#------------------------------------------------------------------------------
#$Date: 2024-08-05 20:55:42 +0300 (Mon, 05 Aug 2024) $
#$Revision: 293736 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/19/1571984.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_1571984
loop_
_publ_author_name
'Liu, Qian'
'Zhai, Xiao-Yi'
'Jian, Rui-Jun'
'Zhao, Liang'
_publ_section_title
;
 Divergent catalytic behaviors of assembled organogold(i) clusters derived
 from enyne cyclization.
;
_journal_issue                   29
_journal_name_full               'Chemical science'
_journal_page_first              11311
_journal_page_last               11320
_journal_paper_doi               10.1039/d4sc01618a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C276 H216 Au28 P8'
_chemical_formula_sum            'C276 H216 Au28 P8'
_chemical_formula_weight         9295.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-05-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-02-06 deposited with the CCDC.	2024-06-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.081(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   47.3293(7)
_cell_length_b                   20.0353(5)
_cell_length_c                   41.2327(6)
_cell_measurement_reflns_used    34889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.5030
_cell_measurement_theta_min      3.6760
_cell_volume                     35696.4(13)
_computing_cell_refinement       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4273
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  32.00   0.60    6.06    --  -40.76  38.00   0.00  165
  2  ω   -110.00 -14.00   0.60    6.06    --  -40.76 -38.00-180.00  160
  3  ω   -114.00 -60.00   0.60    6.06    --  -40.76-151.00   2.00   90
  4  ω    -31.00  13.40   0.60    6.06    --   40.76 -57.00  60.00   74
  5  ω     32.00  89.00   0.60    6.06    --   40.76-125.00  60.00   95
  6  ω     36.00  97.20   0.60    6.06    --   40.76-125.00-150.00  102
  7  ω    105.00 171.60   0.60   24.25    --  111.38  77.00 120.00  111
  8  ω     52.00  79.00   0.60   24.25    --  111.38 -95.00 -90.00   45
  9  ω    103.00 175.60   0.60   24.25    --  111.38  77.00 -30.00  121
 10  ω     46.00 137.20   0.60   24.25    --  111.38 -45.00  30.00  152
 11  ω     44.00 111.80   0.60   24.25    --  111.38-125.00   0.00  113
 12  ω     56.00  83.00   0.60   24.25    --  111.38 -95.00   0.00   45
 13  ω     38.00 138.20   0.60   24.25    --  111.38 -45.00 150.00  167
 14  ω     78.00 105.00   0.60   24.25    --  111.38 -95.00-180.00   45
 15  ω     28.00 105.40   0.60   24.25    --  111.38 -95.00  30.00  129
 16  ω     86.00 174.20   0.60   24.25    --  111.38  45.00  90.00  147
 17  ω    104.00 176.00   0.60   24.25    --  111.38  77.00-180.00  120
 18  ω     55.00 105.40   0.60   24.25    --  111.38 -95.00  90.00   84
 19  ω     86.00 122.00   0.60   24.25    --  111.38  30.00 -90.00   60
 20  ω     81.00 105.60   0.60   24.25    --  111.38 -95.00-150.00   41
 21  ω     62.00  96.80   0.60   24.25    --  111.38 -95.00 150.00   58
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0322052000
_diffrn_orient_matrix_UB_12      -0.0330864000
_diffrn_orient_matrix_UB_13      0.0143856000
_diffrn_orient_matrix_UB_21      0.0149668000
_diffrn_orient_matrix_UB_22      0.0684555000
_diffrn_orient_matrix_UB_23      0.0005495000
_diffrn_orient_matrix_UB_31      0.0032797000
_diffrn_orient_matrix_UB_32      0.0112541000
_diffrn_orient_matrix_UB_33      0.0383351000
_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  0.0526
_diffrn_reflns_av_unetI/netI     0.0449
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       58
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            121541
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         75.559
_diffrn_reflns_theta_min         3.567
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    21.618
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_description       block
_exptl_crystal_F_000             16816
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.480
_refine_diff_density_min         -2.963
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1339
_refine_ls_number_reflns         36215
_refine_ls_number_restraints     337
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0591
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0925P)²+264.0749P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1678
_refine_ls_wR_factor_ref         0.1809
_reflns_Friedel_coverage         0.000
_reflns_number_gt                25596
_reflns_number_total             36215
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc01618a2.cif
_cod_data_source_block           au28
_cod_depositor_comments
'Adding full bibliography for 1571982--1571985.cif.'
_cod_database_code               1571984
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C H P Au'
_chemical_oxdiff_usercomment     'Colorless Plate Crystals'
_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.
;
_reflns_odcompleteness_completeness 90.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     68.13
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C26-C11
 1.4 with sigma of 0.02
 C36-C029
 1.4 with sigma of 0.02
 C159-C36
 1.4 with sigma of 0.02
 C11-C55
 1.4 with sigma of 0.02
 C029-C26
 1.4 with sigma of 0.02
 C55-C159
 1.4 with sigma of 0.02
3. Rigid bond restraints
 C30, C037
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
Uanis(C26) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(C159)
\\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C029) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C3) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C53)
\\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C45) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C33) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C039)
\\sim Ueq, Uanis(C02W) \\sim Ueq, Uanis(C02K) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C37) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C55, C159, C36, C029, C26, C11
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C48, C25, C12, C19, C03A, C02H
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C21, C20, C030, C02Y, C9, C16
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C029, C26, C11, C55, C159, C36
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C02Q, C7, C02T, C5, C02A, C22
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C2, C53, C44, C45, C3, C32
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C23, C14, C158, C37, C02J, C038
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Aromatic/amide H refined with riding coordinates:
 C00M(H00M), C00U(H00U), C00W(H00W), C01B(H01d), C01D(H01e), C01E(H01f),
 C01F(H01g), C01G(H01h), C01L(H01L), C01P(H01P), C01U(H01U), C01Y(H01Y),
 C020(H020), C021(H021), C022(H022), C023(H023), C024(H024), C025(H025),
 C02B(H02B), C02C(H02C), C29(H29), C4(H4), C27(H27), C02U(H02U), C02E(H02E),
 C02F(H02F), C02G(H02G), C02K(H02K), C02M(H02M), C02N(H02N), C02O(H02O),
 C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S), C02T(H02T), C02W(H02W), C9(H9),
  C16(H16), C21(H21), C20(H20), C030(H030), C033(H033), C034(H034), C035(H035),
 C036(H036), C18(H18), C6(H6), C33(H33), C10(H10), C30(H30), C039(H039),
 C03D(H03D), C03E(H03E), C03F(H03F), C13(H13), C15(H15), C17(H17), C24(H24),
 C31(H31), C143(H143), C75(H75), C8(H8), C131(H131), C5(H5), C7(H7), C22(H22),
 C2(H2), C32(H32), C3(H3), C45(H45), C44(H44), C25(H25), C12(H12), C19(H19),
 C03A(H03g), C48(H48), C35(H35), C34(H34), C28(H28), C158(H158), C37(H37),
 C038(H038), C23(H23), C14(H14), C159(H159), C36(H36), C029(H029), C11(H11),
 C55(H55)
6.b Fitted hexagon refined as free rotating group:
 C02C(C29,C4,C27,C02U,C01M), C02Y(C9,C16,C21,C20,C030), C037(C18,C6,C33,C10,
 C30), C53(C2,C32,C3,C45,C44), C25(C12,C19,C03A,C02H,C48), C158(C37,C02J,C038,
 C23,C14)
6.c Idealised Me refined as rotating group:
 C00T(H00a,H00b,H00c), C011(H01a,H01b,H01c), C02I(H02a,H02d,H02h), C02L(H02i,
 H02j,H02l), C032(H03a,H03b,H03c), C1(H1a,H1b,H1c)
;
_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
;
_oxdiff_exptl_absorpt_empirical_full_max 1.996
_oxdiff_exptl_absorpt_empirical_full_min 0.660
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Au01 Au 0.52974(2) 0.69759(3) 0.74490(2) 0.05322(12) Uani 1 1 d . . . . .
