#------------------------------------------------------------------------------
#$Date: 2020-07-06 04:44:28 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253775 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/65/7126562.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_7126562
loop_
_publ_author_name
'Yuan, Shang-Fu'
'Li, Jiao-Jiao'
'Guan, Zong-Jie'
'Lei, Zhen'
'Wang, Quan-Ming'
_publ_section_title
;
 Ultrastable hydrido gold nanoclusters with the protection of phosphines.
;
_journal_issue                   51
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              7037
_journal_page_last               7040
_journal_paper_doi               10.1039/d0cc02339f
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C216 H183 Au20 P12,3(F6 Sb),5(CH2 Cl2),H2O'
_chemical_formula_sum            'C221 H195 Au20 Cl10 F18 O P12 Sb3'
_chemical_formula_weight         8236.46
_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     direct
_audit_creation_date             2016-07-24
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2018-09-13 deposited with the CCDC.	2020-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                105.2764(9)
_cell_angle_beta                 92.8279(9)
_cell_angle_gamma                108.2471(9)
_cell_formula_units_Z            2
_cell_length_a                   22.0586(2)
_cell_length_b                   23.0723(2)
_cell_length_c                   26.8383(3)
_cell_measurement_reflns_used    74508
_cell_measurement_temperature    100.1(9)
_cell_measurement_theta_max      76.0120
_cell_measurement_theta_min      4.0070
_cell_volume                     12383.7(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0781
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            125088
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.496
_diffrn_reflns_theta_min         3.450
_exptl_absorpt_coefficient_mu    26.385
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.06733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7e (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   blackish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    2.209
_exptl_crystal_description       sheet
_exptl_crystal_F_000             7542
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.05
_refine_diff_density_max         8.704
_refine_diff_density_min         -7.315
_refine_diff_density_rms         0.604
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2424
_refine_ls_number_reflns         49815
_refine_ls_number_restraints     330
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0911
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1908P)²+317.4109P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2590
_refine_ls_wR_factor_ref         0.2733
_reflns_Friedel_coverage         0.000
_reflns_number_gt                43921
_reflns_number_total             49815
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc02339f2.cif
_cod_data_source_block           ysf072c
_cod_depositor_comments
'Adding full bibliography for 7126562--7126563.cif.'
_cod_database_code               7126562
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 Cl9-C5 = C5-Cl10
 1.7 with sigma of 0.01
 C2-Cl3 = Cl4-C2
 1.7 with sigma of 0.01
 C4-Cl7 = Cl8-C4
 1.7 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C911 \\sim C912 \\sim C913 \\sim C914 \\sim C915 \\sim C916: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C511 \\sim C512 \\sim C513 \\sim C514 \\sim C515 \\sim C516: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C521 \\sim C522 \\sim C523 \\sim C524 \\sim C525 \\sim C526: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C721 \\sim C722 \\sim C723 \\sim C724 \\sim C725 \\sim C726: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C211 \\sim C212 \\sim C213 \\sim C214 \\sim C215 \\sim C216: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C811 \\sim C812 \\sim C813 \\sim C814 \\sim C815 \\sim C816: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02
C711 \\sim C712 \\sim C713 \\sim C714 \\sim C715 \\sim C716: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
C411 \\sim C412 \\sim C413 \\sim C414 \\sim C415 \\sim C416: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.02
C611 \\sim C612 \\sim C613 \\sim C614 \\sim C615 \\sim C616: within 2A with
sigma of 0.001 and sigma for terminal atoms of 0.002
4. Others
 Fixed Sof: Cl5(0.5) Cl6(0.5) C3(0.5) Cl9(0.5) Cl10(0.5) C5(0.5) Cl11(0.5)
 Cl12(0.5) C6(0.5) Cl13(0.5) Cl14(0.5) C7(0.5) O1(0.5) O2(0.5)
5.a Aromatic/amide H refined with riding coordinates:
 C12A(H12A), C13A(H13A), C14A(H14A), C15A(H15A), C16A(H16A), C22A(H22A),
 C23A(H23A), C24A(H24A), C25A(H25A), C26A(H26A), C32A(H32A), C33A(H33A),
 C34A(H34A), C35A(H35A), C36A(H36A), C42A(H42A), C43A(H43A), C44A(H44A),
 C45A(H45A), C46A(H46A), C52A(H52A), C53A(H53A), C54A(H54A), C55A(H55A),
 C56A(H56A), C62A(H62A), C63A(H63A), C64A(H64A), C65A(H65A), C66A(H66A),
 C72A(H72A), C73A(H73A), C74A(H74A), C75A(H75A), C76A(H76A), C82A(H82A),
 C83A(H83A), C84A(H84A), C85A(H85A), C86A(H86A), C92A(H92A), C93A(H93A),
 C94A(H94A), C95A(H95A), C96A(H96A), C112(H112), C113(H113), C114(H114),
 C115(H115), C116(H116), C122(H122), C123(H123), C124(H124), C125(H125),
 C126(H126), C132(H132), C133(H133), C134(H134), C135(H135), C136(H136),
 C212(H212), C213(H213), C214(H214), C215(H215), C216(H216), C222(H222),
 C223(H223), C224(H224), C225(H225), C226(H226), C232(H232), C233(H233),
 C234(H234), C235(H235), C236(H236), C312(H312), C313(H313), C314(H314),
 C315(H315), C316(H316), C322(H322), C323(H323), C324(H324), C325(H325),
 C326(H326), C332(H332), C333(H333), C334(H334), C335(H335), C336(H336),
 C412(H412), C413(H413), C414(H414), C415(H415), C416(H416), C422(H422),
 C423(H423), C424(H424), C425(H425), C426(H426), C432(H432), C433(H433),
 C434(H434), C435(H435), C436(H436), C512(H512), C513(H513), C514(H514),
 C515(H515), C516(H516), C522(H522), C523(H523), C524(H524), C525(H525),
 C526(H526), C532(H532), C533(H533), C534(H534), C535(H535), C536(H536),
 C612(H612), C613(H613), C614(H614), C615(H615), C616(H616), C622(H622),
 C623(H623), C624(H624), C625(H625), C626(H626), C632(H632), C633(H633),
 C634(H634), C635(H635), C636(H636), C712(H712), C713(H713), C714(H714),
 C715(H715), C716(H716), C722(H722), C723(H723), C724(H724), C725(H725),
 C726(H726), C732(H732), C733(H733), C734(H734), C735(H735), C736(H736),
 C812(H812), C813(H813), C814(H814), C815(H815), C816(H816), C822(H822),
 C823(H823), C824(H824), C825(H825), C826(H826), C832(H832), C833(H833),
 C834(H834), C835(H835), C836(H836), C912(H912), C913(H913), C914(H914),
 C915(H915), C916(H916), C922(H922), C923(H923), C924(H924), C925(H925),
 C926(H926), C932(H932), C933(H933), C934(H934), C935(H935), C936(H936)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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 0.26724(3) 0.14674(3) 0.77155(3) 0.02186(14) Uani 1 1 d . . . . .
Au2 Au 0.36901(3) 0.08012(3) 0.75178(3) 0.02276(14) Uani 1 1 d . . . . .
Au3 Au 0.24952(3) 0.10410(3) 0.86587(2) 0.02018(14) Uani 1 1 d . . . . .
Au4 Au 0.15817(3) 0.03055(3) 0.70620(2) 0.01984(13) Uani 1 1 d . . . . .
Au5 Au 0.13425(3) 0.00013(3) 0.80706(2) 0.01732(13) Uani 1 1 d . . . . .
Au6 Au 0.25031(3) 0.02905(3) 0.77326(2) 0.01379(12) Uani 1 1 d . . . . .
Au7 Au 0.26490(3) -0.00888(3) 0.67213(2) 0.02139(14) Uani 1 1 d . . . . .
Au8 Au 0.22626(3) -0.05506(3) 0.83154(2) 0.01714(13) Uani 1 1 d . . . . .
Au9 Au 0.34664(3) 0.04007(3) 0.84556(2) 0.01721(13) Uani 1 1 d . . . . .
Au10 Au 0.30319(3) -0.06410(3) 0.74652(2) 0.01861(13) Uani 1 1 d . . . . .
Au11 Au 0.16307(3) -0.08796(3) 0.72082(2) 0.01851(13) Uani 1 1 d . . . . .
Au12 Au 0.13902(3) -0.20739(3) 0.72678(3) 0.02139(14) Uani 1 1 d . . . . .
Au13 Au 0.18918(3) -0.17623(3) 0.83259(2) 0.01883(13) Uani 1 1 d . . . . .
Au14 Au 0.26897(3) -0.19112(3) 0.71266(2) 0.02034(14) Uani 1 1 d . . . . .
Au15 Au 0.28845(3) -0.30899(3) 0.70133(2) 0.02070(14) Uani 1 1 d . . . . .
Au16 Au 0.17363(3) -0.30116(3) 0.65646(2) 0.02212(14) Uani 1 1 d . . . . .
Au17 Au 0.20487(3) -0.27674(3) 0.76180(2) 0.01746(13) Uani 1 1 d . . . . .
Au18 Au 0.08890(3) -0.28769(3) 0.79520(3) 0.02083(14) Uani 1 1 d . . . . .
Au19 Au 0.20244(3) -0.28551(3) 0.85798(2) 0.01883(13) Uani 1 1 d . . . . .
Au20 Au 0.24509(3) -0.36685(3) 0.77947(3) 0.02045(14) Uani 1 1 d . . . . .
P1 P 0.2751(2) 0.24847(18) 0.77293(16) 0.0235(8) Uani 1 1 d . . . . .
P2 P 0.47479(19) 0.1281(2) 0.74253(16) 0.0247(8) Uani 1 1 d . . . . .
P3 P 0.25863(17) 0.16533(17) 0.94988(14) 0.0172(7) Uani 1 1 d . . . . .
P4 P 0.08444(19) 0.03323(18) 0.64464(15) 0.0210(7) Uani 1 1 d . . . . .
P5 P 0.03341(16) -0.03672(18) 0.82925(15) 0.0185(7) Uani 1 1 d . . . . .
P6 P 0.41503(17) 0.03147(18) 0.90816(15) 0.0181(7) Uani 1 1 d . . . . .
P7 P 0.2937(2) -0.0364(2) 0.59100(17) 0.0286(9) Uani 1 1 d . . . . .
P8 P 0.10418(19) -0.38136(18) 0.58909(15) 0.0218(7) Uani 1 1 d . . . . .
P9 P 0.36963(18) -0.31768(19) 0.65391(15) 0.0217(7) Uani 1 1 d . . . . .
P10 P 0.20943(18) -0.28602(18) 0.94365(14) 0.0191(7) Uani 1 1 d . . . . .
P11 P -0.01615(17) -0.35141(18) 0.79020(16) 0.0206(7) Uani 1 1 d . . . . .
P12 P 0.2616(2) -0.45948(18) 0.78159(16) 0.0218(7) Uani 1 1 d . . . . .
C11A C 0.2099(7) -0.2117(8) 0.9884(6) 0.022(3) Uani 1 1 d . . . . .
C12A C 0.1945(7) -0.2068(7) 1.0394(8) 0.029(4) Uani 1 1 d . . . . .
H12A H 0.1819 -0.2435 1.0514 0.035 Uiso 1 1 calc R . . . .
C13A C 0.1981(8) -0.1470(8) 1.0723(7) 0.027(3) Uani 1 1 d . . . . .
H13A H 0.1883 -0.1434 1.1068 0.032 Uiso 1 1 calc R . . . .
C14A C 0.2156(8) -0.0941(8) 1.0554(7) 0.029(4) Uani 1 1 d . . . . .
H14A H 0.2172 -0.0542 1.0780 0.035 Uiso 1 1 calc R . . . .
C15A C 0.2312(7) -0.0984(7) 1.0047(7) 0.023(3) Uani 1 1 d . . . . .
H15A H 0.2434 -0.0616 0.9928 0.028 Uiso 1 1 calc R . . . .
C16A C 0.2285(8) -0.1564(8) 0.9727(7) 0.026(3) Uani 1 1 d . . . . .
H16A H 0.2396 -0.1591 0.9386 0.031 Uiso 1 1 calc R . . . .
C21A C 0.1423(8) -0.3498(8) 0.9539(7) 0.026(3) Uani 1 1 d . . . . .
C22A C 0.0891(8) -0.3761(8) 0.9160(7) 0.024(3) Uani 1 1 d . . . . .
H22A H 0.0887 -0.3628 0.8854 0.029 Uiso 1 1 calc R . . . .
C23A C 0.0343(8) -0.4240(8) 0.9241(7) 0.027(3) Uani 1 1 d . . . . .
H23A H -0.0025 -0.4442 0.8980 0.032 Uiso 1 1 calc R . . . .
C24A C 0.0347(8) -0.4411(8) 0.9695(7) 0.029(4) Uani 1 1 d . . . . .
H24A H -0.0025 -0.4719 0.9750 0.035 Uiso 1 1 calc R . . . .
C25A C 0.0881(8) -0.4141(9) 1.0067(7) 0.030(4) Uani 1 1 d . . . . .
H25A H 0.0878 -0.4268 1.0377 0.036 Uiso 1 1 calc R . . . .
C26A C 0.1435(9) -0.3676(7) 0.9995(7) 0.028(3) Uani 1 1 d . . . . .
H26A H 0.1808 -0.3490 1.0252 0.033 Uiso 1 1 calc R . . . .
C31A C 0.2799(7) -0.3013(7) 0.9671(6) 0.018(3) Uani 1 1 d . . . . .
C32A C 0.3041(9) -0.2843(8) 1.0207(7) 0.029(4) Uani 1 1 d . . . . .
H32A H 0.2871 -0.2586 1.0458 0.035 Uiso 1 1 calc R . . . .
C33A C 0.3515(10) -0.3043(10) 1.0366(8) 0.037(4) Uani 1 1 d . . . . .
H33A H 0.3669 -0.2929 1.0728 0.044 Uiso 1 1 calc R . . . .
C34A C 0.3772(9) -0.3411(9) 1.0004(8) 0.036(4) Uani 1 1 d . . . . .
H34A H 0.4091 -0.3564 1.0118 0.043 Uiso 1 1 calc R . . . .
