) . . . . ?
C202 N32 C184 C185 -162.0(9) . . . . ?
C203 N34 C204 C205 -171.4(9) . . . . ?
C204 N34 C203 C202 -113.5(12) . . . . ?
C204 C205 C206 C207 -179.5(9) . . . . ?
C208 C209 C210 C205 0.0 . . . . ?
C208 C211 C212 N35 -172.8(10) . . . . ?
C208 C211 C212 C214 9(2) . . . . ?
C208 C211 C213 N40 172.2(9) . . . . ?
C208 C211 C213 C217 -6(2) . . . . ?
C209 C208 C207 C206 0.0 . . . . ?
C209 C208 C211 C212 -75.4(12) . . . . ?
C209 C208 C211 C213 112.3(11) . . . . ?
C209 C210 C205 C204 179.5(9) . . . . ?
C209 C210 C205 C206 0.0 . . . . ?
C210 C205 C206 C207 0.0 . . . . ?
C205 C206 C207 C208 0.0 . . . . ?
C207 C208 C209 C210 0.0 . . . . ?
C207 C208 C211 C212 104.6(11) . . . . ?
C207 C208 C211 C213 -67.7(13) . . . . ?
C211 C208 C209 C210 180.0(8) . . . . ?
C211 C208 C207 C206 -180.0(8) . . . . ?
C211 C212 C214 C215 75.6(18) . . . . ?
C211 C212 C214 C216 -49.4(19) . . . . ?
C211 C213 C217 C218 114.8(14) . . . . ?
C211 C213 C217 C219 -117.4(14) . . . . ?
C212 N35 N40 Au11 174.9(7) . . . . ?
C212 N35 N40 C213 -1.3(12) . . . . ?
C212 N35 N40 Au16 177.7(7) . . . . ?
C212 C211 C213 N40 -1.4(13) . . . . ?
C212 C211 C213 C217 -179.5(12) . . . . ?
C213 C211 C212 N35 0.6(13) . . . . ?
C213 C211 C212 C214 -177.7(13) . . . . ?
C301 C303 C306 C313 -0.6(15) . . . . ?
C301 C303 C306 C314 -144.5(11) . . . . ?
C301 C311 C313 C306 -0.2(16) . . . . ?
C301 C311 C313 C321 138.8(14) . . . . ?
C301 C311 C319 C329 -138.5(16) . . . . ?
C301 C311 C319 C330 1(2) . . . . ?
C301 C312 C320 C327 139.2(16) . . . . ?
C301 C312 C320 C330 -8(2) . . . . ?
C302 C303 C306 C313 146.0(11) . . . . ?
C302 C303 C306 C314 2.1(17) . . . . ?
C302 C304 C307 C310 -0.7(15) . . . . ?
C302 C304 C307 C315 143.1(12) . . . . ?
C302 C304 C308 C314 -4.6(18) . . . . ?
C302 C304 C308 C316 -142.9(12) . . . . ?
C302 C305 C309 C312 4(3) . . . . ?
C302 C305 C309 C317 137.9(15) . . . . ?
C302 C305 C310 C307 0.1(15) . . . . ?
C302 C305 C310 C318 -139.1(13) . . . . ?
C303 C301 C311 C313 -0.1(17) . . . . ?
C303 C301 C311 C319 144.2(15) . . . . ?
C303 C301 C312 C309 5(2) . . . . ?
C303 C301 C312 C320 -132.7(16) . . . . ?
C303 C302 C304 C307 -134.4(14) . . . . ?
C303 C302 C304 C308 12(2) . . . . ?
C303 C302 C305 C309 1.1(19) . . . . ?
C303 C302 C305 C310 144.4(12) . . . . ?
C303 C306 C313 C311 0.5(15) . . . . ?
C303 C306 C313 C321 -145.1(12) . . . . ?
C303 C306 C314 C308 3.5(19) . . . . ?
C303 C306 C314 C322 138.3(14) . . . . ?
C304 C302 C303 C301 130.0(16) . . . . ?
C304 C302 C303 C306 -10(2) . . . . ?
C304 C302 C305 C309 -143.8(13) . . . . ?
C304 C302 C305 C310 -0.5(15) . . . . ?