Au02 Au 0.57931(2) 0.70910(3) 0.80695(2) 0.05823(13) Uani 1 1 d . . . . .
Au03 Au 0.51610(2) 0.68553(3) 0.67544(2) 0.05784(13) Uani 1 1 d . . . . .
Au04 Au 0.56000(2) 0.79853(3) 0.70914(2) 0.06088(14) Uani 1 1 d . . . . .
Au05 Au 0.61074(2) 0.80125(3) 0.77221(2) 0.06236(14) Uani 1 1 d . . . . .
Au06 Au 0.58541(2) 0.59647(3) 0.76268(2) 0.06137(14) Uani 1 1 d . . . . .
Au07 Au 0.57219(2) 0.59160(3) 0.69223(2) 0.06338(14) Uani 1 1 d . . . . .
Au08 Au 0.64238(2) 0.65642(3) 0.78901(2) 0.06721(16) Uani 1 1 d . . . . .
Au09 Au 0.58302(2) 0.73704(4) 0.66577(2) 0.06883(16) Uani 1 1 d . . . . .
Au0A Au 0.63782(2) 0.69692(4) 0.72193(2) 0.07304(18) Uani 1 1 d . . . . .
Au0B Au 0.52230(2) 0.66895(4) 0.61394(2) 0.07716(18) Uani 1 1 d . . . . .
Au0C Au 0.63759(2) 0.72367(4) 0.85679(2) 0.07684(18) Uani 1 1 d . . . . .
Au0D Au 0.62131(2) 0.83727(4) 0.71399(2) 0.08046(19) Uani 1 1 d . . . . .
Au0E Au 0.63218(2) 0.55702(4) 0.73453(2) 0.0843(2) Uani 1 1 d . . . . .
P00F P 0.51609(8) 0.5971(2) 0.56949(8) 0.0770(11) Uani 1 1 d . . . . .
P00G P 0.67018(8) 0.7970(3) 0.89580(9) 0.0882(13) Uani 1 1 d . . . . .
P00H P 0.66961(9) 0.4791(3) 0.74552(12) 0.0991(16) Uani 1 1 d . . . . .
P00I P 0.64320(10) 0.9144(3) 0.69151(13) 0.113(2) Uani 1 1 d . . . . .
C00K C 0.5484(2) 0.7866(7) 0.7766(3) 0.059(3) Uani 1 1 d . . . . .
C00L C 0.5619(2) 0.8302(6) 0.7599(2) 0.051(2) Uani 1 1 d . . . . .
C00M C 0.5318(2) 0.8154(7) 0.7953(3) 0.057(3) Uani 1 1 d . . . . .
H00M H 0.522885 0.786902 0.806281 0.068 Uiso 1 1 calc R U . . .
C00N C 0.6106(2) 0.6328(6) 0.8376(3) 0.055(3) Uani 1 1 d . . . . .
C00O C 0.5176(2) 0.6055(6) 0.7123(2) 0.048(2) Uani 1 1 d . . . . .
C00P C 0.4826(3) 0.5122(8) 0.7003(3) 0.065(3) Uani 1 1 d . . . . .
C00Q C 0.6681(3) 0.7324(8) 0.7746(3) 0.065(3) Uani 1 1 d . . . . .
C00R C 0.6573(3) 0.7903(8) 0.7849(3) 0.073(4) Uani 1 1 d . . . . .
C00S C 0.5151(2) 0.7602(8) 0.6385(3) 0.067(4) Uani 1 1 d . . . . .
C00T C 0.4504(3) 0.4853(8) 0.6896(4) 0.072(4) Uani 1 1 d . . . . .
H00A H 0.449028 0.462345 0.709377 0.108 Uiso 1 1 calc R U . . .
H00B H 0.445671 0.454833 0.670124 0.108 Uiso 1 1 calc R U . . .
H00C H 0.435813 0.521505 0.682514 0.108 Uiso 1 1 calc R U . . .
C00U C 0.6786(3) 0.8395(8) 0.8039(3) 0.072(4) Uani 1 1 d . . . . .
H00U H 0.671739 0.878774 0.810281 0.086 Uiso 1 1 calc R U . . .
C00V C 0.5998(3) 0.6020(8) 0.6643(3) 0.068(4) Uani 1 1 d . . . . .
C00W C 0.4869(3) 0.5780(8) 0.7020(3) 0.065(3) Uani 1 1 d . . . . .
H00W H 0.470025 0.606485 0.696572 0.078 Uiso 1 1 calc R U . . .
C00X C 0.4869(3) 0.7928(8) 0.6139(3) 0.070(4) Uani 1 1 d . . . . .
C00Y C 0.5588(3) 0.9010(7) 0.7619(3) 0.064(3) Uani 1 1 d . . . . .
C00Z C 0.5382(3) 0.4937(7) 0.7206(3) 0.066(3) Uani 1 1 d . . . . .
C010 C 0.5285(2) 0.8819(7) 0.7980(3) 0.063(3) Uani 1 1 d . . . . .
C011 C 0.5112(3) 0.9112(8) 0.8178(4) 0.081(4) Uani 1 1 d . . . . .
H01A H 0.497978 0.877881 0.821009 0.121 Uiso 1 1 calc R U . . .