C35A C 0.3563(8) -0.3560(8) 0.9467(7) 0.028(3) Uani 1 1 d . . . . .
H35A H 0.3761 -0.3786 0.9217 0.034 Uiso 1 1 calc R . . . .
C36A C 0.3073(7) -0.3378(8) 0.9310(6) 0.025(3) Uani 1 1 d . . . . .
H36A H 0.2915 -0.3501 0.8949 0.030 Uiso 1 1 calc R . . . .
C41A C -0.0585(7) -0.3184(7) 0.8388(6) 0.020(3) Uani 1 1 d . . . . .
C42A C -0.0920(8) -0.2796(9) 0.8314(8) 0.030(4) Uani 1 1 d . . . . .
H42A H -0.0949 -0.2713 0.7987 0.036 Uiso 1 1 calc R . . . .
C43A C -0.1224(11) -0.2519(12) 0.8717(10) 0.047(5) Uani 1 1 d . . . . .
H43A H -0.1457 -0.2257 0.8652 0.057 Uiso 1 1 calc R . . . .
C44A C -0.1188(8) -0.2620(8) 0.9207(8) 0.031(4) Uani 1 1 d . . . . .
H44A H -0.1405 -0.2447 0.9473 0.038 Uiso 1 1 calc R . . . .
C45A C -0.0825(10) -0.2982(10) 0.9284(7) 0.037(4) Uani 1 1 d . . . . .
H45A H -0.0780 -0.3048 0.9616 0.044 Uiso 1 1 calc R . . . .
C46A C -0.0521(10) -0.3257(10) 0.8896(6) 0.035(4) Uani 1 1 d . . . . .
H46A H -0.0266 -0.3497 0.8970 0.042 Uiso 1 1 calc R . . . .
C51A C -0.0261(7) -0.4306(8) 0.7952(7) 0.027(3) Uani 1 1 d . . . . .
C52A C 0.0242(9) -0.4552(9) 0.7884(7) 0.033(4) Uani 1 1 d . . . . .
H52A H 0.0645 -0.4293 0.7825 0.039 Uiso 1 1 calc R . . . .
C53A C 0.0168(9) -0.5165(9) 0.7900(7) 0.032(4) Uani 1 1 d . . . . .
H53A H 0.0522 -0.5317 0.7863 0.038 Uiso 1 1 calc R . . . .
C54A C -0.0400(12) -0.5540(9) 0.7966(8) 0.044(5) Uani 1 1 d . . . . .
H54A H -0.0453 -0.5966 0.7963 0.053 Uiso 1 1 calc R . . . .
C55A C -0.0938(10) -0.5308(10) 0.8044(9) 0.042(5) Uani 1 1 d . . . . .
H55A H -0.1343 -0.5572 0.8093 0.050 Uiso 1 1 calc R . . . .
C56A C -0.0838(9) -0.4712(9) 0.8043(8) 0.035(4) Uani 1 1 d . . . . .
H56A H -0.1180 -0.4548 0.8109 0.042 Uiso 1 1 calc R . . . .
C61A C -0.0643(10) -0.3645(10) 0.7292(8) 0.036(4) Uani 1 1 d . . . . .
C62A C -0.1158(11) -0.4185(11) 0.7081(9) 0.045(5) Uani 1 1 d . . . . .
H62A H -0.1248 -0.4540 0.7216 0.054 Uiso 1 1 calc R . . . .
C63A C -0.1557(12) -0.4188(11) 0.6645(8) 0.047(5) Uani 1 1 d . . . . .
H63A H -0.1949 -0.4536 0.6515 0.057 Uiso 1 1 calc R . . . .
C64A C -0.1416(12) -0.3738(12) 0.6411(8) 0.047(5) Uani 1 1 d . . . . .
H64A H -0.1679 -0.3784 0.6102 0.057 Uiso 1 1 calc R . . . .
C65A C -0.0891(11) -0.3206(11) 0.6617(9) 0.043(5) Uani 1 1 d . . . . .
H65A H -0.0792 -0.2871 0.6458 0.052 Uiso 1 1 calc R . . . .
C66A C -0.0513(13) -0.3156(12) 0.7044(10) 0.051(6) Uani 1 1 d . . . . .
H66A H -0.0147 -0.2781 0.7185 0.061 Uiso 1 1 calc R . . . .
C71A C 0.2420(8) -0.4848(7) 0.8392(6) 0.019(3) Uani 1 1 d . . . . .
C72A C 0.1865(8) -0.4768(8) 0.8593(7) 0.028(3) Uani 1 1 d . . . . .
H72A H 0.1601 -0.4606 0.8418 0.033 Uiso 1 1 calc R . . . .
C73A C 0.1705(9) -0.4922(9) 0.9037(7) 0.035(4) Uani 1 1 d . . . . .
H73A H 0.1327 -0.4867 0.9166 0.041 Uiso 1 1 calc R . . . .
C74A C 0.2083(11) -0.5159(8) 0.9308(7) 0.037(5) Uani 1 1 d . . . . .
H74A H 0.1979 -0.5252 0.9624 0.045 Uiso 1 1 calc R . . . .
C75A C 0.2633(9) -0.5256(9) 0.9087(7) 0.033(4) Uani 1 1 d . . . . .
H75A H 0.2898 -0.5427 0.9251 0.040 Uiso 1 1 calc R . . . .
C76A C 0.2776(8) -0.5104(8) 0.8642(7) 0.028(3) Uani 1 1 d . . . . .
H76A H 0.3139 -0.5178 0.8499 0.034 Uiso 1 1 calc R . . . .
C81A C 0.3437(7) -0.4560(7) 0.7785(6) 0.020(3) Uani 1 1 d . . . . .
C82A C 0.3943(9) -0.3999(9) 0.8037(8) 0.036(4) Uani 1 1 d . . . . .
H82A H 0.3854 -0.3625 0.8210 0.043 Uiso 1 1 calc R . . . .
C83A C 0.4582(9) -0.3983(10) 0.8039(9) 0.042(5) Uani 1 1 d . . . . .
H83A H 0.4921 -0.3601 0.8223 0.051 Uiso 1 1 calc R . . . .
C84A C 0.4729(9) -0.4511(10) 0.7779(9) 0.039(4) Uani 1 1 d . . . . .
H84A H 0.5166 -0.4493 0.7783 0.047 Uiso 1 1 calc R . . . .
C85A C 0.4241(9) -0.5063(9) 0.7515(8) 0.035(4) Uani 1 1 d . . . . .
H85A H 0.4344 -0.5424 0.7329 0.041 Uiso 1 1 calc R . . . .
C86A C 0.3587(8) -0.5109(8) 0.7512(7) 0.027(3) Uani 1 1 d . . . . .
H86A H 0.3253 -0.5498 0.7333 0.033 Uiso 1 1 calc R . . . .
C91A C 0.2151(9) -0.5246(8) 0.7279(7) 0.026(3) Uani 1 1 d . . . . .
C92A C 0.1699(9) -0.5806(8) 0.7328(7) 0.028(3) Uani 1 1 d . . . . .
H92A H 0.1631 -0.5862 0.7661 0.034 Uiso 1 1 calc R . . . .
C93A C 0.1338(10) -0.6296(8) 0.6854(9) 0.040(5) Uani 1 1 d . . . . .
H93A H 0.1046 -0.6682 0.6888 0.048 Uiso 1 1 calc R . . . .
C94A C 0.1389(9) -0.6240(8) 0.6389(7) 0.031(4) Uani 1 1 d . . . . .
H94A H 0.1140 -0.6572 0.6089 0.037 Uiso 1 1 calc R . . . .
C95A C 0.1828(9) -0.5666(9) 0.6342(7) 0.033(4) Uani 1 1 d . . . . .
H95A H 0.1867 -0.5620 0.6002 0.039 Uiso 1 1 calc R . . . .
C96A C 0.2189(8) -0.5185(7) 0.6750(6) 0.022(3) Uani 1 1 d . . . . .
H96A H 0.2469 -0.4806 0.6697 0.027 Uiso 1 1 calc R . . . .
C111 C 0.3322(8) 0.3117(7) 0.8257(7) 0.025(3) Uani 1 1 d . . . . .
C112 C 0.3754(8) 0.3668(8) 0.8198(8) 0.032(4) Uani 1 1 d . . . . .
H112 H 0.3783 0.3717 0.7858 0.039 Uiso 1 1 calc R . . . .
C113 C 0.4141(10) 0.4144(9) 0.8620(8) 0.039(4) Uani 1 1 d . . . . .
H113 H 0.4430 0.4519 0.8566 0.047 Uiso 1 1 calc R . . . .
C114 C 0.4122(9) 0.4093(9) 0.9116(8) 0.035(4) Uani 1 1 d . . . . .
H114 H 0.4400 0.4423 0.9404 0.042 Uiso 1 1 calc R . . . .
C115 C 0.3681(10) 0.3542(8) 0.9190(7) 0.032(4) Uani 1 1 d . . . . .
H115 H 0.3650 0.3508 0.9534 0.038 Uiso 1 1 calc R . . . .
C116 C 0.3293(8) 0.3049(9) 0.8770(8) 0.032(4) Uani 1 1 d . . . . .
H116 H 0.3011 0.2670 0.8823 0.038 Uiso 1 1 calc R . . . .
C121 C 0.1984(7) 0.2616(7) 0.7812(6) 0.020(3) Uani 1 1 d . . . . .
C122 C 0.1446(8) 0.2143(9) 0.7538(8) 0.035(4) Uani 1 1 d . . . . .
H122 H 0.1462 0.1752 0.7320 0.042 Uiso 1 1 calc R . . . .
C123 C 0.0863(9) 0.2258(9) 0.7589(8) 0.035(4) Uani 1 1 d . . . . .
H123 H 0.0477 0.1934 0.7398 0.042 Uiso 1 1 calc R . . . .
C124 C 0.0816(8) 0.2839(8) 0.7915(7) 0.029(4) Uani 1 1 d . . . . .
H124 H 0.0413 0.2906 0.7928 0.035 Uiso 1 1 calc R . . . .
C125 C 0.1376(9) 0.3304(8) 0.8212(7) 0.030(4) Uani 1 1 d . . . . .
H125 H 0.1360 0.3681 0.8453 0.036 Uiso 1 1 calc R . . . .
C126 C 0.1966(9) 0.3202(8) 0.8147(7) 0.028(3) Uani 1 1 d . . . . .
H126 H 0.2357 0.3526 0.8329 0.033 Uiso 1 1 calc R . . . .
C131 C 0.2980(8) 0.2704(8) 0.7147(6) 0.028(4) Uani 1 1 d . . . . .
C132 C 0.3408(10) 0.2428(8) 0.6859(7) 0.033(4) Uani 1 1 d . . . . .
H132 H 0.3546 0.2118 0.6957 0.040 Uiso 1 1 calc R . . . .
C133 C 0.3606(10) 0.2628(10) 0.6445(8) 0.038(4) Uani 1 1 d . . . . .
H133 H 0.3903 0.2465 0.6260 0.045 Uiso 1 1 calc R . . . .
C134 C 0.3391(12) 0.3067(10) 0.6278(8) 0.041(5) Uani 1 1 d . . . . .
H134 H 0.3536 0.3191 0.5982 0.049 Uiso 1 1 calc R . . . .
C135 C 0.2976(10) 0.3312(7) 0.6540(6) 0.030(4) Uani 1 1 d . . . . .
H135 H 0.2839 0.3615 0.6427 0.036 Uiso 1 1 calc R . . . .
C136 C 0.2739(8) 0.3129(8) 0.6978(8) 0.029(4) Uani 1 1 d . . . . .
H136 H 0.2431 0.3287 0.7150 0.035 Uiso 1 1 calc R . . . .
C211 C 0.4923(11) 0.1450(13) 0.6814(9) 0.049(4) Uani 1 1 d . U . . .
C212 C 0.5091(13) 0.1019(14) 0.6423(10) 0.061(5) Uani 1 1 d . U . . .
H212 H 0.5108 0.0629 0.6467 0.073 Uiso 1 1 calc R . . . .
C213 C 0.5234(14) 0.1178(15) 0.5958(11) 0.067(5) Uani 1 1 d . U . . .
H213 H 0.5344 0.0885 0.5687 0.081 Uiso 1 1 calc R . . . .
C214 C 0.5220(13) 0.1750(15) 0.5883(10) 0.064(5) Uani 1 1 d . U . . .
H214 H 0.5309 0.1842 0.5564 0.077 Uiso 1 1 calc R . . . .
C215 C 0.5075(13) 0.2174(15) 0.6274(10) 0.060(4) Uani 1 1 d . U . . .
H215 H 0.5079 0.2573 0.6236 0.072 Uiso 1 1 calc R . . . .
C216 C 0.4920(11) 0.2016(13) 0.6735(9) 0.051(4) Uani 1 1 d . U . . .
H216 H 0.4809 0.2311 0.7002 0.061 Uiso 1 1 calc R . . . .
C221 C 0.5255(8) 0.0801(8) 0.7510(7) 0.029(4) Uani 1 1 d . . . . .
C222 C 0.4978(10) 0.0240(10) 0.7647(8) 0.039(4) Uani 1 1 d . . . . .
H222 H 0.4537 0.0116 0.7695 0.046 Uiso 1 1 calc R . . . .
C223 C 0.5325(10) -0.0123(10) 0.7712(10) 0.045(5) Uani 1 1 d . . . . .
H223 H 0.5139 -0.0489 0.7824 0.053 Uiso 1 1 calc R . . . .
C224 C 0.5987(12) 0.0043(13) 0.7609(12) 0.060(7) Uani 1 1 d . . . . .
H224 H 0.6235 -0.0219 0.7641 0.072 Uiso 1 1 calc R . . . .
C225 C 0.6247(10) 0.0585(11) 0.7466(13) 0.062(8) Uani 1 1 d . . . . .
H225 H 0.6683 0.0705 0.7405 0.075 Uiso 1 1 calc R . . . .
C226 C 0.5888(10) 0.0957(10) 0.7410(10) 0.046(5) Uani 1 1 d . . . . .
H226 H 0.6074 0.1326 0.7302 0.056 Uiso 1 1 calc R . . . .
C231 C 0.5092(8) 0.2064(8) 0.7904(7) 0.026(3) Uani 1 1 d . . . . .