C304 C307 C310 C305 0.4(14) . . . . ?
C304 C307 C310 C318 140.5(12) . . . . ?
C304 C307 C315 C323 -137.9(14) . . . . ?
C304 C307 C315 C324 2(2) . . . . ?
C304 C308 C314 C306 -2(2) . . . . ?
C304 C308 C314 C322 -144.7(14) . . . . ?
C304 C308 C316 C324 1(2) . . . . ?
C304 C308 C316 C325 147.6(13) . . . . ?
C305 C302 C303 C301 -3.0(19) . . . . ?
C305 C302 C303 C306 -143.4(12) . . . . ?
C305 C302 C304 C307 0.7(14) . . . . ?
C305 C302 C304 C308 146.8(12) . . . . ?
C305 C309 C312 C301 -7(2) . . . . ?
C305 C309 C312 C320 133.1(17) . . . . ?
C305 C309 C317 C326 1(3) . . . . ?
C305 C309 C317 C327 -138.6(16) . . . . ?
C305 C310 C318 C326 -4(2) . . . . ?
C305 C310 C318 C328 135.8(15) . . . . ?
C306 C313 C321 C331 140.6(13) . . . . ?
C306 C313 C321 C332 6.2(19) . . . . ?
C306 C314 C322 C325 -137.7(14) . . . . ?
C306 C314 C322 C332 2(2) . . . . ?
C307 C304 C308 C314 134.1(14) . . . . ?
C307 C304 C308 C316 -4(2) . . . . ?
C307 C310 C318 C326 -137.3(15) . . . . ?
C307 C310 C318 C328 3(2) . . . . ?
C307 C315 C323 C328 0(2) . . . . ?
C307 C315 C323 C333 142.6(13) . . . . ?
C307 C315 C324 C316 -4(2) . . . . ?
C307 C315 C324 C334 -142.6(13) . . . . ?
C308 C304 C307 C310 -140.6(14) . . . . ?
C308 C304 C307 C315 3(2) . . . . ?
C308 C314 C322 C325 6.9(17) . . . . ?
C308 C314 C322 C332 146.8(14) . . . . ?
C308 C316 C324 C315 3(2) . . . . ?
C308 C316 C324 C334 137.8(16) . . . . ?
C308 C316 C325 C322 -3.6(17) . . . . ?
C308 C316 C325 C335 -147.0(16) . . . . ?
C309 C305 C310 C307 145.3(13) . . . . ?
C309 C305 C310 C318 6(2) . . . . ?
C309 C312 C320 C327 6(2) . . . . ?
C309 C312 C320 C330 -140.8(15) . . . . ?
C309 C317 C326 C318 2(2) . . . . ?
C309 C317 C326 C336 -136.1(16) . . . . ?
C309 C317 C327 C320 -5(2) . . . . ?
C309 C317 C327 C337 132(2) . . . . ?
C310 C305 C309 C312 -137.8(17) . . . . ?
C310 C305 C309 C317 -4(2) . . . . ?
C310 C307 C315 C323 2(2) . . . . ?
C310 C307 C315 C324 142.0(13) . . . . ?
C310 C318 C326 C317 0(2) . . . . ?
C310 C318 C326 C336 141.3(14) . . . . ?
C310 C318 C328 C323 -1(2) . . . . ?
C310 C318 C328 C338 -143.7(13) . . . . ?
C311 C301 C303 C302 -141.6(14) . . . . ?
C311 C301 C303 C306 0.4(15) . . . . ?
C311 C301 C312 C309 141.6(14) . . . . ?
C311 C301 C312 C320 4(2) . . . . ?
C311 C313 C321 C331 4(2) . . . . ?
C311 C313 C321 C332 -129.9(16) . . . . ?
C311 C319 C329 C331 3(3) . . . . ?
C311 C319 C329 C339 144.9(15) . . . . ?
C311 C319 C330 C320 -5(3) . . . . ?
C311 C319 C330 C340 -142.9(15) . . . . ?
C312 C301 C303 C302 0(2) . . . . ?
C312 C301 C303 C306 141.9(15) . . . . ?
C312 C301 C311 C313 -145.3(14) . . . . ?