H01B H 0.498858 0.948025 0.804598 0.121 Uiso 1 1 calc R U . . .
H01C H 0.525608 0.926691 0.840626 0.121 Uiso 1 1 calc R U . . .
C012 C 0.6233(2) 0.5979(8) 0.8174(3) 0.063(3) Uani 1 1 d . . . . .
C013 C 0.5432(3) 0.7965(7) 0.6499(3) 0.066(4) Uani 1 1 d . . . . .
C014 C 0.5425(2) 0.5665(7) 0.7201(3) 0.060(3) Uani 1 1 d . . . . .
C015 C 0.6072(3) 0.6012(8) 0.8670(3) 0.073(4) Uani 1 1 d . . . . .
C016 C 0.6181(3) 0.5368(9) 0.8759(4) 0.081(4) Uani 1 1 d . . . . .
C017 C 0.5355(4) 0.6234(10) 0.5420(4) 0.089(5) Uani 1 1 d . . . . .
C018 C 0.4754(4) 0.5960(10) 0.5396(3) 0.086(5) Uani 1 1 d . . . . .
C019 C 0.7221(3) 0.7744(10) 0.8045(4) 0.086(5) Uani 1 1 d . . . . .
C01B C 0.5936(3) 0.6361(9) 0.8875(3) 0.078(4) Uani 1 1 d . . . . .
H01D H 0.587507 0.680482 0.882621 0.093 Uiso 1 1 calc R U . . .
C01C C 0.4868(3) 0.8555(8) 0.6010(3) 0.076(4) Uani 1 1 d . . . . .
C01D C 0.6158(4) 0.5063(11) 0.9072(4) 0.104(6) Uani 1 1 d . . . . .
H01E H 0.624435 0.464458 0.915043 0.125 Uiso 1 1 calc R U . . .
C01E C 0.4582(3) 0.7570(8) 0.6019(4) 0.079(4) Uani 1 1 d . . . . .
H01F H 0.458199 0.713857 0.610290 0.094 Uiso 1 1 calc R U . . .
C01F C 0.5428(3) 0.8619(8) 0.6371(3) 0.080(4) Uani 1 1 d . . . . .
H01G H 0.561270 0.885525 0.644319 0.096 Uiso 1 1 calc R U . . .
C01G C 0.5738(3) 0.9464(8) 0.7473(4) 0.077(4) Uani 1 1 d . . . . .
H01H H 0.585723 0.930368 0.735808 0.093 Uiso 1 1 calc R U . . .
C01H C 0.5075(3) 0.4692(7) 0.7084(4) 0.065(3) Uani 1 1 d . . . . .
C01I C 0.6161(3) 0.6618(9) 0.6676(3) 0.078(4) Uani 1 1 d . . . . .
C01J C 0.7000(3) 0.7242(11) 0.7840(4) 0.093(6) Uani 1 1 d . . . . .
C01L C 0.5652(4) 0.6478(12) 0.5592(5) 0.112(7) Uani 1 1 d . . . . .
H01L H 0.575010 0.649321 0.583876 0.134 Uiso 1 1 calc R U . . .
C01O C 0.5155(4) 0.8922(9) 0.6139(4) 0.085(4) Uani 1 1 d . . . . .
C01P C 0.6327(3) 0.5325(10) 0.8260(4) 0.091(5) Uani 1 1 d . . . . .
H01P H 0.641718 0.510770 0.812659 0.110 Uiso 1 1 calc R U . . .
C01R C 0.6342(3) 0.6704(11) 0.6473(3) 0.093(6) Uani 1 1 d . . . . .
C01T C 0.5423(3) 0.9270(9) 0.7820(3) 0.079(4) Uani 1 1 d . . . . .
C01U C 0.4316(3) 0.7829(10) 0.5795(4) 0.098(6) Uani 1 1 d . . . . .
H01U H 0.413410 0.758374 0.572271 0.118 Uiso 1 1 calc R U . . .
C01V C 0.7100(3) 0.8300(10) 0.8132(4) 0.086(5) Uani 1 1 d . . . . .
C01X C 0.6296(3) 0.4970(8) 0.8537(4) 0.077(4) Uani 1 1 d . . . . .
C01Y C 0.6922(3) 0.5455(10) 0.7025(5) 0.100(6) Uani 1 1 d . . . . .
H01Y H 0.671685 0.558199 0.689661 0.120 Uiso 1 1 calc R U . . .
C01Z C 0.7104(3) 0.7764(10) 0.9109(4) 0.088(5) Uani 1 1 d . . . . .
C020 C 0.6028(3) 0.5500(10) 0.6431(4) 0.085(5) Uani 1 1 d . . . . .
H020 H 0.591992 0.510842 0.642209 0.102 Uiso 1 1 calc R U . . .
C021 C 0.7195(4) 0.7434(11) 0.8893(4) 0.102(6) Uani 1 1 d . . . . .
H021 H 0.705074 0.732792 0.866647 0.123 Uiso 1 1 calc R U . . .
C022 C 0.4587(3) 0.8825(10) 0.5777(4) 0.102(6) Uani 1 1 d . . . . .
H022 H 0.458071 0.925497 0.568990 0.122 Uiso 1 1 calc R U . . .
C023 C 0.5638(3) 0.4514(8) 0.7298(4) 0.071(3) Uani 1 1 d . . . . .
H023 H 0.583665 0.468895 0.737712 0.085 Uiso 1 1 calc R U . . .
C024 C 0.6519(4) 0.7226(12) 0.6505(5) 0.112(7) Uani 1 1 d . . . . .
H024 H 0.653033 0.754765 0.667226 0.134 Uiso 1 1 calc R U . . .
C025 C 0.4594(3) 0.5340(9) 0.5280(3) 0.080(4) Uani 1 1 d . . . . .
H025 H 0.469856 0.493766 0.535068 0.096 Uiso 1 1 calc R U . . .
C026 C 0.6363(4) 0.6152(13) 0.6257(5) 0.112(7) Uani 1 1 d . . . . .
C02A C 0.6799(4) 0.8788(13) 0.6915(4) 0.117(7) Uani 1 1 d . . . . .
C02B C 0.6010(5) 0.5395(12) 0.9248(5) 0.114(7) Uani 1 1 d . . . . .
H02B H 0.598651 0.519103 0.943764 0.137 Uiso 1 1 calc R U . . .
C02C C 0.5230(3) 0.4875(6) 0.6124(3) 0.106(6) Uani 1 1 d G . . . .
H02C H 0.514199 0.514405 0.624232 0.127 Uiso 1 1 calc R U . . .
C29 C 0.5311(3) 0.4220(7) 0.6235(3) 0.128(8) Uani 1 1 d G . . . .