C232 C 0.5741(8) 0.2432(9) 0.7954(9) 0.035(4) Uani 1 1 d . . . . .
H232 H 0.6025 0.2263 0.7757 0.042 Uiso 1 1 calc R . . . .
C233 C 0.5962(9) 0.3035(9) 0.8285(10) 0.043(5) Uani 1 1 d . . . . .
H233 H 0.6403 0.3283 0.8313 0.052 Uiso 1 1 calc R . . . .
C234 C 0.5576(12) 0.3299(9) 0.8581(10) 0.046(5) Uani 1 1 d . . . . .
H234 H 0.5751 0.3727 0.8800 0.055 Uiso 1 1 calc R . . . .
C235 C 0.4911(10) 0.2941(8) 0.8567(7) 0.033(4) Uani 1 1 d . . . . .
H235 H 0.4636 0.3106 0.8779 0.039 Uiso 1 1 calc R . . . .
C236 C 0.4696(8) 0.2315(8) 0.8206(7) 0.026(3) Uani 1 1 d . . . . .
H236 H 0.4257 0.2058 0.8173 0.032 Uiso 1 1 calc R . . . .
C311 C 0.2137(7) 0.1190(7) 0.9903(6) 0.018(3) Uani 1 1 d . . . . .
C312 C 0.1882(8) 0.0514(8) 0.9661(8) 0.034(4) Uani 1 1 d . . . . .
H312 H 0.1936 0.0331 0.9312 0.041 Uiso 1 1 calc R . . . .
C313 C 0.1551(9) 0.0134(7) 0.9956(7) 0.028(3) Uani 1 1 d . . . . .
H313 H 0.1369 -0.0315 0.9803 0.033 Uiso 1 1 calc R . . . .
C314 C 0.1483(7) 0.0391(8) 1.0454(7) 0.024(3) Uani 1 1 d . . . . .
H314 H 0.1263 0.0120 1.0647 0.029 Uiso 1 1 calc R . . . .
C315 C 0.1733(9) 0.1054(9) 1.0691(7) 0.031(4) Uani 1 1 d . . . . .
H315 H 0.1684 0.1227 1.1043 0.037 Uiso 1 1 calc R . . . .
C316 C 0.2050(7) 0.1454(8) 1.0412(6) 0.024(3) Uani 1 1 d . . . . .
H316 H 0.2206 0.1904 1.0566 0.028 Uiso 1 1 calc R . . . .
C321 C 0.2275(7) 0.2291(7) 0.9562(7) 0.024(3) Uani 1 1 d . . . . .
C322 C 0.1780(7) 0.2239(8) 0.9202(7) 0.024(3) Uani 1 1 d . . . . .
H322 H 0.1618 0.1868 0.8910 0.028 Uiso 1 1 calc R . . . .
C323 C 0.1508(8) 0.2733(8) 0.9260(8) 0.030(4) Uani 1 1 d . . . . .
H323 H 0.1150 0.2677 0.9019 0.036 Uiso 1 1 calc R . . . .
C324 C 0.1750(10) 0.3265(9) 0.9646(8) 0.035(4) Uani 1 1 d . . . . .
H324 H 0.1584 0.3602 0.9660 0.041 Uiso 1 1 calc R . . . .
C325 C 0.2241(10) 0.3352(8) 1.0035(7) 0.034(4) Uani 1 1 d . . . . .
H325 H 0.2381 0.3729 1.0323 0.041 Uiso 1 1 calc R . . . .
C326 C 0.2533(8) 0.2872(7) 0.9999(6) 0.024(3) Uani 1 1 d . . . . .
H326 H 0.2881 0.2929 1.0251 0.028 Uiso 1 1 calc R . . . .
C331 C 0.3415(7) 0.2014(7) 0.9810(6) 0.019(3) Uani 1 1 d . . . . .
C332 C 0.3901(8) 0.2115(8) 0.9482(7) 0.028(3) Uani 1 1 d . . . . .
H332 H 0.3787 0.2004 0.9114 0.033 Uiso 1 1 calc R . . . .
C333 C 0.4547(8) 0.2378(9) 0.9706(8) 0.031(4) Uani 1 1 d . . . . .
H333 H 0.4871 0.2441 0.9487 0.037 Uiso 1 1 calc R . . . .
C334 C 0.4727(9) 0.2548(8) 1.0229(7) 0.030(4) Uani 1 1 d . . . . .
H334 H 0.5170 0.2738 1.0372 0.037 Uiso 1 1 calc R . . . .
C335 C 0.4259(8) 0.2442(8) 1.0558(7) 0.029(3) Uani 1 1 d . . . . .
H335 H 0.4378 0.2555 1.0925 0.034 Uiso 1 1 calc R . . . .
C336 C 0.3602(8) 0.2161(7) 1.0330(7) 0.025(3) Uani 1 1 d . . . . .
H336 H 0.3281 0.2074 1.0550 0.030 Uiso 1 1 calc R . . . .
C411 C 0.1083(9) 0.1061(8) 0.6244(7) 0.0282(15) Uani 1 1 d . U . . .
C412 C 0.1688(9) 0.1248(8) 0.6114(7) 0.0285(15) Uani 1 1 d . U . . .
H412 H 0.1971 0.1016 0.6134 0.034 Uiso 1 1 calc R . . . .
C413 C 0.1879(9) 0.1815(8) 0.5944(7) 0.0289(15) Uani 1 1 d . U . . .
H413 H 0.2294 0.1954 0.5841 0.035 Uiso 1 1 calc R . . . .
C414 C 0.1473(9) 0.2155(8) 0.5928(7) 0.0289(15) Uani 1 1 d . U . . .
H414 H 0.1607 0.2526 0.5813 0.035 Uiso 1 1 calc R . . . .
C415 C 0.0867(9) 0.1963(8) 0.6077(7) 0.0287(15) Uani 1 1 d . U . . .
H415 H 0.0593 0.2208 0.6073 0.034 Uiso 1 1 calc R . . . .
C416 C 0.0660(9) 0.1413(8) 0.6234(7) 0.0284(15) Uani 1 1 d . U . . .
H416 H 0.0242 0.1275 0.6332 0.034 Uiso 1 1 calc R . . . .
C421 C 0.0066(8) 0.0257(8) 0.6640(7) 0.027(3) Uani 1 1 d . . . . .
C422 C 0.0018(8) 0.0575(7) 0.7152(6) 0.021(3) Uani 1 1 d . . . . .
H422 H 0.0397 0.0797 0.7400 0.026 Uiso 1 1 calc R . . . .
C423 C -0.0569(11) 0.0570(11) 0.7299(9) 0.043(5) Uani 1 1 d . . . . .
H423 H -0.0595 0.0806 0.7641 0.052 Uiso 1 1 calc R . . . .
C424 C -0.1121(11) 0.0222(13) 0.6949(12) 0.056(6) Uani 1 1 d . . . . .
H424 H -0.1528 0.0205 0.7057 0.068 Uiso 1 1 calc R . . . .
C425 C -0.1094(9) -0.0106(10) 0.6440(9) 0.042(5) Uani 1 1 d . . . . .
H425 H -0.1480 -0.0346 0.6203 0.050 Uiso 1 1 calc R . . . .
C426 C -0.0513(9) -0.0082(10) 0.6284(8) 0.035(4) Uani 1 1 d . . . . .
H426 H -0.0494 -0.0294 0.5933 0.042 Uiso 1 1 calc R . . . .
C431 C 0.0737(10) -0.0280(8) 0.5848(7) 0.033(4) Uani 1 1 d . . . . .
C432 C 0.0757(9) -0.0873(8) 0.5855(8) 0.031(4) Uani 1 1 d . . . . .
H432 H 0.0835 -0.0941 0.6183 0.037 Uiso 1 1 calc R . . . .
C433 C 0.0671(12) -0.1357(10) 0.5415(8) 0.045(5) Uani 1 1 d . . . . .
H433 H 0.0679 -0.1758 0.5439 0.054 Uiso 1 1 calc R . . . .
C434 C 0.0568(11) -0.1272(10) 0.4922(9) 0.047(6) Uani 1 1 d . . . . .
H434 H 0.0515 -0.1608 0.4611 0.057 Uiso 1 1 calc R . . . .
C435 C 0.0547(11) -0.0680(10) 0.4900(7) 0.038(4) Uani 1 1 d . . . . .
H435 H 0.0483 -0.0611 0.4571 0.046 Uiso 1 1 calc R . . . .
C436 C 0.0617(9) -0.0195(9) 0.5349(7) 0.032(4) Uani 1 1 d . . . . .
H436 H 0.0586 0.0199 0.5327 0.039 Uiso 1 1 calc R . . . .
C511 C 0.0310(8) -0.0761(8) 0.8795(7) 0.0265(14) Uani 1 1 d . U . . .
C512 C 0.0591(8) -0.1256(8) 0.8720(7) 0.0264(14) Uani 1 1 d . U . . .
H512 H 0.0785 -0.1357 0.8416 0.032 Uiso 1 1 calc R . . . .
C513 C 0.0587(8) -0.1590(8) 0.9081(7) 0.0263(14) Uani 1 1 d . U . . .
H513 H 0.0788 -0.1906 0.9031 0.032 Uiso 1 1 calc R . . . .
C514 C 0.0279(8) -0.1451(8) 0.9525(7) 0.0263(14) Uani 1 1 d . U . . .
H514 H 0.0261 -0.1682 0.9772 0.032 Uiso 1 1 calc R . . . .
C515 C 0.0001(8) -0.0970(8) 0.9597(7) 0.0264(14) Uani 1 1 d . U . . .
H515 H -0.0199 -0.0872 0.9899 0.032 Uiso 1 1 calc R . . . .
C516 C 0.0012(8) -0.0641(8) 0.9241(7) 0.0266(14) Uani 1 1 d . U . . .
H516 H -0.0187 -0.0324 0.9297 0.032 Uiso 1 1 calc R . . . .
C521 C -0.0244(7) -0.0957(7) 0.7744(6) 0.020(3) Uani 1 1 d . U . . .
C522 C -0.0804(8) -0.1391(8) 0.7833(7) 0.029(3) Uani 1 1 d . U . . .
H522 H -0.0870 -0.1408 0.8177 0.035 Uiso 1 1 calc R . . . .
C523 C -0.1261(10) -0.1796(10) 0.7405(8) 0.041(4) Uani 1 1 d . U . . .
H523 H -0.1650 -0.2084 0.7458 0.049 Uiso 1 1 calc R . . . .
C524 C -0.1150(9) -0.1783(9) 0.6895(8) 0.039(3) Uani 1 1 d . U . . .
H524 H -0.1460 -0.2062 0.6603 0.046 Uiso 1 1 calc R . . . .
C525 C -0.0581(9) -0.1356(9) 0.6826(8) 0.037(3) Uani 1 1 d . U . . .
H525 H -0.0500 -0.1344 0.6484 0.044 Uiso 1 1 calc R . . . .
C526 C -0.0135(8) -0.0951(8) 0.7248(7) 0.030(3) Uani 1 1 d . U . . .
H526 H 0.0254 -0.0663 0.7195 0.036 Uiso 1 1 calc R . . . .
C531 C -0.0014(7) 0.0235(8) 0.8546(6) 0.023(3) Uani 1 1 d . . . . .
C532 C -0.0676(8) 0.0150(10) 0.8428(7) 0.030(4) Uani 1 1 d . . . . .
H532 H -0.0957 -0.0243 0.8199 0.037 Uiso 1 1 calc R . . . .
C533 C -0.0914(8) 0.0628(9) 0.8638(7) 0.027(3) Uani 1 1 d . . . . .
H533 H -0.1357 0.0562 0.8546 0.032 Uiso 1 1 calc R . . . .
C534 C -0.0526(9) 0.1204(9) 0.8980(8) 0.035(4) Uani 1 1 d . . . . .
H534 H -0.0702 0.1527 0.9127 0.042 Uiso 1 1 calc R . . . .
C535 C 0.0125(9) 0.1304(10) 0.9105(9) 0.039(4) Uani 1 1 d . . . . .
H535 H 0.0397 0.1700 0.9336 0.046 Uiso 1 1 calc R . . . .
C536 C 0.0387(9) 0.0814(8) 0.8889(7) 0.032(4) Uani 1 1 d . . . . .
H536 H 0.0831 0.0883 0.8978 0.038 Uiso 1 1 calc R . . . .
C611 C 0.3992(8) -0.0532(8) 0.8987(7) 0.0249(14) Uani 1 1 d . U . . .
C612 C 0.3945(8) -0.0933(8) 0.8481(7) 0.0251(14) Uani 1 1 d . U . . .
H612 H 0.4011 -0.0750 0.8201 0.030 Uiso 1 1 calc R . . . .
C613 C 0.3804(8) -0.1587(8) 0.8377(7) 0.0255(14) Uani 1 1 d . U . . .
H613 H 0.3775 -0.1849 0.8032 0.031 Uiso 1 1 calc R . . . .
C614 C 0.3710(8) -0.1843(8) 0.8781(7) 0.0255(14) Uani 1 1 d . U . . .
H614 H 0.3617 -0.2290 0.8714 0.031 Uiso 1 1 calc R . . . .
C615 C 0.3747(8) -0.1469(8) 0.9292(7) 0.0254(14) Uani 1 1 d . U . . .
H615 H 0.3671 -0.1655 0.9569 0.030 Uiso 1 1 calc R . . . .
C616 C 0.3896(8) -0.0818(8) 0.9381(7) 0.0250(14) Uani 1 1 d . U . . .
H616 H 0.3935 -0.0557 0.9728 0.030 Uiso 1 1 calc R . . . .
C621 C 0.4057(7) 0.0621(7) 0.9760(6) 0.021(3) Uani 1 1 d . . . . .
C622 C 0.3431(7) 0.0518(8) 0.9891(7) 0.025(3) Uani 1 1 d . . . . .
H622 H 0.3069 0.0341 0.9624 0.030 Uiso 1 1 calc R . . . .
C623 C 0.3340(8) 0.0677(8) 1.0413(6) 0.026(3) Uani 1 1 d . . . . .
H623 H 0.2917 0.0575 1.0504 0.031 Uiso 1 1 calc R . . . .