C312 C301 C311 C319 -1(2) . . . . ?
C312 C309 C317 C326 146.8(17) . . . . ?
C312 C309 C317 C327 8(2) . . . . ?
C312 C320 C327 C317 -0.8(19) . . . . ?
C312 C320 C327 C337 -150.4(15) . . . . ?
C312 C320 C330 C319 8(2) . . . . ?
C312 C320 C330 C340 140.6(16) . . . . ?
C313 C306 C314 C308 -135.1(15) . . . . ?
C313 C306 C314 C322 0(2) . . . . ?
C313 C311 C319 C329 4(2) . . . . ?
C313 C311 C319 C330 143.8(15) . . . . ?
C313 C321 C331 C329 2.7(19) . . . . ?
C313 C321 C331 C341 -142.7(13) . . . . ?
C313 C321 C332 C322 -5(2) . . . . ?
C313 C321 C332 C342 139.4(13) . . . . ?
C314 C306 C313 C311 141.8(13) . . . . ?
C314 C306 C313 C321 -3.7(19) . . . . ?
C314 C308 C316 C324 -137.8(15) . . . . ?
C314 C308 C316 C325 8.8(17) . . . . ?
C314 C322 C325 C316 -2.3(19) . . . . ?
C314 C322 C325 C335 143.4(14) . . . . ?
C314 C322 C332 C321 0(2) . . . . ?
C314 C322 C332 C342 -138.4(15) . . . . ?
C315 C307 C310 C305 -143.6(12) . . . . ?
C315 C307 C310 C318 -3.5(19) . . . . ?
C315 C323 C328 C318 0(2) . . . . ?
C315 C323 C328 C338 137.3(15) . . . . ?
C315 C323 C333 C334 -1.9(18) . . . . ?
C315 C323 C333 C343 -145.8(13) . . . . ?
C315 C324 C334 C333 -1.7(17) . . . . ?
C315 C324 C334 C344 141.9(14) . . . . ?
C316 C308 C314 C306 132.5(14) . . . . ?
C316 C308 C314 C322 -10.0(17) . . . . ?
C316 C324 C334 C333 -140.0(14) . . . . ?
C316 C324 C334 C344 3(2) . . . . ?
C316 C325 C335 C344 -4(2) . . . . ?
C316 C325 C335 C345 133.5(17) . . . . ?
C317 C309 C312 C301 -147.9(13) . . . . ?
C317 C309 C312 C320 -8.0(19) . . . . ?
C317 C326 C336 C338 142.5(15) . . . . ?
C317 C326 C336 C346 1(3) . . . . ?
C317 C327 C337 C346 10(3) . . . . ?
C317 C327 C337 C347 -123(2) . . . . ?
C318 C326 C336 C338 4.1(18) . . . . ?
C318 C326 C336 C346 -136.9(17) . . . . ?
C318 C328 C338 C336 0.0(17) . . . . ?
C318 C328 C338 C348 144.4(12) . . . . ?
C319 C311 C313 C306 -147.0(14) . . . . ?
C319 C311 C313 C321 -8(2) . . . . ?
C319 C329 C331 C321 -6(2) . . . . ?
C319 C329 C331 C341 135.9(16) . . . . ?
C319 C329 C339 C340 -4.6(18) . . . . ?
C319 C329 C339 C349 -145.8(14) . . . . ?
C319 C330 C340 C339 -0.1(19) . . . . ?
C319 C330 C340 C347 143.0(15) . . . . ?
C320 C327 C337 C346 145.4(16) . . . . ?
C320 C327 C337 C347 12(3) . . . . ?
C320 C330 C340 C339 -141.0(15) . . . . ?
C320 C330 C340 C347 2(2) . . . . ?
C321 C331 C341 C342 -0.4(17) . . . . ?
C321 C331 C341 C350 141.6(12) . . . . ?
C321 C332 C342 C341 -1.7(18) . . . . ?
C321 C332 C342 C345 -143.1(15) . . . . ?
C322 C325 C335 C344 -144.8(15) . . . . ?
C322 C325 C335 C345 -8(3) . . . . ?
C322 C332 C342 C341 141.8(15) . . . . ?