H29 H 0.527816 0.405158 0.642624 0.154 Uiso 1 1 calc R U . . .
C4 C 0.5443(3) 0.3818(5) 0.6058(3) 0.120(7) Uani 1 1 d G . . . .
H4 H 0.549720 0.338009 0.613206 0.145 Uiso 1 1 calc R U . . .
C27 C 0.5492(3) 0.4070(6) 0.5772(3) 0.115(6) Uani 1 1 d G . . . .
H27 H 0.558008 0.380105 0.565396 0.137 Uiso 1 1 calc R U . . .
C02U C 0.5411(3) 0.4725(6) 0.5662(2) 0.089(5) Uani 1 1 d G . . . .
H02U H 0.544392 0.489351 0.547004 0.106 Uiso 1 1 calc R U . . .
C01M C 0.5279(2) 0.5127(5) 0.5838(3) 0.082(4) Uani 1 1 d G . . . .
C02E C 0.5897(4) 0.6020(10) 0.9147(4) 0.090(5) Uani 1 1 d . . . . .
H02E H 0.579018 0.622721 0.926433 0.108 Uiso 1 1 calc R U . . .
C02F C 0.5799(4) 0.6700(13) 0.5381(6) 0.129(8) Uani 1 1 d . . . . .
H02F H 0.599739 0.687546 0.549330 0.155 Uiso 1 1 calc R U . . .
C02G C 0.5214(4) 0.6201(10) 0.5058(4) 0.100(6) Uani 1 1 d . . . . .
H02G H 0.501678 0.602134 0.494627 0.120 Uiso 1 1 calc R U . . .
C02I C 0.6397(4) 0.4268(10) 0.8623(5) 0.113(7) Uani 1 1 d . . . . .
H02A H 0.623471 0.401373 0.864627 0.170 Uiso 1 1 calc R U . . .
H02D H 0.657849 0.425291 0.884263 0.170 Uiso 1 1 calc R U . . .
H02H H 0.644474 0.408231 0.843643 0.170 Uiso 1 1 calc R U . . .
C02K C 0.7535(4) 0.7659(10) 0.8140(4) 0.090(4) Uani 1 1 d . U . . .
H02K H 0.767322 0.800240 0.825023 0.108 Uiso 1 1 calc R U . . .
C02L C 0.5171(5) 0.9607(11) 0.6003(6) 0.126(8) Uani 1 1 d . . . . .
H02I H 0.511234 0.958815 0.575144 0.188 Uiso 1 1 calc R U . . .
H02J H 0.537874 0.977375 0.611804 0.188 Uiso 1 1 calc R U . . .
H02L H 0.503274 0.989725 0.605333 0.188 Uiso 1 1 calc R U . . .
C02M C 0.4602(4) 0.6565(11) 0.5291(4) 0.096(5) Uani 1 1 d . . . . .
H02M H 0.470132 0.697129 0.537012 0.115 Uiso 1 1 calc R U . . .
C02N C 0.7332(4) 0.7908(12) 0.9432(5) 0.123(8) Uani 1 1 d . . . . .
H02N H 0.727286 0.811191 0.959664 0.147 Uiso 1 1 calc R U . . .
C02O C 0.4288(5) 0.5347(12) 0.5067(5) 0.108(7) Uani 1 1 d . . . . .
H02O H 0.418237 0.494370 0.500426 0.130 Uiso 1 1 calc R U . . .
C02P C 0.5395(4) 0.9979(8) 0.7835(4) 0.088(5) Uani 1 1 d . . . . .
H02P H 0.527766 1.016953 0.794512 0.106 Uiso 1 1 calc R U . . .
C02Q C 0.7179(5) 0.8854(18) 0.6665(6) 0.165(10) Uani 1 1 d . . . . .
H02Q H 0.724344 0.897595 0.648872 0.198 Uiso 1 1 calc R U . . .
C02R C 0.7126(3) 0.6682(12) 0.7745(5) 0.117(8) Uani 1 1 d . . . . .
H02R H 0.699124 0.635548 0.760554 0.141 Uiso 1 1 calc R U . . .
C02S C 0.5040(4) 0.3997(10) 0.7073(4) 0.091(5) Uani 1 1 d . . . . .
H02S H 0.484229 0.382338 0.700570 0.109 Uiso 1 1 calc R U . . .
C02T C 0.7253(4) 0.8176(13) 0.7184(6) 0.129(7) Uani 1 1 d . . . . .
H02T H 0.737679 0.787505 0.735443 0.155 Uiso 1 1 calc R U . . .
C02V C 0.7000(3) 0.5047(11) 0.7321(5) 0.104(6) Uani 1 1 d . . . . .
C02W C 0.7642(4) 0.7047(10) 0.8069(5) 0.101(5) Uani 1 1 d . U . . .
H02W H 0.785315 0.695296 0.817252 0.121 Uiso 1 1 calc R U . . .
C02Y C 0.6628(2) 0.7961(8) 0.9353(2) 0.110(5) Uani 1 1 d G . . . .
C9 C 0.6616(3) 0.8543(7) 0.9531(4) 0.143(7) Uani 1 1 d G . . . .
H9 H 0.664218 0.895498 0.944352 0.172 Uiso 1 1 calc R U . . .
C16 C 0.6565(3) 0.8508(9) 0.9840(4) 0.178(10) Uani 1 1 d G . . . .
H16 H 0.655716 0.889756 0.995856 0.213 Uiso 1 1 calc R U . . .
C21 C 0.6526(3) 0.7892(11) 0.9971(3) 0.167(10) Uani 1 1 d G . . . .
H21 H 0.649177 0.786894 1.017709 0.200 Uiso 1 1 calc R U . . .
C20 C 0.6538(3) 0.7310(8) 0.9793(3) 0.163(9) Uani 1 1 d G . . . .
H20 H 0.651141 0.689774 0.988058 0.196 Uiso 1 1 calc R U . . .
C030 C 0.6589(3) 0.7344(7) 0.9484(3) 0.126(6) Uani 1 1 d G . . . .
H030 H 0.659644 0.695515 0.936554 0.151 Uiso 1 1 calc R U . . .
C02Z C 0.6200(4) 0.5520(11) 0.6242(4) 0.096(6) Uani 1 1 d . . . . .
C032 C 0.7316(4) 0.8870(11) 0.8308(6) 0.131(8) Uani 1 1 d . . . . .
H03A H 0.720020 0.927841 0.826363 0.197 Uiso 1 1 calc R U . . .
H03B H 0.746984 0.890238 0.821294 0.197 Uiso 1 1 calc R U . . .
H03C H 0.741501 0.879206 0.855925 0.197 Uiso 1 1 calc R U . . .