C624 C 0.3856(10) 0.0977(9) 1.0787(7) 0.034(4) Uani 1 1 d . . . . .
H624 H 0.3791 0.1115 1.1140 0.041 Uiso 1 1 calc R . . . .
C625 C 0.4490(9) 0.1092(8) 1.0669(7) 0.029(3) Uani 1 1 d . . . . .
H625 H 0.4848 0.1288 1.0940 0.034 Uiso 1 1 calc R . . . .
C626 C 0.4587(7) 0.0918(8) 1.0155(6) 0.025(3) Uani 1 1 d . . . . .
H626 H 0.5012 0.0999 1.0070 0.030 Uiso 1 1 calc R . . . .
C631 C 0.5003(7) 0.0637(7) 0.9037(6) 0.021(3) Uani 1 1 d . . . . .
C632 C 0.5211(8) 0.1177(8) 0.8865(7) 0.028(4) Uani 1 1 d . . . . .
H632 H 0.4905 0.1357 0.8773 0.034 Uiso 1 1 calc R . . . .
C633 C 0.5861(8) 0.1459(9) 0.8827(8) 0.035(4) Uani 1 1 d . . . . .
H633 H 0.6008 0.1835 0.8721 0.042 Uiso 1 1 calc R . . . .
C634 C 0.6293(7) 0.1157(9) 0.8953(7) 0.030(4) Uani 1 1 d . . . . .
H634 H 0.6735 0.1326 0.8918 0.036 Uiso 1 1 calc R . . . .
C635 C 0.6090(8) 0.0627(10) 0.9125(7) 0.031(4) Uani 1 1 d . . . . .
H635 H 0.6396 0.0449 0.9220 0.038 Uiso 1 1 calc R . . . .
C636 C 0.5443(8) 0.0346(9) 0.9164(7) 0.027(3) Uani 1 1 d . . . . .
H636 H 0.5302 -0.0029 0.9273 0.033 Uiso 1 1 calc R . . . .
C711 C 0.2903(13) 0.0164(11) 0.5524(9) 0.051(2) Uani 1 1 d . U . . .
C712 C 0.3431(13) 0.0716(11) 0.5589(9) 0.051(2) Uani 1 1 d . U . . .
H712 H 0.3813 0.0792 0.5812 0.061 Uiso 1 1 calc R . . . .
C713 C 0.3404(13) 0.1159(11) 0.5326(9) 0.051(2) Uani 1 1 d . U . . .
H713 H 0.3773 0.1519 0.5349 0.061 Uiso 1 1 calc R . . . .
C714 C 0.2830(13) 0.1062(11) 0.5035(9) 0.051(2) Uani 1 1 d . U . . .
H714 H 0.2798 0.1375 0.4875 0.061 Uiso 1 1 calc R . . . .
C715 C 0.2285(13) 0.0504(11) 0.4969(9) 0.051(2) Uani 1 1 d . U . . .
H715 H 0.1899 0.0427 0.4750 0.061 Uiso 1 1 calc R . . . .
C716 C 0.2336(13) 0.0074(11) 0.5235(9) 0.051(2) Uani 1 1 d . U . . .
H716 H 0.1970 -0.0288 0.5215 0.061 Uiso 1 1 calc R . . . .
C721 C 0.2442(10) -0.1148(8) 0.5515(7) 0.033(3) Uani 1 1 d . U . . .
C722 C 0.2413(12) -0.1351(9) 0.4957(7) 0.041(4) Uani 1 1 d . U . . .
H722 H 0.2632 -0.1058 0.4781 0.050 Uiso 1 1 calc R . . . .
C723 C 0.2069(13) -0.1971(10) 0.4683(8) 0.048(4) Uani 1 1 d . U . . .
H723 H 0.2060 -0.2114 0.4316 0.058 Uiso 1 1 calc R . . . .
C724 C 0.1714(13) -0.2411(11) 0.4959(9) 0.050(4) Uani 1 1 d . U . . .
H724 H 0.1456 -0.2834 0.4765 0.061 Uiso 1 1 calc R . . . .
C725 C 0.1747(11) -0.2226(9) 0.5484(9) 0.043(4) Uani 1 1 d . U . . .
H725 H 0.1533 -0.2524 0.5658 0.052 Uiso 1 1 calc R . . . .
C726 C 0.2109(10) -0.1578(8) 0.5778(8) 0.036(3) Uani 1 1 d . U . . .
H726 H 0.2122 -0.1440 0.6146 0.043 Uiso 1 1 calc R . . . .
C731 C 0.3729(10) -0.0428(9) 0.5928(9) 0.040(5) Uani 1 1 d . . . . .
C732 C 0.4006(9) -0.0575(8) 0.6344(8) 0.032(4) Uani 1 1 d . . . . .
H732 H 0.3800 -0.0568 0.6647 0.039 Uiso 1 1 calc R . . . .
C733 C 0.4560(11) -0.0726(12) 0.6329(9) 0.046(5) Uani 1 1 d . . . . .
H733 H 0.4720 -0.0828 0.6618 0.055 Uiso 1 1 calc R . . . .
C734 C 0.4896(11) -0.0734(12) 0.5896(9) 0.048(5) Uani 1 1 d . . . . .
H734 H 0.5273 -0.0850 0.5883 0.057 Uiso 1 1 calc R . . . .
C735 C 0.4658(12) -0.0569(13) 0.5496(11) 0.057(6) Uani 1 1 d . . . . .
H735 H 0.4890 -0.0544 0.5209 0.068 Uiso 1 1 calc R . . . .
C736 C 0.4090(11) -0.0434(11) 0.5496(10) 0.050(5) Uani 1 1 d . . . . .
H736 H 0.3932 -0.0343 0.5200 0.060 Uiso 1 1 calc R . . . .
C811 C 0.0517(9) -0.3568(8) 0.5521(6) 0.027(3) Uani 1 1 d . U . . .
C812 C 0.0357(8) -0.3809(8) 0.4983(6) 0.026(3) Uani 1 1 d . U . . .
H812 H 0.0535 -0.4113 0.4798 0.031 Uiso 1 1 calc R . . . .
C813 C -0.0055(9) -0.3618(9) 0.4708(7) 0.032(3) Uani 1 1 d . U . . .
H813 H -0.0154 -0.3783 0.4339 0.039 Uiso 1 1 calc R . . . .
C814 C -0.0329(10) -0.3166(9) 0.4992(7) 0.035(3) Uani 1 1 d . U . . .
H814 H -0.0616 -0.3033 0.4811 0.042 Uiso 1 1 calc R . . . .
C815 C -0.0177(10) -0.2927(10) 0.5526(7) 0.035(3) Uani 1 1 d . U . . .
H815 H -0.0364 -0.2632 0.5714 0.041 Uiso 1 1 calc R . . . .
C816 C 0.0249(9) -0.3114(9) 0.5788(6) 0.029(3) Uani 1 1 d . U . . .
H816 H 0.0363 -0.2934 0.6155 0.035 Uiso 1 1 calc R . . . .
C821 C 0.1447(7) -0.4230(8) 0.5426(7) 0.025(3) Uani 1 1 d . . . . .
C822 C 0.1948(9) -0.3871(9) 0.5234(7) 0.031(4) Uani 1 1 d . . . . .
H822 H 0.2068 -0.3419 0.5339 0.037 Uiso 1 1 calc R . . . .
C823 C 0.2288(10) -0.4178(10) 0.4878(8) 0.040(5) Uani 1 1 d . . . . .
H823 H 0.2624 -0.3936 0.4731 0.048 Uiso 1 1 calc R . . . .
C824 C 0.2117(9) -0.4845(9) 0.4745(8) 0.037(4) Uani 1 1 d . . . . .
H824 H 0.2352 -0.5053 0.4517 0.045 Uiso 1 1 calc R . . . .
C825 C 0.1621(10) -0.5199(9) 0.4939(7) 0.034(4) Uani 1 1 d . . . . .
H825 H 0.1507 -0.5651 0.4844 0.041 Uiso 1 1 calc R . . . .
C826 C 0.1282(8) -0.4897(8) 0.5275(7) 0.030(4) Uani 1 1 d . . . . .
H826 H 0.0933 -0.5145 0.5406 0.036 Uiso 1 1 calc R . . . .
C831 C 0.0511(8) -0.4412(8) 0.6141(6) 0.026(3) Uani 1 1 d . . . . .
C832 C -0.0160(9) -0.4641(9) 0.6005(8) 0.034(4) Uani 1 1 d . . . . .
H832 H -0.0360 -0.4479 0.5777 0.041 Uiso 1 1 calc R . . . .
C833 C -0.0529(10) -0.5110(9) 0.6208(8) 0.036(4) Uani 1 1 d . . . . .
H833 H -0.0986 -0.5257 0.6129 0.044 Uiso 1 1 calc R . . . .
C834 C -0.0232(10) -0.5374(7) 0.6533(7) 0.033(4) Uani 1 1 d . . . . .
H834 H -0.0485 -0.5702 0.6663 0.039 Uiso 1 1 calc R . . . .
C835 C 0.0433(11) -0.5141(9) 0.6656(9) 0.041(5) Uani 1 1 d . . . . .
H835 H 0.0637 -0.5320 0.6866 0.049 Uiso 1 1 calc R . . . .
C836 C 0.0799(10) -0.4661(9) 0.6481(7) 0.033(4) Uani 1 1 d . . . . .
H836 H 0.1253 -0.4491 0.6587 0.039 Uiso 1 1 calc R . . . .
C911 C 0.3753(10) -0.4002(8) 0.6303(7) 0.0334(16) Uani 1 1 d . U . . .
C912 C 0.4236(10) -0.4139(8) 0.6514(7) 0.0338(16) Uani 1 1 d . U . . .
H912 H 0.4556 -0.3825 0.6784 0.041 Uiso 1 1 calc R . . . .
C913 C 0.4256(10) -0.4736(8) 0.6332(7) 0.0343(16) Uani 1 1 d . U . . .
H913 H 0.4615 -0.4832 0.6452 0.041 Uiso 1 1 calc R . . . .
C914 C 0.3758(10) -0.5212(9) 0.5969(7) 0.0342(16) Uani 1 1 d . U . . .
H914 H 0.3768 -0.5635 0.5856 0.041 Uiso 1 1 calc R . . . .
C915 C 0.3261(10) -0.5073(9) 0.5777(7) 0.0342(16) Uani 1 1 d . U . . .
H915 H 0.2923 -0.5397 0.5527 0.041 Uiso 1 1 calc R . . . .
C916 C 0.3240(10) -0.4456(8) 0.5944(7) 0.0338(16) Uani 1 1 d . U . . .
H916 H 0.2891 -0.4351 0.5818 0.041 Uiso 1 1 calc R . . . .
C921 C 0.4459(8) -0.2665(9) 0.6942(7) 0.028(3) Uani 1 1 d . . . . .
C922 C 0.4955(10) -0.2283(11) 0.6747(9) 0.050(6) Uani 1 1 d . . . . .
H922 H 0.4903 -0.2324 0.6385 0.060 Uiso 1 1 calc R . . . .
C923 C 0.5502(11) -0.1861(13) 0.7045(11) 0.063(7) Uani 1 1 d . . . . .
H923 H 0.5813 -0.1576 0.6910 0.075 Uiso 1 1 calc R . . . .
C924 C 0.5594(10) -0.1862(13) 0.7587(9) 0.053(6) Uani 1 1 d . . . . .
H924 H 0.5991 -0.1598 0.7803 0.064 Uiso 1 1 calc R . . . .
C925 C 0.5115(10) -0.2240(12) 0.7791(8) 0.049(6) Uani 1 1 d . . . . .
H925 H 0.5174 -0.2233 0.8146 0.059 Uiso 1 1 calc R . . . .
C926 C 0.4543(9) -0.2631(10) 0.7464(7) 0.035(4) Uani 1 1 d . . . . .
H926 H 0.4202 -0.2881 0.7602 0.042 Uiso 1 1 calc R . . . .
C931 C 0.3676(8) -0.2933(9) 0.5951(7) 0.034(4) Uani 1 1 d . . . . .
C932 C 0.3416(8) -0.2480(8) 0.5924(6) 0.024(3) Uani 1 1 d . . . . .
H932 H 0.3239 -0.2299 0.6216 0.029 Uiso 1 1 calc R . . . .
C933 C 0.3397(9) -0.2263(9) 0.5467(8) 0.034(4) Uani 1 1 d . . . . .
H933 H 0.3210 -0.1947 0.5456 0.041 Uiso 1 1 calc R . . . .
C934 C 0.3659(9) -0.2528(10) 0.5052(9) 0.039(4) Uani 1 1 d . . . . .
H934 H 0.3662 -0.2389 0.4748 0.047 Uiso 1 1 calc R . . . .
C935 C 0.3926(9) -0.3010(10) 0.5073(8) 0.039(4) Uani 1 1 d . . . . .
H935 H 0.4103 -0.3195 0.4782 0.046 Uiso 1 1 calc R . . . .
C936 C 0.3930(9) -0.3209(9) 0.5515(8) 0.037(4) Uani 1 1 d . . . . .
H936 H 0.4104 -0.3534 0.5525 0.044 Uiso 1 1 calc R . . . .
Sb1 Sb 0.23183(5) 0.29942(5) 0.47216(4) 0.0291(2) Uani 1 1 d . . . . .
F1 F 0.1506(9) 0.2778(9) 0.4280(7) 0.076(5) Uiso 1 1 d . . . . .
F2 F 0.2636(11) 0.2696(10) 0.4097(9) 0.091(6) Uiso 1 1 d . . . . .
F3 F 0.3093(12) 0.3328(12) 0.5149(9) 0.103(7) Uiso 1 1 d . . . . .
F4 F 0.1955(8) 0.3336(8) 0.5289(6) 0.065(4) Uiso 1 1 d . . . . .
F5 F 0.2129(11) 0.2194(11) 0.4856(9) 0.095(6) Uiso 1 1 d . . . . .
F6 F 0.2504(8) 0.3818(8) 0.4603(7) 0.066(4) Uiso 1 1 d . . . . .
Sb2 Sb 0.31569(6) 0.28678(7) 0.18889(5) 0.0434(3) Uani 1 1 d . . . . .