C322 C332 C342 C345 0(2) . . . . ?
C323 C315 C324 C316 138.7(14) . . . . ?
C323 C315 C324 C334 0.6(18) . . . . ?
C323 C328 C338 C336 -140.9(14) . . . . ?
C323 C328 C338 C348 4(2) . . . . ?
C323 C333 C334 C324 2.3(18) . . . . ?
C323 C333 C334 C344 -138.1(15) . . . . ?
C323 C333 C343 C348 -0.6(19) . . . . ?
C323 C333 C343 C351 139.3(14) . . . . ?
C324 C315 C323 C328 -142.3(14) . . . . ?
C324 C315 C323 C333 0.8(17) . . . . ?
C324 C316 C325 C322 146.2(15) . . . . ?
C324 C316 C325 C335 3(2) . . . . ?
C324 C334 C344 C335 -5(2) . . . . ?
C324 C334 C344 C352 -139.8(15) . . . . ?
C325 C316 C324 C315 -137.0(15) . . . . ?
C325 C316 C324 C334 -3(2) . . . . ?
C325 C322 C332 C321 137.3(15) . . . . ?
C325 C322 C332 C342 -1(2) . . . . ?
C325 C335 C344 C334 5(2) . . . . ?
C325 C335 C344 C352 144.4(14) . . . . ?
C325 C335 C345 C342 7(2) . . . . ?
C325 C335 C345 C353 -136.2(16) . . . . ?
C326 C317 C327 C320 -150.3(15) . . . . ?
C326 C317 C327 C337 -14(3) . . . . ?
C326 C318 C328 C323 145.2(14) . . . . ?
C326 C318 C328 C338 2.4(17) . . . . ?
C326 C336 C338 C328 -2.5(17) . . . . ?
C326 C336 C338 C348 -139.1(15) . . . . ?
C326 C336 C346 C337 -6(3) . . . . ?
C326 C336 C346 C354 135.7(17) . . . . ?
C327 C317 C326 C318 144.2(15) . . . . ?
C327 C317 C326 C336 7(2) . . . . ?
C327 C320 C330 C319 -130.5(19) . . . . ?
C327 C320 C330 C340 2(3) . . . . ?
C327 C337 C346 C336 1(2) . . . . ?
C327 C337 C346 C354 -140.8(16) . . . . ?
C327 C337 C347 C340 -9(3) . . . . ?
C327 C337 C347 C355 137(2) . . . . ?
C328 C318 C326 C317 -145.2(14) . . . . ?
C328 C318 C326 C336 -4.1(18) . . . . ?
C328 C323 C333 C334 140.3(15) . . . . ?
C328 C323 C333 C343 -4(2) . . . . ?
C328 C338 C348 C343 -9(2) . . . . ?
C328 C338 C348 C356 -143.6(13) . . . . ?
C329 C319 C330 C320 135.1(16) . . . . ?
C329 C319 C330 C340 -3(2) . . . . ?
C329 C331 C341 C342 -143.5(14) . . . . ?
C329 C331 C341 C350 -1(2) . . . . ?
C329 C339 C340 C330 3(2) . . . . ?
C329 C339 C340 C347 -139.6(15) . . . . ?
C329 C339 C349 C350 0(2) . . . . ?
C329 C339 C349 C357 135.5(15) . . . . ?
C330 C319 C329 C331 -137.6(16) . . . . ?
C330 C319 C329 C339 4.7(19) . . . . ?
C330 C320 C327 C317 141.3(17) . . . . ?
C330 C320 C327 C337 -8(3) . . . . ?
C330 C340 C347 C337 1(2) . . . . ?
C330 C340 C347 C355 -136.4(18) . . . . ?
C331 C321 C332 C322 -142.8(14) . . . . ?
C331 C321 C332 C342 1.3(16) . . . . ?
C331 C329 C339 C340 141.8(15) . . . . ?
C331 C329 C339 C349 1(2) . . . . ?
C331 C341 C342 C332 1.3(17) . . . . ?
C331 C341 C342 C345 146.2(14) . . . . ?
C331 C341 C350 C349 2.6(19) . . . . ?
C331 C341 C350 C358 -137.4(13) . . . . ?