C033 C 0.4315(4) 0.8450(12) 0.5674(5) 0.117(7) Uani 1 1 d . . . . .
H033 H 0.412908 0.863621 0.551871 0.141 Uiso 1 1 calc R U . . .
C034 C 0.7512(4) 0.7235(12) 0.8997(5) 0.111(7) Uani 1 1 d . . . . .
H034 H 0.756732 0.698371 0.884230 0.133 Uiso 1 1 calc R U . . .
C035 C 0.7160(5) 0.5680(13) 0.6917(6) 0.141(10) Uani 1 1 d . . . . .
H035 H 0.711793 0.600878 0.674435 0.169 Uiso 1 1 calc R U . . .
C036 C 0.5591(4) 0.3844(10) 0.7271(5) 0.098(5) Uani 1 1 d . . . . .
H036 H 0.576137 0.356413 0.732776 0.117 Uiso 1 1 calc R U . . .
C037 C 0.6541(3) 0.9890(6) 0.7159(4) 0.125(8) Uani 1 1 d G U . . .
C18 C 0.6680(3) 1.0397(9) 0.7047(4) 0.180(13) Uani 1 1 d G . . . .
H18 H 0.671311 1.034511 0.684117 0.216 Uiso 1 1 calc R U . . .
C6 C 0.6771(4) 1.0983(7) 0.7244(5) 0.167(11) Uani 1 1 d G U . . .
H6 H 0.686458 1.132214 0.716902 0.200 Uiso 1 1 calc R U . . .
C33 C 0.6722(4) 1.1060(7) 0.7552(5) 0.164(11) Uani 1 1 d G U . . .
H33 H 0.678282 1.145198 0.768323 0.197 Uiso 1 1 calc R U . . .
C10 C 0.6582(4) 1.0553(9) 0.7663(4) 0.210(18) Uani 1 1 d G . . . .
H10 H 0.654959 1.060479 0.786960 0.252 Uiso 1 1 calc R U . . .
C30 C 0.6492(3) 0.9967(7) 0.7467(4) 0.132(8) Uani 1 1 d G U . . .
H30 H 0.639811 0.962775 0.754175 0.158 Uiso 1 1 calc R U . . .
C039 C 0.6707(5) 0.6844(11) 0.6085(5) 0.107(6) Uani 1 1 d . U . . .
H039 H 0.681871 0.691143 0.594743 0.129 Uiso 1 1 calc R U . . .
C03D C 0.5705(4) 1.0126(9) 0.7504(5) 0.093(5) Uani 1 1 d . . . . .
H03D H 0.579607 1.042250 0.740123 0.112 Uiso 1 1 calc R U . . .
C03E C 0.5289(4) 0.3548(8) 0.7158(5) 0.098(5) Uani 1 1 d . . . . .
H03E H 0.525925 0.308780 0.714116 0.117 Uiso 1 1 calc R U . . .
C03F C 0.4129(4) 0.5924(15) 0.4941(4) 0.115(8) Uani 1 1 d . . . . .
H03F H 0.392207 0.591647 0.478269 0.137 Uiso 1 1 calc R U . . .
C13 C 0.5671(5) 0.6676(12) 0.5026(6) 0.120(7) Uani 1 1 d . . . . .
H13 H 0.578380 0.681428 0.489869 0.144 Uiso 1 1 calc R U . . .
C15 C 0.4285(5) 0.6526(13) 0.5057(5) 0.110(7) Uani 1 1 d . . . . .
H15 H 0.417560 0.692168 0.497653 0.132 Uiso 1 1 calc R U . . .
C17 C 0.5373(5) 0.6447(12) 0.4850(5) 0.123(8) Uani 1 1 d . . . . .
H17 H 0.527654 0.645069 0.460305 0.147 Uiso 1 1 calc R U . . .
C24 C 0.5542(4) 1.0367(11) 0.7683(5) 0.102(5) Uani 1 1 d . . . . .
H24 H 0.553064 1.082739 0.770359 0.122 Uiso 1 1 calc R U . . .
C31 C 0.7639(4) 0.7783(13) 0.9535(5) 0.119(7) Uani 1 1 d . . . . .
H31 H 0.778477 0.794478 0.974953 0.143 Uiso 1 1 calc R U . . .
C143 C 0.7724(4) 0.7407(14) 0.9312(6) 0.131(9) Uani 1 1 d . . . . .
H143 H 0.792861 0.727462 0.938105 0.157 Uiso 1 1 calc R U . . .
C75 C 0.7311(4) 0.4778(12) 0.7505(6) 0.119(7) Uani 1 1 d . . . . .
H75 H 0.737015 0.451455 0.770742 0.142 Uiso 1 1 calc R U . . .
C8 C 0.7456(5) 0.5394(13) 0.7079(7) 0.130(8) Uani 1 1 d . . . . .
H8 H 0.760995 0.550536 0.700233 0.156 Uiso 1 1 calc R U . . .
C131 C 0.7513(4) 0.4957(13) 0.7346(6) 0.122(8) Uani 1 1 d . . . . .
H131 H 0.770607 0.475098 0.743470 0.147 Uiso 1 1 calc R U . . .
C5 C 0.6970(3) 0.8391(11) 0.7168(4) 0.102(5) Uani 1 1 d . . . . .
H5 H 0.690158 0.825077 0.733850 0.122 Uiso 1 1 calc R U . . .
C7 C 0.7341(5) 0.8456(15) 0.6917(7) 0.146(8) Uani 1 1 d . . . . .
H7 H 0.753477 0.833629 0.692773 0.175 Uiso 1 1 calc R U . . .
C22 C 0.6904(5) 0.9098(16) 0.6665(6) 0.168(10) Uani 1 1 d . . . . .
H22 H 0.679299 0.943863 0.651322 0.201 Uiso 1 1 calc R U . . .
C53 C 0.6913(3) 0.4636(10) 0.7947(3) 0.121(5) Uani 1 1 d G U . . .
C2 C 0.7069(4) 0.5178(8) 0.8153(6) 0.166(8) Uani 1 1 d G U . . .
H2 H 0.706669 0.558809 0.804634 0.199 Uiso 1 1 calc R U . . .
C32 C 0.7227(4) 0.5108(10) 0.8519(5) 0.182(8) Uani 1 1 d G U . . .
H32 H 0.733144 0.547023 0.865648 0.219 Uiso 1 1 calc R U . . .
C3 C 0.7231(4) 0.4495(12) 0.8678(3) 0.182(9) Uani 1 1 d G U . . .
H3 H 0.733678 0.444759 0.892286 0.218 Uiso 1 1 calc R U . . .