F7 F 0.2356(8) 0.2268(8) 0.1916(7) 0.066(4) Uiso 1 1 d . . . . .
F8 F 0.2834(6) 0.2853(6) 0.1208(5) 0.045(3) Uiso 1 1 d . . . . .
F9 F 0.3962(9) 0.3393(9) 0.1783(7) 0.072(4) Uiso 1 1 d . . . . .
F10 F 0.3469(10) 0.2811(10) 0.2559(8) 0.083(5) Uiso 1 1 d . . . . .
F11 F 0.3385(8) 0.2144(8) 0.1547(6) 0.063(4) Uiso 1 1 d . . . . .
F12 F 0.2898(13) 0.3603(13) 0.2157(10) 0.112(8) Uiso 1 1 d . . . . .
Sb3 Sb 0.78618(7) 0.27139(7) 0.81322(5) 0.0414(3) Uani 1 1 d . . . . .
F13 F 0.7547(8) 0.3370(7) 0.8041(6) 0.060(4) Uiso 1 1 d . . . . .
F14 F 0.7219(9) 0.2510(9) 0.8569(7) 0.074(4) Uiso 1 1 d . . . . .
F15 F 0.8234(11) 0.2126(11) 0.8278(9) 0.092(6) Uiso 1 1 d . . . . .
F16 F 0.8519(8) 0.3000(8) 0.7721(6) 0.063(4) Uiso 1 1 d . . . . .
F17 F 0.8389(10) 0.3348(10) 0.8728(8) 0.085(5) Uiso 1 1 d . . . . .
F18 F 0.7274(10) 0.2135(10) 0.7509(8) 0.086(5) Uiso 1 1 d . . . . .
Cl1 Cl -0.0257(3) -0.3811(3) 1.0973(3) 0.0628(15) Uiso 1 1 d . . . . .
Cl2 Cl 0.0171(3) -0.2901(3) 1.0380(2) 0.0528(12) Uiso 1 1 d . . . . .
C1 C 0.0352(14) -0.3082(14) 1.0957(12) 0.063(7) Uiso 1 1 d . . . . .
Cl3 Cl -0.1475(3) -0.4755(3) 0.9357(2) 0.0534(13) Uiso 1 1 d D . . . .
Cl4 Cl -0.2844(6) -0.5377(6) 0.9318(5) 0.105(3) Uiso 1 1 d D . . . .
C2 C -0.2159(8) -0.5371(19) 0.9051(16) 0.16(2) Uiso 1 1 d D . . . .
Cl5 Cl -0.3591(8) 0.0563(8) 0.5960(7) 0.078(4) Uiso 0.5 1 d . . P . .
Cl6 Cl -0.2348(11) 0.0650(11) 0.6322(9) 0.100(6) Uiso 0.5 1 d . . P . .
C3 C -0.318(3) 0.013(3) 0.610(3) 0.076(17) Uiso 0.5 1 d . . P . .
Cl7 Cl -0.0848(6) 0.1752(5) 0.6651(4) 0.100(3) Uiso 1 1 d D . . . .
Cl8 Cl -0.0499(4) 0.2891(4) 0.6329(3) 0.079(2) Uiso 1 1 d D . . . .
C4 C -0.080(3) 0.2528(11) 0.6781(13) 0.137(19) Uiso 1 1 d D . . . .
Cl9 Cl 0.2692(14) 0.1065(13) 0.2999(10) 0.121(8) Uiso 0.5 1 d D . P . .
Cl10 Cl 0.2660(8) 0.0578(7) 0.1818(6) 0.069(3) Uiso 0.5 1 d D . P . .
C5 C 0.259(3) 0.110(2) 0.2376(8) 0.076(17) Uiso 0.5 1 d D . P . .
Cl11 Cl 0.5729(8) -0.2026(8) 0.5553(6) 0.073(4) Uiso 0.5 1 d . . P . .
Cl12 Cl 0.5453(9) -0.3092(9) 0.4635(7) 0.080(4) Uiso 0.5 1 d . . P . .
C6 C 0.586(4) -0.281(4) 0.529(3) 0.083(19) Uiso 0.5 1 d . . P . .
Cl13 Cl 0.3935(7) 0.4519(7) 1.0660(6) 0.066(3) Uiso 0.5 1 d . . P . .
Cl14 Cl 0.5048(6) 0.4202(6) 1.0584(5) 0.051(2) Uiso 0.5 1 d . . P . .
C7 C 0.437(3) 0.405(2) 1.076(2) 0.052(11) Uiso 0.5 1 d . . P . .
O1 O 0.5497(18) -0.4405(17) 0.5675(14) 0.056(8) Uiso 0.5 1 d . . P . .
O2 O 0.2250(14) 0.4177(14) 0.1529(12) 0.041(6) Uiso 0.5 1 d . . P . .
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Au3 Au1 Au2 87.53(2) . . ?
Au3 Au1 Au4 92.13(2) . . ?
Au4 Au1 Au2 93.55(2) . . ?
Au6 Au1 Au2 55.03(2) . . ?
Au6 Au1 Au3 55.91(2) . . ?
Au6 Au1 Au4 55.66(2) . . ?
P1 Au1 Au2 129.13(11) . . ?
P1 Au1 Au3 121.43(11) . . ?
P1 Au1 Au4 122.68(11) . . ?
P1 Au1 Au6 175.72(11) . . ?
Au1 Au2 Au10 108.14(2) . . ?
Au6 Au2 Au1 53.87(2) . . ?
Au6 Au2 Au7 57.81(2) . . ?
Au6 Au2 Au9 57.80(2) . . ?
Au6 Au2 Au10 54.718(19) . . ?
Au7 Au2 Au1 80.28(2) . . ?
Au7 Au2 Au9 105.59(2) . . ?
Au7 Au2 Au10 56.39(2) . . ?
Au9 Au2 Au1 89.92(2) . . ?
Au9 Au2 Au10 58.078(19) . . ?
P2 Au2 Au1 125.70(11) . . ?
P2 Au2 Au6 174.02(11) . . ?
P2 Au2 Au7 128.07(11) . . ?
P2 Au2 Au9 116.93(11) . . ?
P2 Au2 Au10 126.15(11) . . ?
Au1 Au3 Au9 91.85(2) . . ?
Au5 Au3 Au1 88.40(2) . . ?
Au5 Au3 Au9 99.82(2) . . ?
Au6 Au3 Au1 56.01(2) . . ?
Au6 Au3 Au5 58.02(2) . . ?
Au6 Au3 Au9 57.64(2) . . ?
P3 Au3 Au1 127.85(10) . . ?
P3 Au3 Au5 125.55(9) . . ?
P3 Au3 Au6 172.95(10) . . ?
P3 Au3 Au9 115.36(10) . . ?
Au5 Au4 Au1 85.54(2) . . ?
Au6 Au4 Au1 54.85(2) . . ?
Au6 Au4 Au5 56.609(19) . . ?
Au6 Au4 Au7 57.90(2) . . ?
Au6 Au4 Au11 58.64(2) . . ?
Au7 Au4 Au1 81.40(2) . . ?
Au7 Au4 Au5 107.27(2) . . ?
Au7 Au4 Au11 62.76(2) . . ?
Au11 Au4 Au1 113.47(3) . . ?
Au11 Au4 Au5 58.71(2) . . ?
P4 Au4 Au1 123.89(10) . . ?
P4 Au4 Au5 127.52(11) . . ?
P4 Au4 Au6 175.86(11) . . ?
P4 Au4 Au7 118.48(11) . . ?
P4 Au4 Au11 122.35(10) . . ?
Au3 Au5 Au4 93.18(2) . . ?
Au6 Au5 Au3 55.74(2) . . ?
Au6 Au5 Au4 55.348(19) . . ?
Au6 Au5 Au8 59.22(2) . . ?
Au6 Au5 Au11 58.28(2) . . ?
Au8 Au5 Au3 72.42(2) . . ?
Au8 Au5 Au4 107.81(2) . . ?
Au8 Au5 Au11 63.38(2) . . ?
Au11 Au5 Au3 112.47(2) . . ?
Au11 Au5 Au4 58.83(2) . . ?
P5 Au5 Au3 130.48(10) . . ?
P5 Au5 Au4 123.40(10) . . ?
P5 Au5 Au6 173.04(10) . . ?
P5 Au5 Au8 117.71(10) . . ?
P5 Au5 Au11 114.86(10) . . ?
Au1 Au6 Au2 71.10(2) . . ?
Au1 Au6 Au4 69.49(2) . . ?
Au1 Au6 Au5 99.98(3) . . ?
Au1 Au6 Au7 92.59(3) . . ?
Au1 Au6 Au8 146.53(3) . . ?
Au1 Au6 Au9 105.08(3) . . ?
Au1 Au6 Au10 141.73(3) . . ?
Au1 Au6 Au11 134.44(3) . . ?
Au2 Au6 Au5 169.04(3) . . ?
Au2 Au6 Au7 64.98(2) . . ?
Au2 Au6 Au8 121.08(3) . . ?
Au2 Au6 Au9 65.55(2) . . ?
Au2 Au6 Au10 71.57(2) . . ?
Au2 Au6 Au11 126.40(3) . . ?
Au3 Au6 Au1 68.08(2) . . ?
Au3 Au6 Au2 103.82(3) . . ?
Au3 Au6 Au4 108.55(3) . . ?
Au3 Au6 Au5 66.24(2) . . ?
Au3 Au6 Au7 160.39(3) . . ?
Au3 Au6 Au8 78.52(2) . . ?
Au3 Au6 Au9 67.19(2) . . ?
Au3 Au6 Au10 129.95(3) . . ?
Au3 Au6 Au11 128.42(3) . . ?
Au4 Au6 Au2 113.02(3) . . ?
Au4 Au6 Au5 68.04(2) . . ?
Au4 Au6 Au7 65.20(2) . . ?
Au4 Au6 Au8 121.88(3) . . ?
Au4 Au6 Au9 174.35(3) . . ?
Au4 Au6 Au10 119.18(3) . . ?
Au4 Au6 Au11 64.97(2) . . ?
Au5 Au6 Au8 63.00(2) . . ?
Au5 Au6 Au9 112.24(3) . . ?
Au5 Au6 Au10 118.02(3) . . ?
Au5 Au6 Au11 64.36(2) . . ?
Au7 Au6 Au5 123.01(3) . . ?
Au7 Au6 Au8 120.88(3) . . ?
Au7 Au6 Au9 117.48(3) . . ?
Au7 Au6 Au10 63.92(2) . . ?
Au7 Au6 Au11 67.46(2) . . ?
Au9 Au6 Au8 61.72(2) . . ?
Au9 Au6 Au11 120.48(3) . . ?
Au10 Au6 Au8 64.57(2) . . ?
Au10 Au6 Au9 65.97(2) . . ?
Au10 Au6 Au11 66.36(2) . . ?
Au11 Au6 Au8 66.85(2) . . ?
Au2 Au7 Au4 101.00(3) . . ?
Au2 Au7 Au11 109.84(3) . . ?
Au4 Au7 Au11 58.80(2) . . ?
Au6 Au7 Au2 57.21(2) . . ?
Au6 Au7 Au4 56.90(2) . . ?
Au6 Au7 Au10 58.32(2) . . ?
Au6 Au7 Au11 56.86(2) . . ?
Au10 Au7 Au2 66.49(2) . . ?
Au10 Au7 Au4 107.50(3) . . ?
Au10 Au7 Au11 60.87(2) . . ?
P7 Au7 Au2 114.56(12) . . ?
P7 Au7 Au4 131.04(13) . . ?
P7 Au7 Au6 171.19(12) . . ?
P7 Au7 Au10 116.85(12) . . ?
P7 Au7 Au11 128.84(11) . . ?
Au5 Au8 Au10 107.30(2) . . ?
Au5 Au8 Au11 59.06(2) . . ?
Au6 Au8 Au5 57.77(2) . . ?
Au6 Au8 Au9 58.53(2) . . ?
Au6 Au8 Au10 57.12(2) . . ?
Au6 Au8 Au11 56.341(19) . . ?
Au9 Au8 Au5 105.51(2) . . ?
Au9 Au8 Au10 62.17(2) . . ?
Au9 Au8 Au11 108.58(2) . . ?
Au10 Au8 Au11 60.25(2) . . ?
Au13 Au8 Au5 120.82(3) . . ?
Au13 Au8 Au6 147.59(3) . . ?
Au13 Au8 Au9 133.59(3) . . ?
Au13 Au8 Au10 98.98(3) . . ?
Au13 Au8 Au11 93.83(2) . . ?
Au2 Au9 Au3 90.70(2) . . ?
Au2 Au9 Au10 64.92(2) . . ?
Au6 Au9 Au2 56.64(2) . . ?
Au6 Au9 Au3 55.17(2) . . ?
Au6 Au9 Au8 59.75(2) . . ?
Au6 Au9 Au10 56.99(2) . . ?
Au8 Au9 Au2 111.35(2) . . ?
Au8 Au9 Au3 72.47(2) . . ?
Au8 Au9 Au10 60.83(2) . . ?
Au10 Au9 Au3 110.05(2) . . ?
P6 Au9 Au2 131.99(10) . . ?
P6 Au9 Au3 125.44(10) . . ?
P6 Au9 Au6 169.07(9) . . ?
P6 Au9 Au8 109.42(9) . . ?
P6 Au9 Au10 117.84(10) . . ?
Au6 Au10 Au2 53.713(19) . . ?
Au6 Au10 Au7 57.77(2) . . ?
Au6 Au10 Au8 58.31(2) . . ?
Au6 Au10 Au9 57.03(2) . . ?
Au6 Au10 Au11 57.16(2) . . ?
Au7 Au10 Au2 57.12(2) . . ?
Au7 Au10 Au8 110.04(3) . . ?
Au7 Au10 Au9 105.29(2) . . ?
Au7 Au10 Au11 62.08(2) . . ?
Au8 Au10 Au2 102.18(2) . . ?
Au8 Au10 Au9 57.004(19) . . ?
Au8 Au10 Au11 61.58(2) . . ?
Au9 Au10 Au2 57.003(19) . . ?
Au9 Au10 Au11 105.64(2) . . ?
Au11 Au10 Au2 103.90(2) . . ?