C332 C321 C331 C329 144.8(13) . . . . ?
C332 C321 C331 C341 -0.6(17) . . . . ?
C332 C322 C325 C316 -141.2(15) . . . . ?
C332 C322 C325 C335 4(2) . . . . ?
C332 C342 C345 C335 -3(2) . . . . ?
C332 C342 C345 C353 136.6(15) . . . . ?
C333 C323 C328 C318 -135.7(15) . . . . ?
C333 C323 C328 C338 2(2) . . . . ?
C333 C334 C344 C335 130.3(17) . . . . ?
C333 C334 C344 C352 -4(2) . . . . ?
C333 C343 C348 C338 8(2) . . . . ?
C333 C343 C348 C356 146.6(12) . . . . ?
C333 C343 C351 C352 -1(2) . . . . ?
C333 C343 C351 C359 -145.1(13) . . . . ?
C334 C333 C343 C348 -143.0(13) . . . . ?
C334 C333 C343 C351 -3(2) . . . . ?
C334 C344 C352 C351 0(2) . . . . ?
C334 C344 C352 C353 142.6(14) . . . . ?
C335 C344 C352 C351 -143.8(13) . . . . ?
C335 C344 C352 C353 -1.1(18) . . . . ?
C335 C345 C353 C352 -3.4(17) . . . . ?
C335 C345 C353 C358 136.5(14) . . . . ?
C336 C338 C348 C343 127.5(17) . . . . ?
C336 C338 C348 C356 -7(2) . . . . ?
C336 C346 C354 C355 -147.1(16) . . . . ?
C336 C346 C354 C356 -4(2) . . . . ?
C337 C346 C354 C355 -6.0(19) . . . . ?
C337 C346 C354 C356 137.6(16) . . . . ?
C337 C347 C355 C354 -5(2) . . . . ?
C337 C347 C355 C357 -146.6(14) . . . . ?
C338 C336 C346 C337 -142.7(16) . . . . ?
C338 C336 C346 C354 -1(2) . . . . ?
C338 C348 C356 C354 1.8(18) . . . . ?
C338 C348 C356 C359 144.1(12) . . . . ?
C339 C329 C331 C321 -142.3(14) . . . . ?
C339 C329 C331 C341 0(2) . . . . ?
C339 C340 C347 C337 139.3(16) . . . . ?
C339 C340 C347 C355 2(3) . . . . ?
C339 C349 C350 C341 -2(2) . . . . ?
C339 C349 C350 C358 142.1(13) . . . . ?
C339 C349 C357 C355 1(2) . . . . ?
C339 C349 C357 C360 -140.4(13) . . . . ?
C340 C339 C349 C350 -139.7(14) . . . . ?
C340 C339 C349 C357 -5(2) . . . . ?
C340 C347 C355 C354 136.0(16) . . . . ?
C340 C347 C355 C357 -6(2) . . . . ?
C341 C342 C345 C335 -143.5(14) . . . . ?
C341 C342 C345 C353 -4(2) . . . . ?
C341 C350 C358 C353 -2.3(18) . . . . ?
C341 C350 C358 C360 142.7(12) . . . . ?
C342 C341 C350 C349 135.2(15) . . . . ?
C342 C341 C350 C358 -5(2) . . . . ?
C342 C345 C353 C352 -142.4(15) . . . . ?
C342 C345 C353 C358 -3(2) . . . . ?
C343 C333 C334 C324 146.5(13) . . . . ?
C343 C333 C334 C344 6(2) . . . . ?
C343 C348 C356 C354 -145.7(12) . . . . ?
C343 C348 C356 C359 -3.4(14) . . . . ?
C343 C351 C352 C344 3(2) . . . . ?
C343 C351 C352 C353 -139.8(14) . . . . ?
C343 C351 C359 C356 3.3(14) . . . . ?
C343 C351 C359 C360 141.5(13) . . . . ?
C344 C335 C345 C342 145.7(14) . . . . ?
C344 C335 C345 C353 3.0(19) . . . . ?
C344 C352 C353 C345 2.7(17) . . . . ?
C344 C352 C353 C358 -138.2(14) . . . . ?
C345 C335 C344 C334 -140.5(15) . . . . ?