C45 C 0.7075(4) 0.3953(9) 0.8472(5) 0.148(6) Uani 1 1 d G U . . .
H45 H 0.707736 0.354281 0.857911 0.178 Uiso 1 1 calc R U . . .
C44 C 0.6917(4) 0.4023(8) 0.8107(5) 0.159(7) Uani 1 1 d G U . . .
H44 H 0.681261 0.366065 0.796898 0.191 Uiso 1 1 calc R U . . .
C25 C 0.6809(4) 0.9973(8) 0.8803(5) 0.180(13) Uani 1 1 d G . . . .
H25 H 0.696382 1.029518 0.887769 0.216 Uiso 1 1 calc R U . . .
C12 C 0.6508(4) 1.0149(6) 0.8578(5) 0.168(11) Uani 1 1 d G . . . .
H12 H 0.646188 1.058787 0.850236 0.202 Uiso 1 1 calc R U . . .
C19 C 0.6276(3) 0.9667(8) 0.8467(4) 0.147(9) Uani 1 1 d G . . . .
H19 H 0.607512 0.978475 0.831697 0.176 Uiso 1 1 calc R U . . .
C03A C 0.6345(2) 0.9011(7) 0.8581(3) 0.119(6) Uani 1 1 d G . . . .
H03G H 0.619029 0.868893 0.850691 0.143 Uiso 1 1 calc R U . . .
C02H C 0.6646(3) 0.8836(6) 0.8806(3) 0.103(5) Uani 1 1 d G . . . .
C48 C 0.6878(2) 0.9317(9) 0.8917(4) 0.149(9) Uani 1 1 d G . . . .
H48 H 0.707900 0.919934 0.906763 0.179 Uiso 1 1 calc R U . . .
C35 C 0.6547(4) 0.6204(11) 0.6059(5) 0.109(6) Uani 1 1 d . U . . .
H35 H 0.656524 0.585258 0.592181 0.130 Uiso 1 1 calc R U . . .
C34 C 0.6695(4) 0.7335(14) 0.6303(5) 0.130(9) Uani 1 1 d . . . . .
H34 H 0.679946 0.773564 0.631997 0.155 Uiso 1 1 calc R U . . .
C28 C 0.7443(4) 0.6588(16) 0.7850(6) 0.162(12) Uani 1 1 d . . . . .
H28 H 0.751668 0.621856 0.777143 0.195 Uiso 1 1 calc R U . . .
C158 C 0.6670(4) 0.2920(8) 0.7050(6) 0.219(16) Uani 1 1 d G . . . .
H158 H 0.681089 0.259777 0.704830 0.263 Uiso 1 1 calc R U . . .
C37 C 0.6776(3) 0.3523(9) 0.7225(5) 0.167(9) Uani 1 1 d G U . . .
H37 H 0.698765 0.360314 0.733995 0.200 Uiso 1 1 calc R U . . .
C02J C 0.6566(3) 0.4005(7) 0.7228(4) 0.116(6) Uani 1 1 d G . . . .
C038 C 0.6250(3) 0.3884(7) 0.7057(4) 0.111(5) Uani 1 1 d G . . . .
H038 H 0.610954 0.420688 0.705863 0.133 Uiso 1 1 calc R U . . .
C23 C 0.6144(3) 0.3282(8) 0.6882(4) 0.133(7) Uani 1 1 d G . . . .
H23 H 0.593278 0.320152 0.676698 0.160 Uiso 1 1 calc R U . . .
C14 C 0.6354(4) 0.2800(7) 0.6879(5) 0.218(16) Uani 1 1 d G . . . .
H14 H 0.628345 0.239695 0.676181 0.262 Uiso 1 1 calc R U . . .
C159 C 0.5857(8) 0.9560(16) 0.5785(9) 0.187(9) Uani 1 1 d D U . . .
H159 H 0.578902 0.968929 0.554839 0.224 Uiso 1 1 calc R U . . .
C36 C 0.5875(7) 1.0120(16) 0.5997(8) 0.177(8) Uani 1 1 d D U . . .
H36 H 0.577249 1.052313 0.591773 0.213 Uiso 1 1 calc R U . . .
C029 C 0.6079(7) 0.9964(14) 0.6361(8) 0.170(8) Uani 1 1 d D U . . .
H029 H 0.614003 1.028075 0.654124 0.204 Uiso 1 1 calc R U . . .
C26 C 0.6178(7) 0.9298(14) 0.6419(7) 0.154(7) Uani 1 1 d D U . . .
C11 C 0.6115(7) 0.8745(16) 0.6184(8) 0.176(8) Uani 1 1 d D U . . .
H11 H 0.620225 0.832869 0.626478 0.212 Uiso 1 1 calc R U . . .
C1 C 0.6236(5) 0.4918(11) 0.6033(5) 0.120(7) Uani 1 1 d . . . . .
H1A H 0.643090 0.470551 0.616480 0.181 Uiso 1 1 calc R U . . .
H1B H 0.622711 0.506434 0.580755 0.181 Uiso 1 1 calc R U . . .
H1C H 0.607100 0.460667 0.599584 0.181 Uiso 1 1 calc R U . . .
C55 C 0.5910(8) 0.8848(16) 0.5816(8) 0.198(9) Uani 1 1 d D U . . .
H55 H 0.583098 0.852829 0.563782 0.237 Uiso 1 1 calc R U . . .
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'
P P 0.2955 0.4335 '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
Au01 Au01 Au04 133.701(16) 2_656 . ?
Au01 Au01 Au06 134.862(15) 2_656 . ?
Au02 Au01 Au01 111.74(2) . 2_656 ?
Au02 Au01 Au04 90.196(18) . . ?
Au02 Au01 Au06 60.837(17) . . ?
Au03 Au01 Au01 108.55(2) . 2_656 ?
Au03 Au01 Au02 139.712(19) . . ?
Au03 Au01 Au04 61.137(16) . . ?
Au03 Au01 Au06 90.261(18) . . ?
Au06 Au01 Au04 91.406(17) . . ?
C00K Au01 Au01 95.1(3) . 2_656 ?
C00K Au01 Au02 51.3(3) . . ?
C00K Au01 Au03 125.3(3) . . ?
C00K Au01 Au04 66.8(3) . . ?
C00K Au01 Au06 106.9(3) . . ?
C00K Au01 C00O 171.4(3) . . ?
C00O Au01 Au01 93.4(2) . 2_656 ?
C00O Au01 Au02 124.0(3) . . ?
C00O Au01 Au03 52.2(3) . . ?
C00O Au01 Au04 107.7(2) . . ?
C00O Au01 Au06 65.9(3) . . ?