Au14 Au10 Au2 159.70(3) . . ?
Au14 Au10 Au6 140.62(3) . . ?
Au14 Au10 Au7 114.01(3) . . ?
Au14 Au10 Au8 98.07(2) . . ?
Au14 Au10 Au9 139.24(3) . . ?
Au14 Au10 Au11 84.38(2) . . ?
Au4 Au11 Au7 58.44(2) . . ?
Au4 Au11 Au8 106.15(2) . . ?
Au4 Au11 Au10 104.13(2) . . ?
Au5 Au11 Au4 62.46(2) . . ?
Au5 Au11 Au7 106.83(2) . . ?
Au5 Au11 Au8 57.56(2) . . ?
Au5 Au11 Au10 104.42(2) . . ?
Au6 Au11 Au4 56.395(19) . . ?
Au6 Au11 Au5 57.363(19) . . ?
Au6 Au11 Au7 55.684(19) . . ?
Au6 Au11 Au8 56.812(19) . . ?
Au6 Au11 Au10 56.48(2) . . ?
Au7 Au11 Au8 103.40(2) . . ?
Au10 Au11 Au7 57.04(2) . . ?
Au10 Au11 Au8 58.172(19) . . ?
Au12 Au11 Au4 167.10(3) . . ?
Au12 Au11 Au5 116.29(3) . . ?
Au12 Au11 Au6 135.10(3) . . ?
Au12 Au11 Au7 130.59(3) . . ?
Au12 Au11 Au8 81.74(2) . . ?
Au12 Au11 Au10 88.69(2) . . ?
Au11 Au12 Au13 98.03(3) . . ?
Au11 Au12 Au14 86.96(2) . . ?
Au11 Au12 Au16 124.07(3) . . ?
Au11 Au12 Au17 138.09(3) . . ?
Au11 Au12 Au18 141.19(3) . . ?
Au13 Au12 Au14 82.79(2) . . ?
Au13 Au12 Au18 56.07(2) . . ?
Au14 Au12 Au18 114.09(3) . . ?
Au16 Au12 Au13 116.52(3) . . ?
Au16 Au12 Au14 58.06(2) . . ?
Au16 Au12 Au18 94.53(3) . . ?
Au17 Au12 Au13 58.11(2) . . ?
Au17 Au12 Au14 58.33(2) . . ?
Au17 Au12 Au16 58.94(2) . . ?
Au17 Au12 Au18 56.43(2) . . ?
Au8 Au13 Au12 86.05(2) . . ?
Au8 Au13 Au17 127.48(3) . . ?
Au8 Au13 Au18 140.96(3) . . ?
Au8 Au13 Au19 155.89(3) . . ?
Au12 Au13 Au19 111.26(3) . . ?
Au17 Au13 Au12 60.10(2) . . ?
Au17 Au13 Au18 59.96(2) . . ?
Au17 Au13 Au19 56.42(2) . . ?
Au18 Au13 Au12 64.60(2) . . ?
Au18 Au13 Au19 63.12(2) . . ?
Au10 Au14 Au12 92.19(3) . . ?
Au10 Au14 Au15 154.28(3) . . ?
Au10 Au14 Au16 144.57(3) . . ?
Au10 Au14 Au17 127.40(3) . . ?
Au15 Au14 Au12 108.42(2) . . ?
Au16 Au14 Au12 60.45(2) . . ?
Au16 Au14 Au15 61.15(2) . . ?
Au17 Au14 Au12 59.71(2) . . ?
Au17 Au14 Au15 57.32(2) . . ?
Au17 Au14 Au16 60.23(2) . . ?
Au14 Au15 Au16 57.82(2) . . ?
Au17 Au15 Au14 59.52(2) . . ?
Au17 Au15 Au16 59.76(2) . . ?
Au17 Au15 Au20 57.41(2) . . ?
Au20 Au15 Au14 114.31(3) . . ?
Au20 Au15 Au16 102.05(3) . . ?
P9 Au15 Au14 111.72(11) . . ?
P9 Au15 Au16 121.41(11) . . ?
P9 Au15 Au17 169.87(10) . . ?
P9 Au15 Au20 128.59(11) . . ?
Au12 Au16 Au15 109.14(3) . . ?
Au14 Au16 Au12 61.49(2) . . ?
Au14 Au16 Au15 61.04(2) . . ?
Au14 Au16 Au17 59.81(2) . . ?
Au17 Au16 Au12 59.93(2) . . ?
Au17 Au16 Au15 57.17(2) . . ?
P8 Au16 Au12 124.46(11) . . ?
P8 Au16 Au14 162.63(11) . . ?
P8 Au16 Au15 123.02(11) . . ?
P8 Au16 Au17 137.48(11) . . ?
Au13 Au17 Au12 61.79(2) . . ?
Au13 Au17 Au14 86.63(2) . . ?
Au13 Au17 Au16 122.33(3) . . ?
Au14 Au17 Au12 61.96(2) . . ?
Au14 Au17 Au16 59.96(2) . . ?
Au15 Au17 Au12 115.15(3) . . ?
Au15 Au17 Au13 142.10(3) . . ?
Au15 Au17 Au14 63.15(2) . . ?
Au15 Au17 Au16 63.07(2) . . ?
Au15 Au17 Au18 156.98(3) . . ?
Au16 Au17 Au12 61.13(2) . . ?
Au18 Au17 Au12 65.27(2) . . ?
Au18 Au17 Au13 60.08(2) . . ?
Au18 Au17 Au14 126.36(3) . . ?
Au18 Au17 Au16 101.77(3) . . ?
Au19 Au17 Au12 120.29(3) . . ?
Au19 Au17 Au13 64.87(2) . . ?
Au19 Au17 Au14 137.91(3) . . ?
Au19 Au17 Au15 123.15(3) . . ?
Au19 Au17 Au16 161.92(3) . . ?
Au19 Au17 Au18 66.27(2) . . ?
Au20 Au17 Au12 165.97(3) . . ?
Au20 Au17 Au13 128.14(3) . . ?
Au20 Au17 Au14 124.22(3) . . ?
Au20 Au17 Au15 64.30(2) . . ?
Au20 Au17 Au16 109.48(3) . . ?
Au20 Au17 Au18 109.34(3) . . ?
Au20 Au17 Au19 65.03(2) . . ?
Au13 Au18 Au12 59.33(2) . . ?
Au13 Au18 Au19 61.07(2) . . ?
Au17 Au18 Au12 58.30(2) . . ?
Au17 Au18 Au13 59.96(2) . . ?
Au17 Au18 Au19 55.75(2) . . ?
Au19 Au18 Au12 105.86(2) . . ?
P11 Au18 Au12 126.43(10) . . ?
P11 Au18 Au13 152.77(11) . . ?
P11 Au18 Au17 147.27(11) . . ?
P11 Au18 Au19 127.02(10) . . ?
Au13 Au19 Au18 55.80(2) . . ?
Au17 Au19 Au13 58.71(2) . . ?
Au17 Au19 Au18 57.97(2) . . ?
Au17 Au19 Au20 57.41(2) . . ?
Au20 Au19 Au13 114.80(3) . . ?
Au20 Au19 Au18 98.38(3) . . ?
P10 Au19 Au13 119.52(10) . . ?
P10 Au19 Au17 174.78(10) . . ?
P10 Au19 Au18 125.85(10) . . ?
P10 Au19 Au20 122.85(10) . . ?
Au15 Au20 Au19 111.08(3) . . ?
Au17 Au20 Au15 58.30(2) . . ?
Au17 Au20 Au19 57.56(2) . . ?
P12 Au20 Au15 120.68(10) . . ?
P12 Au20 Au17 167.72(11) . . ?
P12 Au20 Au19 127.41(10) . . ?
C111 P1 Au1 115.4(5) . . ?
C111 P1 C121 104.2(8) . . ?
C121 P1 Au1 111.2(5) . . ?
C131 P1 Au1 115.6(6) . . ?
C131 P1 C111 104.0(8) . . ?
C131 P1 C121 105.3(8) . . ?
C211 P2 Au2 118.9(8) . . ?
C211 P2 C221 103.6(10) . . ?
C211 P2 C231 102.9(10) . . ?
C221 P2 Au2 112.0(6) . . ?
C231 P2 Au2 110.6(6) . . ?
C231 P2 C221 108.0(8) . . ?
C311 P3 Au3 112.1(5) . . ?
C321 P3 Au3 114.3(6) . . ?
C321 P3 C311 104.3(7) . . ?
C321 P3 C331 106.3(7) . . ?
C331 P3 Au3 112.0(5) . . ?
C331 P3 C311 107.4(7) . . ?
C411 P4 Au4 114.4(6) . . ?
C421 P4 Au4 114.3(6) . . ?
C421 P4 C411 105.2(8) . . ?
C431 P4 Au4 111.5(7) . . ?
C431 P4 C411 102.9(8) . . ?
C431 P4 C421 107.6(9) . . ?
C511 P5 Au5 113.4(5) . . ?
C511 P5 C521 105.1(7) . . ?
C521 P5 Au5 112.4(5) . . ?
C531 P5 Au5 115.0(5) . . ?
C531 P5 C511 103.9(8) . . ?
C531 P5 C521 106.3(7) . . ?
C611 P6 Au9 107.3(5) . . ?
C611 P6 C621 104.1(7) . . ?
C621 P6 Au9 117.5(5) . . ?
C631 P6 Au9 115.2(5) . . ?
C631 P6 C611 104.6(7) . . ?
C631 P6 C621 106.8(7) . . ?
C711 P7 Au7 114.7(9) . . ?
C721 P7 Au7 113.0(7) . . ?
C721 P7 C711 105.4(10) . . ?
C721 P7 C731 102.1(9) . . ?
C731 P7 Au7 112.8(8) . . ?
C731 P7 C711 107.8(12) . . ?
C811 P8 Au16 114.8(6) . . ?
C811 P8 C821 106.7(8) . . ?
C811 P8 C831 105.4(8) . . ?
C821 P8 Au16 113.3(5) . . ?
C831 P8 Au16 109.9(5) . . ?
C831 P8 C821 106.1(8) . . ?
C911 P9 Au15 116.0(7) . . ?
C921 P9 Au15 108.5(6) . . ?
C921 P9 C911 106.6(9) . . ?
C931 P9 Au15 114.9(6) . . ?
C931 P9 C911 103.8(9) . . ?
C931 P9 C921 106.4(8) . . ?
C11A P10 Au19 112.8(5) . . ?
C11A P10 C21A 107.2(8) . . ?
C11A P10 C31A 106.5(7) . . ?
C21A P10 Au19 111.6(5) . . ?
C31A P10 Au19 114.7(5) . . ?
C31A P10 C21A 103.3(7) . . ?
C41A P11 Au18 113.9(5) . . ?
C41A P11 C51A 105.6(8) . . ?
C41A P11 C61A 104.0(9) . . ?
C51A P11 Au18 114.8(5) . . ?
C61A P11 Au18 112.4(6) . . ?
C61A P11 C51A 105.0(9) . . ?
C71A P12 Au20 115.7(5) . . ?
C81A P12 Au20 113.4(5) . . ?
C81A P12 C71A 104.3(7) . . ?
C91A P12 Au20 111.4(6) . . ?
C91A P12 C71A 105.5(8) . . ?
C91A P12 C81A 105.7(8) . . ?
C12A C11A P10 122.8(12) . . ?
C16A C11A P10 119.0(12) . . ?
C16A C11A C12A 118.2(15) . . ?
C13A C12A C11A 119.2(15) . . ?
C14A C13A C12A 121.0(16) . . ?
C13A C14A C15A 120.3(15) . . ?
C16A C15A C14A 118.9(15) . . ?
C15A C16A C11A 122.3(16) . . ?
C22A C21A P10 116.5(13) . . ?
C22A C21A C26A 122.1(16) . . ?
C26A C21A P10 121.3(12) . . ?
C21A C22A C23A 117.8(15) . . ?
C24A C23A C22A 120.5(16) . . ?
C25A C24A C23A 120.6(16) . . ?
C24A C25A C26A 120.5(16) . . ?
C21A C26A C25A 118.4(16) . . ?
C32A C31A P10 123.1(12) . . ?
C36A C31A P10 118.4(11) . . ?
C36A C31A C32A 118.1(15) . . ?
C33A C32A C31A 120.8(17) . . ?
C32A C33A C34A 120.2(17) . . ?
C33A C34A C35A 120.1(17) . . ?
C36A C35A C34A 119.5(16) . . ?
C35A C36A C31A 121.2(15) . . ?
C42A C41A P11 122.6(13) . . ?
C42A C41A C46A 116.9(16) . . ?
C46A C41A P11 120.1(13) . . ?
C41A C42A C43A 121.0(17) . . ?
C44A C43A C42A 121.7(18) . . ?
C45A C44A C43A 116.6(17) . . ?
C44A C45A C46A 122.7(17) . . ?
C45A C46A C41A 120.8(18) . . ?
C52A C51A P11 120.6(13) . . ?
C52A C51A C56A 116.1(17) . . ?
C56A C51A P11 123.2(14) . . ?
C53A C52A C51A 121.6(17) . . ?
C54A C53A C52A 119.8(18) . . ?
C53A C54A C55A 121.0(17) . . ?
C56A C55A C54A 117.0(18) . . ?
C55A C56A C51A 124.4(19) . . ?
C62A C61A P11 121.6(16) . . ?
C62A C61A C66A 119(2) . . ?
C66A C61A P11 119.6(17) . . ?
C61A C62A C63A 116(2) . . ?
C64A C63A C62A 124(2) . . ?
C63A C64A C65A 119(2) . . ?
C66A C65A C64A 120(2) . . ?
C65A C66A C61A 122(2) . . ?
C72A C71A P12 117.3(12) . . ?
C76A C71A P12 124.5(13) . . ?
C76A C71A C72A 118.2(15) . . ?
C73A C72A C71A 120.5(16) . . ?
C72A C73A C74A 121.6(18) . . ?
C73A C74A C75A 117.0(16) . . ?
C76A C75A C74A 119.9(17) . . ?
C75A C76A C71A 122.8(17) . . ?
C82A C81A P12 120.4(12) . . ?
C82A C81A C86A 118.6(15) . . ?