C345 C335 C344 C352 -1.1(17) . . . . ?
C345 C353 C358 C350 6(2) . . . . ?
C345 C353 C358 C360 -134.3(14) . . . . ?
C346 C336 C338 C328 143.6(14) . . . . ?
C346 C336 C338 C348 7(2) . . . . ?
C346 C337 C347 C340 -145.0(16) . . . . ?
C346 C337 C347 C355 0.8(19) . . . . ?
C346 C354 C355 C347 6.5(18) . . . . ?
C346 C354 C355 C357 143.0(15) . . . . ?
C346 C354 C356 C348 3(2) . . . . ?
C346 C354 C356 C359 -136.6(16) . . . . ?
C347 C337 C346 C336 145.0(15) . . . . ?
C347 C337 C346 C354 4(2) . . . . ?
C347 C355 C357 C349 4(2) . . . . ?
C347 C355 C357 C360 145.3(13) . . . . ?
C348 C343 C351 C352 138.0(14) . . . . ?
C348 C343 C351 C359 -6.0(15) . . . . ?
C348 C356 C359 C351 0.1(15) . . . . ?
C348 C356 C359 C360 -142.5(12) . . . . ?
C349 C339 C340 C330 146.2(14) . . . . ?
C349 C339 C340 C347 4(2) . . . . ?
C349 C350 C358 C353 -147.2(12) . . . . ?
C349 C350 C358 C360 -2.2(14) . . . . ?
C349 C357 C360 C358 -1.0(15) . . . . ?
C349 C357 C360 C359 137.9(14) . . . . ?
C350 C341 C342 C332 -136.9(14) . . . . ?
C350 C341 C342 C345 8(2) . . . . ?
C350 C349 C357 C355 140.8(14) . . . . ?
C350 C349 C357 C360 -0.2(15) . . . . ?
C350 C358 C360 C357 2.0(14) . . . . ?
C350 C358 C360 C359 -144.9(11) . . . . ?
C351 C343 C348 C338 -133.0(16) . . . . ?
C351 C343 C348 C356 5.9(15) . . . . ?
C351 C352 C353 C345 146.2(13) . . . . ?
C351 C352 C353 C358 5(2) . . . . ?
C351 C359 C360 C357 -129.6(15) . . . . ?
C351 C359 C360 C358 6.4(19) . . . . ?
C352 C351 C359 C356 -142.1(13) . . . . ?
C352 C351 C359 C360 -4(2) . . . . ?
C352 C353 C358 C350 137.5(13) . . . . ?
C352 C353 C358 C360 -3(2) . . . . ?
C353 C358 C360 C357 143.7(13) . . . . ?
C353 C358 C360 C359 -3.2(18) . . . . ?
C354 C355 C357 C349 -134.4(15) . . . . ?
C354 C355 C357 C360 7(2) . . . . ?
C354 C356 C359 C351 142.2(12) . . . . ?
C354 C356 C359 C360 -0.4(17) . . . . ?
C355 C354 C356 C348 138.6(14) . . . . ?
C355 C354 C356 C359 -1(2) . . . . ?
C355 C357 C360 C358 -148.3(12) . . . . ?
C355 C357 C360 C359 -9(2) . . . . ?
C356 C354 C355 C347 -138.7(15) . . . . ?
C356 C354 C355 C357 -2(2) . . . . ?
C356 C359 C360 C357 6(2) . . . . ?
C356 C359 C360 C358 142.4(12) . . . . ?
C357 C349 C350 C341 -142.8(12) . . . . ?
C357 C349 C350 C358 1.4(14) . . . . ?
C359 C351 C352 C344 140.5(13) . . . . ?
C359 C351 C352 C353 -2.2(19) . . . . ?
Au14 N16 C105 C103 -179.8(6) . . . . ?
Au14 N16 C105 C109 3.1(12) . . . . ?
Au14 N17 N18 C195 -174.4(6) . . . . ?
Au14 N17 N18 Au15 4.5(9) . . . . ?
Au14 N17 C194 C193 173.5(7) . . . . ?
Au14 N17 C194 C196 -8.5(15) . . . . ?
Au15 N13 N14 C50 173.3(7) . . . . ?