Au01 Au02 Au05 90.485(18) . . ?
Au01 Au02 Au06 67.534(17) . . ?
Au01 Au02 Au0C 163.51(2) . . ?
Au06 Au02 Au05 89.029(19) . . ?
Au0C Au02 Au05 75.57(2) . . ?
Au0C Au02 Au06 102.89(2) . . ?
C00K Au02 Au01 52.0(3) . . ?
C00K Au02 Au05 68.8(3) . . ?
C00K Au02 Au06 113.7(3) . . ?
C00K Au02 Au0C 127.3(3) . . ?
C00N Au02 Au01 128.7(3) . . ?
C00N Au02 Au05 110.8(3) . . ?
C00N Au02 Au06 66.9(3) . . ?
C00N Au02 Au0C 51.9(3) . . ?
C00N Au02 C00K 179.2(5) . . ?
Au01 Au03 Au04 67.526(17) . . ?
Au01 Au03 Au07 90.296(18) . . ?
Au01 Au03 Au0B 161.47(2) . . ?
Au04 Au03 Au07 89.219(18) . . ?
Au0B Au03 Au04 102.01(2) . . ?
Au0B Au03 Au07 73.86(2) . . ?
C00O Au03 Au01 53.0(3) . . ?
C00O Au03 Au04 114.2(3) . . ?
C00O Au03 Au07 67.5(3) . . ?
C00O Au03 Au0B 125.4(3) . . ?
C00S Au03 Au01 129.0(3) . . ?
C00S Au03 Au04 67.0(3) . . ?
C00S Au03 Au07 110.8(3) . . ?
C00S Au03 Au0B 52.4(4) . . ?
C00S Au03 C00O 177.7(5) . . ?
Au03 Au04 Au01 51.336(14) . . ?
Au05 Au04 Au01 87.619(18) . . ?
Au05 Au04 Au03 129.07(3) . . ?
Au05 Au04 Au09 101.63(2) . . ?
Au05 Au04 Au0D 57.822(17) . . ?
Au09 Au04 Au01 113.13(3) . . ?
Au09 Au04 Au03 75.12(2) . . ?
Au09 Au04 Au0D 61.11(2) . . ?
Au0D Au04 Au01 139.49(2) . . ?
Au0D Au04 Au03 135.26(3) . . ?
C00L Au04 Au01 65.4(3) . . ?
C00L Au04 Au03 114.8(3) . . ?
C00L Au04 Au05 52.8(3) . . ?
C00L Au04 Au09 153.8(3) . . ?
C00L Au04 Au0D 102.0(3) . . ?
C00L Au04 C013 157.1(5) . . ?
C013 Au04 Au01 118.0(3) . . ?
C013 Au04 Au03 67.1(3) . . ?
C013 Au04 Au05 145.4(3) . . ?
C013 Au04 Au09 48.6(4) . . ?
C013 Au04 Au0D 88.9(3) . . ?
Au02 Au05 Au08 68.130(18) . . ?
Au04 Au05 Au02 91.550(18) . . ?
Au04 Au05 Au08 109.85(2) . . ?
Au04 Au05 Au0D 64.821(18) . . ?
Au0D Au05 Au02 149.75(3) . . ?
Au0D Au05 Au08 101.03(3) . . ?
C00L Au05 Au02 66.9(3) . . ?
C00L Au05 Au04 50.3(2) . . ?
C00L Au05 Au08 129.3(3) . . ?
C00L Au05 Au0D 106.0(3) . . ?
C00R Au05 Au02 119.3(4) . . ?
C00R Au05 Au04 132.5(3) . . ?
C00R Au05 Au08 59.4(5) . . ?
C00R Au05 Au0D 72.0(3) . . ?
C00R Au05 C00L 171.0(6) . . ?
Au02 Au06 Au01 51.628(14) . . ?
Au02 Au06 Au0E 134.97(3) . . ?
Au07 Au06 Au01 88.193(18) . . ?
Au07 Au06 Au02 130.06(3) . . ?
Au07 Au06 Au08 101.53(2) . . ?
Au07 Au06 Au0E 57.280(17) . . ?
Au08 Au06 Au01 113.77(3) . . ?
Au08 Au06 Au02 75.63(2) . . ?
Au08 Au06 Au0E 60.37(2) . . ?
Au0E Au06 Au01 139.18(2) . . ?
C012 Au06 Au01 118.4(4) . . ?
C012 Au06 Au02 67.2(4) . . ?
C012 Au06 Au07 145.1(3) . . ?
C012 Au06 Au08 48.7(3) . . ?
C012 Au06 Au0E 88.8(3) . . ?
C014 Au06 Au01 64.6(4) . . ?
C014 Au06 Au02 114.4(3) . . ?
C014 Au06 Au07 52.4(2) . . ?
C014 Au06 Au08 153.1(3) . . ?
C014 Au06 Au0E 102.2(3) . . ?
C014 Au06 C012 157.6(4) . . ?
Au03 Au07 Au09 67.358(18) . . ?
Au06 Au07 Au03 91.132(18) . . ?
Au06 Au07 Au09 109.32(2) . . ?
Au06 Au07 Au0E 66.540(19) . . ?
Au0E Au07 Au03 150.01(3) . . ?
Au0E Au07 Au09 100.19(2) . . ?
C00V Au07 Au03 119.5(4) . . ?
C00V Au07 Au06 131.9(3) . . ?
C00V Au07 Au09 59.9(4) . . ?
C00V Au07 Au0E 69.9(3) . . ?
C00V Au07 C014 172.5(6) . . ?
C014 Au07 Au03 65.4(4) . . ?
C014 Au07 Au06 50.8(3) . . ?
C014 Au07 Au09 127.2(4) . . ?
C014 Au07 Au0E 109.0(3) . . ?
Au06 Au08 Au05 90.79(2) . . ?
Au06 Au08 Au0A 93.95(2) . . ?
Au06 Au08 Au0C 97.004(18) . . ?
Au06 Au08 Au0E 64.19(2) . . ?
Au0A Au08 Au05 71.59(2) . . ?
Au0A Au08 Au0C 137.45(3) . . ?
Au0A Au08 Au0E 60.79(2) . . ?
Au0C Au08 Au05 67.280(19) . . ?
Au0E Au08 Au05 122.68(2) . . ?
Au0E Au08 Au0C 157.17(3) . . ?
C00Q Au08 Au05 64.7(4) . . ?
C00Q Au08 Au06 140.2(3) . . ?
C00Q Au08 Au0A 49.9(3) . . ?
C00Q Au08 Au0C 101.0(3) . . ?
C00Q Au08 Au0E 101.8(3) . . ?