C86A C81A P12 121.0(12) . . ?
C81A C82A C83A 120.3(17) . . ?
C84A C83A C82A 121.3(19) . . ?
C85A C84A C83A 119.5(18) . . ?
C84A C85A C86A 121.5(18) . . ?
C85A C86A C81A 118.8(16) . . ?
C92A C91A P12 124.0(14) . . ?
C92A C91A C96A 116.8(15) . . ?
C96A C91A P12 119.0(12) . . ?
C91A C92A C93A 118.2(17) . . ?
C94A C93A C92A 124.0(18) . . ?
C93A C94A C95A 117.7(17) . . ?
C96A C95A C94A 123.5(18) . . ?
C95A C96A C91A 119.8(16) . . ?
C112 C111 P1 124.5(14) . . ?
C112 C111 C116 118.4(16) . . ?
C116 C111 P1 117.0(13) . . ?
C113 C112 C111 121.3(18) . . ?
C114 C113 C112 121.6(18) . . ?
C113 C114 C115 118.5(17) . . ?
C116 C115 C114 121.0(17) . . ?
C115 C116 C111 119.1(16) . . ?
C122 C121 P1 117.2(12) . . ?
C122 C121 C126 122.3(14) . . ?
C126 C121 P1 120.6(12) . . ?
C121 C122 C123 116.7(16) . . ?
C122 C123 C124 123.4(16) . . ?
C125 C124 C123 118.3(17) . . ?
C124 C125 C126 118.4(17) . . ?
C125 C126 C121 120.7(15) . . ?
C132 C131 P1 118.5(13) . . ?
C136 C131 P1 120.6(15) . . ?
C136 C131 C132 120.9(15) . . ?
C133 C132 C131 117.7(16) . . ?
C132 C133 C134 122.5(19) . . ?
C135 C134 C133 119.8(18) . . ?
C134 C135 C136 121.7(16) . . ?
C131 C136 C135 117.2(16) . . ?
C212 C211 P2 120(2) . . ?
C216 C211 P2 120.9(19) . . ?
C216 C211 C212 119(2) . . ?
C211 C212 C213 118(3) . . ?
C214 C213 C212 122(3) . . ?
C215 C214 C213 119(2) . . ?
C214 C215 C216 119(3) . . ?
C211 C216 C215 123(3) . . ?
C222 C221 P2 118.9(13) . . ?
C226 C221 P2 122.1(16) . . ?
C226 C221 C222 118.9(18) . . ?
C223 C222 C221 121.0(19) . . ?
C222 C223 C224 120(2) . . ?
C225 C224 C223 118.5(18) . . ?
C224 C225 C226 121.0(19) . . ?
C225 C226 C221 121(2) . . ?
C232 C231 P2 121.8(14) . . ?
C236 C231 P2 119.2(13) . . ?
C236 C231 C232 118.9(17) . . ?
C233 C232 C231 119.5(18) . . ?
C232 C233 C234 122.7(18) . . ?
C233 C234 C235 121.1(18) . . ?
C236 C235 C234 114.3(18) . . ?
C231 C236 C235 123.5(16) . . ?
C312 C311 P3 115.0(12) . . ?
C316 C311 P3 124.2(12) . . ?
C316 C311 C312 120.8(15) . . ?
C313 C312 C311 117.6(17) . . ?
C314 C313 C312 121.4(15) . . ?
C313 C314 C315 121.0(15) . . ?
C316 C315 C314 120.0(16) . . ?
C315 C316 C311 119.2(16) . . ?
C322 C321 P3 120.4(13) . . ?
C322 C321 C326 118.8(16) . . ?
C326 C321 P3 120.7(13) . . ?
C321 C322 C323 121.0(17) . . ?
C324 C323 C322 120.4(18) . . ?
C323 C324 C325 122.2(17) . . ?
C324 C325 C326 119.7(16) . . ?
C325 C326 C321 117.6(16) . . ?
C332 C331 P3 117.4(12) . . ?
C336 C331 P3 124.1(12) . . ?
C336 C331 C332 118.4(14) . . ?
C333 C332 C331 119.1(16) . . ?
C334 C333 C332 122.0(16) . . ?
C333 C334 C335 119.9(17) . . ?
C334 C335 C336 118.2(16) . . ?
C331 C336 C335 122.3(15) . . ?
C412 C411 P4 116.3(13) . . ?
C412 C411 C416 122.3(15) . . ?
C416 C411 P4 121.4(14) . . ?
C411 C412 C413 117.1(16) . . ?
C414 C413 C412 121.1(17) . . ?
C413 C414 C415 120.5(16) . . ?
C414 C415 C416 120.2(17) . . ?
C415 C416 C411 118.8(17) . . ?
C422 C421 P4 119.6(13) . . ?
C422 C421 C426 117.9(17) . . ?
C426 C421 P4 122.4(15) . . ?
C423 C422 C421 120.9(17) . . ?
C422 C423 C424 120(2) . . ?
C423 C424 C425 121(2) . . ?
C426 C425 C424 120(2) . . ?
C425 C426 C421 121(2) . . ?
C432 C431 P4 120.1(13) . . ?
C432 C431 C436 117.1(17) . . ?
C436 C431 P4 122.8(14) . . ?
C433 C432 C431 122.7(18) . . ?
C432 C433 C434 120.6(19) . . ?
C435 C434 C433 118(2) . . ?
C436 C435 C434 121.0(18) . . ?
C435 C436 C431 120.4(17) . . ?
C512 C511 P5 117.7(13) . . ?
C516 C511 P5 125.0(14) . . ?
C516 C511 C512 117.2(16) . . ?
C513 C512 C511 121.8(16) . . ?
C512 C513 C514 118.8(16) . . ?
C515 C514 C513 119.7(16) . . ?
C516 C515 C514 121.0(16) . . ?
C515 C516 C511 121.6(17) . . ?
C522 C521 P5 120.1(13) . . ?
C526 C521 P5 118.9(11) . . ?
C526 C521 C522 121.0(15) . . ?
C523 C522 C521 118.3(17) . . ?
C522 C523 C524 120.6(17) . . ?
C525 C524 C523 118.9(18) . . ?
C526 C525 C524 120.6(19) . . ?
C521 C526 C525 120.6(16) . . ?
C532 C531 P5 123.7(13) . . ?
C536 C531 P5 117.9(13) . . ?
C536 C531 C532 118.3(16) . . ?
C533 C532 C531 120.9(18) . . ?
C532 C533 C534 121.7(16) . . ?
C533 C534 C535 119.0(16) . . ?
C534 C535 C536 120.5(19) . . ?
C531 C536 C535 119.6(18) . . ?
C612 C611 P6 119.0(13) . . ?
C616 C611 P6 124.3(13) . . ?
C616 C611 C612 116.7(15) . . ?
C613 C612 C611 122.2(17) . . ?
C614 C613 C612 118.4(16) . . ?
C613 C614 C615 122.0(15) . . ?
C616 C615 C614 117.8(16) . . ?
C611 C616 C615 122.8(16) . . ?
C622 C621 P6 118.6(13) . . ?
C626 C621 P6 121.8(12) . . ?
C626 C621 C622 119.4(15) . . ?
C623 C622 C621 120.0(15) . . ?
C624 C623 C622 119.6(17) . . ?
C623 C624 C625 121.7(17) . . ?
C626 C625 C624 119.3(16) . . ?
C625 C626 C621 119.8(15) . . ?
C632 C631 P6 117.7(12) . . ?
C632 C631 C636 120.8(15) . . ?
C636 C631 P6 121.5(12) . . ?
C631 C632 C633 121.2(16) . . ?
C632 C633 C634 116.9(15) . . ?
C635 C634 C633 121.9(15) . . ?
C634 C635 C636 121.2(16) . . ?
C635 C636 C631 117.8(15) . . ?
C712 C711 P7 119.0(19) . . ?
C716 C711 P7 120.2(17) . . ?
C716 C711 C712 120(2) . . ?
C711 C712 C713 121(2) . . ?
C714 C713 C712 119(2) . . ?
C713 C714 C715 121(2) . . ?
C716 C715 C714 118(2) . . ?
C711 C716 C715 121(2) . . ?
C722 C721 P7 122.2(15) . . ?
C726 C721 P7 117.1(14) . . ?
C726 C721 C722 120.5(17) . . ?
C723 C722 C721 119.4(19) . . ?
C722 C723 C724 120(2) . . ?
C725 C724 C723 121(2) . . ?
C724 C725 C726 120(2) . . ?
C721 C726 C725 119.4(19) . . ?
C732 C731 P7 121.7(15) . . ?
C732 C731 C736 113.9(19) . . ?
C736 C731 P7 123.8(19) . . ?
C733 C732 C731 122.8(19) . . ?
C732 C733 C734 122(2) . . ?
C735 C734 C733 117(2) . . ?
C734 C735 C736 122(2) . . ?
C735 C736 C731 122(2) . . ?
C812 C811 P8 123.0(14) . . ?
C812 C811 C816 118.0(16) . . ?
C816 C811 P8 118.9(12) . . ?
C813 C812 C811 121.9(16) . . ?
C812 C813 C814 118.6(15) . . ?
C815 C814 C813 120.1(17) . . ?
C814 C815 C816 119.9(18) . . ?
C815 C816 C811 121.4(16) . . ?
C822 C821 P8 118.0(13) . . ?
C822 C821 C826 119.5(17) . . ?
C826 C821 P8 122.4(13) . . ?
C821 C822 C823 119.8(17) . . ?
C824 C823 C822 119.0(18) . . ?
C825 C824 C823 120.9(19) . . ?
C824 C825 C826 119.6(18) . . ?
C825 C826 C821 121.2(17) . . ?
C832 C831 P8 122.7(14) . . ?
C832 C831 C836 119.8(17) . . ?
C836 C831 P8 117.5(13) . . ?
C833 C832 C831 118.8(19) . . ?
C832 C833 C834 120.9(19) . . ?
C835 C834 C833 118.8(15) . . ?
C836 C835 C834 121.0(19) . . ?
C835 C836 C831 120.6(19) . . ?
C912 C911 P9 120.5(14) . . ?
C912 C911 C916 123.4(17) . . ?
C916 C911 P9 115.8(14) . . ?
C911 C912 C913 118.3(18) . . ?
C912 C913 C914 120.9(19) . . ?
C915 C914 C913 119.9(17) . . ?
C914 C915 C916 120.4(18) . . ?
C911 C916 C915 117.0(18) . . ?
C922 C921 P9 122.2(15) . . ?
C926 C921 P9 119.2(12) . . ?
C926 C921 C922 118.6(17) . . ?
C923 C922 C921 124(2) . . ?
C922 C923 C924 117(2) . . ?
C925 C924 C923 121.2(19) . . ?
C924 C925 C926 118.3(19) . . ?
C921 C926 C925 121.5(18) . . ?
C932 C931 P9 120.4(14) . . ?
C932 C931 C936 118.8(18) . . ?
C936 C931 P9 120.8(16) . . ?
C931 C932 C933 122.5(17) . . ?
C934 C933 C932 117.7(18) . . ?
C933 C934 C935 120.4(19) . . ?
C936 C935 C934 120.1(18) . . ?
C935 C936 C931 120.5(19) . . ?
F2 Sb1 F1 86.0(9) . . ?
F2 Sb1 F5 91.7(10) . . ?
F2 Sb1 F6 89.9(8) . . ?
F3 Sb1 F1 171.0(9) . . ?
F3 Sb1 F2 96.7(10) . . ?
F3 Sb1 F4 87.9(9) . . ?
F3 Sb1 F5 92.5(10) . . ?
F3 Sb1 F6 87.1(9) . . ?
F4 Sb1 F1 88.6(8) . . ?
F4 Sb1 F2 172.8(8) . . ?
F4 Sb1 F5 93.6(9) . . ?
F4 Sb1 F6 84.9(7) . . ?
F5 Sb1 F1 96.0(9) . . ?
F5 Sb1 F6 178.4(9) . . ?
F6 Sb1 F1 84.3(7) . . ?
F7 Sb2 F8 89.7(6) . . ?
F7 Sb2 F9 172.8(8) . . ?
F7 Sb2 F10 87.9(8) . . ?
F7 Sb2 F11 85.8(7) . . ?
F7 Sb2 F12 94.7(10) . . ?
F8 Sb2 F10 175.5(7) . . ?
F8 Sb2 F12 86.9(9) . . ?
F9 Sb2 F8 86.3(7) . . ?
F9 Sb2 F10 95.7(8) . . ?
F9 Sb2 F11 88.0(7) . . ?
F9 Sb2 F12 91.0(10) . . ?
F11 Sb2 F8 86.7(6) . . ?
F11 Sb2 F10 89.4(8) . . ?
F11 Sb2 F12 173.5(9) . . ?
F12 Sb2 F10 97.1(10) . . ?
F13 Sb3 F16 87.1(7) . . ?
F13 Sb3 F18 88.1(8) . . ?
F14 Sb3 F13 88.7(7) . . ?
F14 Sb3 F16 174.8(7) . . ?
F14 Sb3 F18 91.7(9) . . ?
F15 Sb3 F13 174.4(8) . . ?
F15 Sb3 F14 91.6(9) . . ?
F15 Sb3 F16 92.2(8) . . ?
F15 Sb3 F18 97.5(9) . . ?
F16 Sb3 F18 91.4(8) . . ?
F17 Sb3 F13 85.1(8) . . ?
F17 Sb3 F14 87.6(8) . . ?
F17 Sb3 F15 89.3(9) . . ?
F17 Sb3 F16 88.8(8) . . ?
F17 Sb3 F18 173.3(9) . . ?
Cl2 C1 Cl1 109.4(16) . . ?
Cl3 C2 Cl4 116.5(12) . . ?
Cl5 C3 Cl6 108(4) . . ?
Cl8 C4 Cl7 115.1(12) . . ?
Cl10 C5 Cl9 128(2) . . ?
Cl12 C6 Cl11 103(4) . . ?
Cl14 C7 Cl13 115(3) . . ?
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 3.0876(9) . ?
Au1 Au3 2.9493(9) . ?
Au1 Au4 3.0197(8) . ?
Au1 Au6 2.6359(8) . ?
Au1 P1 2.289(4) . ?