Au15 N13 N14 Au13 -13.9(9) . . . . ?
Au15 N13 C51 C49 -171.9(7) . . . . ?
Au15 N13 C51 C55 6.4(14) . . . . ?
Au15 N18 C195 C193 -178.9(7) . . . . ?
Au15 N18 C195 C199 2.5(14) . . . . ?
Au13 N14 C50 C49 -172.3(7) . . . . ?
Au13 N14 C50 C52 7.2(14) . . . . ?
Au13 N15 N16 C105 -171.4(5) . . . . ?
Au13 N15 N16 Au14 8.0(7) . . . . ?
Au13 N15 C104 C103 170.0(6) . . . . ?
Au13 N15 C104 C106 -9.8(13) . . . . ?
Au17 N38 C158 C157 166.5(6) . . . . ?
Au17 N38 C158 C160 -14.7(13) . . . . ?
Au17 N39 C86 C85 -165.6(8) . . . . ?
Au17 N39 C86 C88 13.5(13) . . . . ?
Au17 C86 C88 C89 143.7(9) . . . . ?
Au17 C86 C88 C90 -89.0(9) . . . . ?
Au16 N36 N39 C86 172.8(8) . . . . ?
Au16 N36 N39 Au17 -21.9(13) . . . . ?
Au16 N36 C87 C85 -173.3(8) . . . . ?
Au16 N36 C87 C91 6.8(15) . . . . ?
Au16 N40 C213 C211 -177.3(8) . . . . ?
Au16 N40 C213 C217 1.0(16) . . . . ?
Au16 C87 C91 C92 -85.4(11) . . . . ?
Au16 C87 C91 C93 148.2(10) . . . . ?
Au18 N35 N40 C213 -173.1(7) . . . . ?
Au18 N35 N40 Au16 5.9(10) . . . . ?
Au18 N35 C212 C211 167.8(10) . . . . ?
Au18 N35 C212 C214 -14(2) . . . . ?
Au18 N37 N38 C158 173.7(6) . . . . ?
Au18 N37 N38 Au17 6.6(8) . . . . ?
Au18 N37 C159 C157 -170.8(9) . . . . ?
Au18 N37 C159 C163 4.7(17) . . . . ?
Au19 N7 N8 C32 179.7(5) . . . . ?
Au19 N7 N8 Au20 1.5(8) . . . . ?
Au19 N7 C33 C31 178.6(6) . . . . ?
Au19 N7 C33 C34 -6.8(13) . . . . ?
Au19 N12 C141 C139 -161.8(6) . . . . ?
Au19 N12 C141 C145 16.9(12) . . . . ?
Au20 N8 C32 C31 -179.7(6) . . . . ?
Au20 N8 C32 C38 -2.5(13) . . . . ?
Au20 N9 N10 C166 174.8(6) . . . . ?
Au20 N9 N10 Au21 -15.7(8) . . . . ?
Au20 N9 C168 C167 -172.8(6) . . . . ?
Au20 N9 C168 C172 7.5(12) . . . . ?
Au21 N10 C166 C167 -169.3(6) . . . . ?
Au21 N10 C166 C169 12.2(14) . . . . ?
Au21 N11 N12 C141 177.6(5) . . . . ?
Au21 N11 N12 Au19 -17.4(7) . . . . ?
Au21 N11 C140 C139 -177.5(6) . . . . ?
Au21 N11 C140 C142 1.5(11) . . . . ?
Au22 N4 C60 C59 169.3(7) . . . . ?
Au22 N4 C60 C64 -7.4(14) . . . . ?
Au22 N5 N6 C114 171.7(6) . . . . ?
Au22 N5 N6 Au23 -4.4(8) . . . . ?
Au22 N5 C112 C113 -168.6(6) . . . . ?
Au22 N5 C112 C115 10.5(13) . . . . ?
Au23 N1 N2 C3 175.8(7) . . . . ?
Au23 N1 N2 Au24 1.7(10) . . . . ?
Au23 N1 C1 C2 -176.3(7) . . . . ?
Au23 N1 C1 C4 4.5(15) . . . . ?
Au23 N6 C114 C113 173.3(7) . . . . ?