Au2 Au6 2.6743(8) . ?
Au2 Au7 2.8826(9) . ?
Au2 Au9 2.9146(8) . ?
Au2 Au10 3.1475(8) . ?
Au2 P2 2.306(4) . ?
Au3 Au5 2.9155(8) . ?
Au3 Au6 2.6329(8) . ?
Au3 Au9 2.9567(8) . ?
Au3 P3 2.284(4) . ?
Au4 Au5 3.0014(8) . ?
Au4 Au6 2.6621(8) . ?
Au4 Au7 2.8849(9) . ?
Au4 Au11 2.8961(8) . ?
Au4 P4 2.287(4) . ?
Au5 Au6 2.7019(8) . ?
Au5 Au8 2.8460(8) . ?
Au5 Au11 2.8926(9) . ?
Au5 P5 2.289(4) . ?
Au6 Au7 2.6921(8) . ?
Au6 Au8 2.7441(8) . ?
Au6 Au9 2.7094(8) . ?
Au6 Au10 2.7083(8) . ?
Au6 Au11 2.7292(8) . ?
Au7 Au10 2.8585(9) . ?
Au7 Au11 3.0104(8) . ?
Au7 P7 2.283(4) . ?
Au8 Au9 2.7975(8) . ?
Au8 Au10 2.9125(8) . ?
Au8 Au11 3.0148(8) . ?
Au8 Au13 2.6641(8) . ?
Au9 Au10 2.9496(8) . ?
Au9 P6 2.291(4) . ?
Au10 Au11 2.9760(8) . ?
Au10 Au14 2.6698(8) . ?
Au11 Au12 2.6881(8) . ?
Au12 Au13 2.8145(9) . ?
Au12 Au14 2.8300(9) . ?
Au12 Au16 2.8017(9) . ?
Au12 Au17 2.7688(9) . ?
Au12 Au18 2.9559(8) . ?
Au13 Au17 2.7118(8) . ?
Au13 Au18 2.7152(8) . ?
Au13 Au19 2.8731(8) . ?
Au14 Au15 2.8253(9) . ?
Au14 Au16 2.7330(8) . ?
Au14 Au17 2.7290(8) . ?
Au15 Au16 2.8283(9) . ?
Au15 Au17 2.6654(9) . ?
Au15 Au20 2.8229(9) . ?
Au15 P9 2.276(4) . ?
Au16 Au17 2.7406(9) . ?
Au16 P8 2.287(4) . ?
Au17 Au18 2.7117(8) . ?
Au17 Au19 2.6438(8) . ?
Au17 Au20 2.6395(8) . ?
Au18 Au19 2.9281(9) . ?
Au18 P11 2.298(4) . ?
Au19 Au20 2.8398(9) . ?
Au19 P10 2.300(4) . ?
Au20 P12 2.292(4) . ?
P1 C111 1.817(17) . ?
P1 C121 1.824(15) . ?
P1 C131 1.812(16) . ?
P2 C211 1.82(2) . ?
P2 C221 1.847(18) . ?
P2 C231 1.819(17) . ?
P3 C311 1.832(15) . ?
P3 C321 1.783(17) . ?
P3 C331 1.807(15) . ?
P4 C411 1.831(17) . ?
P4 C421 1.787(17) . ?
P4 C431 1.786(19) . ?
P5 C511 1.808(18) . ?
P5 C521 1.822(16) . ?
P5 C531 1.790(16) . ?
P6 C611 1.818(17) . ?
P6 C621 1.819(16) . ?
P6 C631 1.817(16) . ?
P7 C711 1.81(2) . ?
P7 C721 1.796(17) . ?
P7 C731 1.80(2) . ?
P8 C811 1.800(17) . ?
P8 C821 1.815(17) . ?
P8 C831 1.812(17) . ?
P9 C911 1.889(17) . ?
P9 C921 1.815(17) . ?
P9 C931 1.81(2) . ?
P10 C11A 1.812(17) . ?
P10 C21A 1.824(17) . ?
P10 C31A 1.817(15) . ?
P11 C41A 1.787(15) . ?
P11 C51A 1.813(18) . ?
P11 C61A 1.81(2) . ?
P12 C71A 1.817(16) . ?
P12 C81A 1.794(15) . ?
P12 C91A 1.769(18) . ?
C11A C12A 1.41(2) . ?
C11A C16A 1.40(2) . ?
C12A C13A 1.40(2) . ?
C13A C14A 1.36(3) . ?
C14A C15A 1.41(2) . ?
C15A C16A 1.37(2) . ?
C21A C22A 1.38(2) . ?
C21A C26A 1.39(2) . ?
C22A C23A 1.43(2) . ?
C23A C24A 1.38(2) . ?
C24A C25A 1.37(2) . ?
C25A C26A 1.41(2) . ?
C31A C32A 1.41(2) . ?
C31A C36A 1.40(2) . ?
C32A C33A 1.36(3) . ?
C33A C34A 1.38(3) . ?
C34A C35A 1.41(3) . ?
C35A C36A 1.36(3) . ?
C41A C42A 1.37(2) . ?
C41A C46A 1.42(2) . ?
C42A C43A 1.41(3) . ?
C43A C44A 1.40(3) . ?
C44A C45A 1.37(3) . ?
C45A C46A 1.39(3) . ?
C51A C52A 1.40(3) . ?
C51A C56A 1.40(2) . ?
C52A C53A 1.38(3) . ?
C53A C54A 1.33(3) . ?
C54A C55A 1.45(3) . ?
C55A C56A 1.32(3) . ?
C61A C62A 1.36(3) . ?
C61A C66A 1.42(3) . ?
C62A C63A 1.43(3) . ?
C63A C64A 1.31(3) . ?
C64A C65A 1.36(3) . ?
C65A C66A 1.34(3) . ?
C71A C72A 1.41(2) . ?
C71A C76A 1.37(2) . ?
C72A C73A 1.36(2) . ?
C73A C74A 1.40(3) . ?
C74A C75A 1.43(3) . ?
C75A C76A 1.35(3) . ?
C81A C82A 1.39(2) . ?
C81A C86A 1.43(2) . ?
C82A C83A 1.40(3) . ?
C83A C84A 1.38(3) . ?
C84A C85A 1.37(3) . ?
C85A C86A 1.41(2) . ?
C91A C92A 1.41(2) . ?
C91A C96A 1.47(2) . ?
C92A C93A 1.45(3) . ?
C93A C94A 1.30(3) . ?
C94A C95A 1.42(3) . ?
C95A C96A 1.34(2) . ?
C111 C112 1.38(2) . ?
C111 C116 1.43(2) . ?
C112 C113 1.37(3) . ?
C113 C114 1.37(3) . ?
C114 C115 1.41(2) . ?
C115 C116 1.38(3) . ?
C121 C122 1.35(2) . ?
C121 C126 1.43(2) . ?
C122 C123 1.40(2) . ?
C123 C124 1.43(3) . ?
C124 C125 1.39(2) . ?
C125 C126 1.40(3) . ?
C131 C132 1.44(3) . ?
C131 C136 1.41(2) . ?
C132 C133 1.35(3) . ?
C133 C134 1.40(3) . ?
C134 C135 1.35(3) . ?
C135 C136 1.42(2) . ?
C211 C212 1.39(4) . ?
C211 C216 1.38(4) . ?
C212 C213 1.41(3) . ?
C213 C214 1.40(4) . ?
C214 C215 1.36(4) . ?
C215 C216 1.41(3) . ?
C221 C222 1.40(3) . ?
C221 C226 1.39(2) . ?
C222 C223 1.34(3) . ?
C223 C224 1.45(3) . ?
C224 C225 1.37(4) . ?
C225 C226 1.37(3) . ?
C231 C232 1.40(2) . ?
C231 C236 1.38(2) . ?
C232 C233 1.36(3) . ?
C233 C234 1.36(3) . ?
C234 C235 1.43(3) . ?
C235 C236 1.43(2) . ?
C311 C312 1.43(2) . ?
C311 C316 1.39(2) . ?
C312 C313 1.40(3) . ?
C313 C314 1.35(2) . ?
C314 C315 1.40(3) . ?
C315 C316 1.38(2) . ?
C321 C322 1.38(2) . ?
C321 C326 1.46(2) . ?
C322 C323 1.42(2) . ?
C323 C324 1.32(3) . ?
C324 C325 1.40(3) . ?
C325 C326 1.43(2) . ?
C331 C332 1.42(2) . ?
C331 C336 1.36(2) . ?
C332 C333 1.39(2) . ?
C333 C334 1.36(3) . ?
C334 C335 1.40(3) . ?
C335 C336 1.42(2) . ?
C411 C412 1.36(3) . ?
C411 C416 1.42(2) . ?
C412 C413 1.44(2) . ?
C413 C414 1.37(2) . ?
C414 C415 1.38(3) . ?
C415 C416 1.39(2) . ?
C421 C422 1.41(2) . ?
C421 C426 1.42(3) . ?
C422 C423 1.37(3) . ?
C423 C424 1.37(4) . ?
C424 C425 1.39(4) . ?
C425 C426 1.36(3) . ?
C431 C432 1.39(2) . ?
C431 C436 1.43(2) . ?
C432 C433 1.35(3) . ?
C433 C434 1.41(3) . ?
C434 C435 1.40(3) . ?
C435 C436 1.37(3) . ?
C511 C512 1.44(2) . ?
C511 C516 1.40(2) . ?
C512 C513 1.39(2) . ?
C513 C514 1.41(2) . ?
C514 C515 1.40(2) . ?
C515 C516 1.37(2) . ?
C521 C522 1.403(19) . ?
C521 C526 1.37(2) . ?
C522 C523 1.39(3) . ?
C523 C524 1.41(3) . ?
C524 C525 1.39(3) . ?
C525 C526 1.37(2) . ?
C531 C532 1.42(2) . ?
C531 C536 1.40(2) . ?
C532 C533 1.37(3) . ?
C533 C534 1.38(3) . ?
C534 C535 1.39(3) . ?
C535 C536 1.43(3) . ?
C611 C612 1.41(2) . ?
C611 C616 1.38(2) . ?
C612 C613 1.39(2) . ?
C613 C614 1.36(2) . ?
C614 C615 1.40(2) . ?
C615 C616 1.38(2) . ?
C621 C622 1.41(2) . ?
C621 C626 1.40(2) . ?
C622 C623 1.39(2) . ?
C623 C624 1.34(3) . ?
C624 C625 1.41(3) . ?
C625 C626 1.38(2) . ?
C631 C632 1.39(2) . ?
C631 C636 1.42(2) . ?
C632 C633 1.40(2) . ?
C633 C634 1.42(3) . ?
C634 C635 1.37(3) . ?
C635 C636 1.39(2) . ?
C711 C712 1.39(3) . ?
C711 C716 1.37(4) . ?
C712 C713 1.40(3) . ?
C713 C714 1.38(4) . ?
C714 C715 1.42(3) . ?
C715 C716 1.39(3) . ?
C721 C722 1.44(3) . ?
C721 C726 1.41(3) . ?
C722 C723 1.37(3) . ?
C723 C724 1.47(3) . ?
C724 C725 1.35(3) . ?
C725 C726 1.44(3) . ?
C731 C732 1.41(3) . ?
C731 C736 1.44(3) . ?
C732 C733 1.37(3) . ?
C733 C734 1.41(3) . ?
C734 C735 1.36(4) . ?
C735 C736 1.38(3) . ?
C811 C812 1.39(2) . ?
C811 C816 1.41(2) . ?
C812 C813 1.39(3) . ?
C813 C814 1.43(3) . ?
C814 C815 1.37(3) . ?
C815 C816 1.38(2) . ?
C821 C822 1.37(2) . ?
C821 C826 1.40(2) . ?
C822 C823 1.42(3) . ?
C823 C824 1.41(3) . ?
C824 C825 1.36(3) . ?
C825 C826 1.39(3) . ?
C831 C832 1.40(3) . ?
C831 C836 1.42(3) . ?
C832 C833 1.39(3) . ?
C833 C834 1.43(3) . ?
C834 C835 1.38(3) . ?
C835 C836 1.36(3) . ?
C911 C912 1.34(3) . ?
C911 C916 1.39(3) . ?
C912 C913 1.35(2) . ?
C913 C914 1.39(3) . ?
C914 C915 1.35(3) . ?
C915 C916 1.39(2) . ?
C921 C922 1.39(2) . ?
C921 C926 1.38(2) . ?
C922 C923 1.34(3) . ?
C923 C924 1.46(4) . ?
C924 C925 1.38(3) . ?
C925 C926 1.39(3) . ?
C931 C932 1.35(3) . ?
C931 C936 1.41(3) . ?
C932 C933 1.44(2) . ?
C933 C934 1.37(3) . ?
C934 C935 1.42(3) . ?
C935 C936 1.38(3) . ?
Sb1 F1 1.944(19) . ?
Sb1 F2 1.89(2) . ?
Sb1 F3 1.83(2) . ?
Sb1 F4 1.863(17) . ?
Sb1 F5 1.90(2) . ?
Sb1 F6 1.930(17) . ?
Sb2 F7 1.890(17) . ?
Sb2 F8 1.916(13) . ?
Sb2 F9 1.893(19) . ?
Sb2 F10 1.95(2) . ?
Sb2 F11 1.911(16) . ?
Sb2 F12 1.93(3) . ?
Sb3 F13 1.916(16) . ?
Sb3 F14 1.909(19) . ?
Sb3 F15 1.90(2) . ?
Sb3 F16 1.925(17) . ?
Sb3 F17 1.89(2) . ?
Sb3 F18 1.95(2) . ?
Cl1 C1 1.81(3) . ?
Cl2 C1 1.77(3) . ?
Cl3 C2 1.700(10) . ?
Cl4 C2 1.702(10) . ?
Cl5 C3 1.63(7) . ?
Cl6 C3 1.82(7) . ?
Cl7 C4 1.703(10) . ?
Cl8 C4 1.700(10) . ?
Cl9 C5 1.701(10) . ?
Cl10 C5 1.700(10) . ?
Cl11 C6 1.88(8) . ?
Cl12 C6 1.78(8) . ?
Cl13 C7 1.72(5) . ?
Cl14 C7 1.56(5) . ?