Au23 N6 C114 C118 -4.0(14) . . . . ?
Au24 N2 C3 C2 174.4(7) . . . . ?
Au24 N2 C3 C9 -10.4(15) . . . . ?
Au24 N3 N4 C60 172.3(6) . . . . ?
Au24 N3 N4 Au22 0.0(9) . . . . ?
Au24 N3 C58 C59 -170.1(7) . . . . ?
Au24 N3 C58 C61 14.5(15) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
1.0016 -1.0016 -0.0008 0.0874 -0.0262 -0.0086
1.0014 2.0041 0.9998 -0.0360 0.0011 -0.1690
1.0026 -1.0019 2.0002 0.1268 0.0630 -0.0751
1.9061 13.9251 -8.4464 -0.7534 -0.5176 -0.4055
7.3632 2.8957 11.6438 0.3831 0.2676 -0.8841
0.0007 -1.0021 1.0004 0.0674 0.0504 0.0091
-1.9845 -13.9647 8.3300 0.7499 0.5152 0.4151
-1.0001 -1.0026 2.0016 0.0474 0.1269 0.0269
-1.0006 -1.0025 1.0012 0.0277 0.0823 0.0601
-5.6511 -4.8909 16.4567 0.3319 0.9419 -0.0519
0.4806 2.0156 16.5375 0.2480 0.7102 -0.6589
4.6872 6.3822 12.4279 0.1262 0.3677 -0.9213
1.0006 1.0025 -1.0012 -0.0277 -0.0823 -0.0601
-13.4464 0.5108 10.0121 -0.3613 0.8719 0.3306
-12.7844 1.9901 11.4776 -0.3766 0.9076 0.1857
0.5340 9.8126 12.4024 -0.2024 0.4791 -0.8541
-13.8717 -1.8359 7.2529 -0.3206 0.7760 0.5432
13.3939 -0.6589 -10.1684 0.3632 -0.8763 -0.3165
-12.2603 9.2765 1.9415 -0.8902 0.4237 0.1675
-9.8511 12.2186 4.0521 -0.8932 0.4240 -0.1497
-2.0029 1.0012 0.0015 -0.1271 0.0581 0.0596
8.6227 -12.1019 4.0374 0.9978 -0.0250 -0.0613
-8.8005 11.8492 -4.1965 -0.9960 0.0250 0.0864
-2.0034 1.0014 -0.9990 -0.1468 0.0135 0.0928
2.0034 -1.0014 0.9990 0.1468 -0.0135 -0.0928
-4.7563 -0.0306 -14.5615 -0.4734 -0.4973 0.7271
1.0004 0.0007 -2.0017 0.0003 -0.1211 0.0155
2.0019 -1.0009 -2.0024 0.0878 -0.1473 0.0069
2.1879 -10.1486 -12.8927 0.3168 -0.5858 0.7460
2.0026 -2.0030 -1.0020 0.1552 -0.0969 0.0160
9.3798 -12.7567 -2.3419 0.9337 -0.3297 0.1397
-12.1271 8.9713 -0.2626 -0.9136 0.3230 0.2468
-10.3018 11.8813 1.6278 -0.9426 0.3323 -0.0320
13.0026 -5.3117 2.1527 0.8113 -0.2878 -0.5090
8.9783 -13.0668 -2.6197 0.9271 -0.3275 0.1824
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.656 -0.156 -0.656 2396.2 609.7 '4 CDCl3'
2 0.108 0.115 0.292 17.4 0.0 ?
3 0.093 0.209 0.811 37.6 -1.5 ?
4 0.296 0.278 0.693 23.6 0.3 ?
5 0.364 0.212 0.282 22.4 5.8 ?
6 0.408 0.528 0.778 7.2 0.0 ?
7 0.483 0.880 0.274 7.2 0.0 ?
8 0.517 0.120 0.726 7.2 0.0 ?
9 0.592 0.472 0.222 7.2 0.0 ?
10 0.636 0.788 0.718 22.4 6.1 ?
11 0.704 0.722 0.307 23.6 0.0 ?
12 0.907 0.791 0.189 37.6 0.0 ?
13 0.892 0.885 0.708 17.4 0.0 ?