C012 Au08 Au05 110.9(4) . . ?
C012 Au08 Au06 53.1(3) . . ?
C012 Au08 Au0A 146.4(3) . . ?
C012 Au08 Au0C 63.1(4) . . ?
C012 Au08 Au0E 94.3(4) . . ?
C012 Au08 C00Q 163.0(5) . . ?
Au04 Au09 Au07 91.44(2) . . ?
Au04 Au09 Au0A 94.03(2) . . ?
Au04 Au09 Au0B 98.270(19) . . ?
Au04 Au09 Au0D 62.76(2) . . ?
Au0A Au09 Au07 71.47(2) . . ?
Au0A Au09 Au0B 136.63(3) . . ?
Au0A Au09 Au0D 61.35(2) . . ?
Au0B Au09 Au07 66.82(2) . . ?
Au0D Au09 Au07 122.51(2) . . ?
Au0D Au09 Au0B 157.35(3) . . ?
C013 Au09 Au04 53.2(3) . . ?
C013 Au09 Au07 111.9(3) . . ?
C013 Au09 Au0A 146.5(3) . . ?
C013 Au09 Au0B 64.8(3) . . ?
C013 Au09 Au0D 93.0(3) . . ?
C013 Au09 C01I 163.2(5) . . ?
C01I Au09 Au04 140.4(3) . . ?
C01I Au09 Au07 64.5(4) . . ?
C01I Au09 Au0A 49.8(3) . . ?
C01I Au09 Au0B 99.9(4) . . ?
C01I Au09 Au0D 102.7(4) . . ?
Au08 Au0A Au0D 107.49(3) . . ?
Au08 Au0A Au0E 61.09(2) . . ?
Au09 Au0A Au08 124.85(2) . . ?
Au09 Au0A Au0D 60.81(2) . . ?
Au09 Au0A Au0E 107.80(3) . . ?
Au0E Au0A Au0D 157.26(2) . . ?
C00Q Au0A Au08 49.9(4) . . ?
C00Q Au0A Au09 137.9(4) . . ?
C00Q Au0A Au0D 80.4(4) . . ?
C00Q Au0A Au0E 102.1(4) . . ?
C01I Au0A Au08 137.7(4) . . ?
C01I Au0A Au09 49.4(4) . . ?
C01I Au0A Au0D 101.9(5) . . ?
C01I Au0A Au0E 80.3(5) . . ?
C01I Au0A C00Q 168.4(4) . . ?
Au03 Au0B Au09 73.962(18) . . ?
P00F Au0B Au03 144.82(11) . . ?
P00F Au0B Au09 128.05(9) . . ?
C00S Au0B Au03 50.3(3) . . ?
C00S Au0B Au09 65.7(3) . . ?
C00S Au0B P00F 156.8(3) . . ?
Au02 Au0C Au08 72.758(18) . . ?
P00G Au0C Au02 143.24(13) . . ?
P00G Au0C Au08 128.77(11) . . ?
C00N Au0C Au02 50.8(3) . . ?
C00N Au0C Au08 64.6(3) . . ?
C00N Au0C P00G 158.6(3) . . ?
Au05 Au0D Au04 57.357(16) . . ?
Au05 Au0D Au09 97.61(2) . . ?
Au05 Au0D Au0A 77.46(2) . . ?
Au09 Au0D Au04 56.133(17) . . ?
Au09 Au0D Au0A 57.85(2) . . ?
Au0A Au0D Au04 87.96(2) . . ?
P00I Au0D Au04 139.47(13) . . ?
P00I Au0D Au05 144.82(16) . . ?
P00I Au0D Au09 117.23(15) . . ?
P00I Au0D Au0A 124.21(17) . . ?
Au07 Au0E Au06 56.180(16) . . ?
Au07 Au0E Au08 96.96(2) . . ?
Au07 Au0E Au0A 77.76(3) . . ?
Au08 Au0E Au06 55.434(17) . . ?
Au0A Au0E Au06 87.17(2) . . ?
Au0A Au0E Au08 58.12(2) . . ?
P00H Au0E Au06 138.26(11) . . ?
P00H Au0E Au07 145.36(15) . . ?
P00H Au0E Au08 116.78(14) . . ?
P00H Au0E Au0A 125.74(15) . . ?
C017 P00F Au0B 113.2(6) . . ?
C017 P00F C018 104.4(7) . . ?
C018 P00F Au0B 108.0(5) . . ?
C01M P00F Au0B 114.4(3) . . ?
C01M P00F C017 108.0(7) . . ?
C01M P00F C018 108.3(8) . . ?
C01Z P00G Au0C 114.7(6) . . ?
C01Z P00G C02Y 104.7(6) . . ?
C01Z P00G C02H 108.8(8) . . ?
C02Y P00G Au0C 108.0(5) . . ?
C02Y P00G C02H 105.4(8) . . ?
C02H P00G Au0C 114.3(4) . . ?
C02V P00H Au0E 113.4(7) . . ?
C02V P00H C53 102.8(8) . . ?
C53 P00H Au0E 111.5(5) . . ?
C02J P00H Au0E 115.1(5) . . ?
C02J P00H C02V 103.5(8) . . ?
C02J P00H C53 109.5(9) . . ?
C02A P00I Au0D 108.6(8) . . ?
C02A P00I C26 103.7(10) . . ?
C037 P00I Au0D 115.0(6) . . ?
C037 P00I C02A 105.6(8) . . ?
C037 P00I C26 112.5(10) . . ?
C26 P00I Au0D 110.6(9) . . ?
Au02 C00K Au01 76.7(5) . . ?
C00L C00K Au01 111.6(7) . . ?
C00L C00K Au02 113.0(7) . . ?
C00L C00K C00M 118.1(12) . . ?
C00M C00K Au01 118.7(8) . . ?
C00M C00K Au02 111.7(8) . . ?
Au04 C00L Au05 76.9(3) . . ?
C00K C00L Au04 116.2(8) . . ?
C00K C00L Au05 111.2(8) . . ?
C00K C00L C00Y 120.3(10) . . ?
C00Y C00L Au04 112.5(8) . . ?
C00Y C00L Au05 111.6(7) . . ?
C00K C00M H00M 118.3 . . ?
C010 C00M C00K 123.5(12) . . ?
C010 C00M H00M 118.3 . . ?
Au02 C00N Au0C 77.3(4) . . ?
C012 C00N Au02 111.5(7) . . ?
C012 C00N Au0C 107.6(8) . . ?
C012 C00N C015 120.4(12) . . ?
C015 C00N Au02 121.7(8) . . ?
C015 C00N Au0C 108.3(9) . . ?
Au03 C00O Au01 74.8(4) . . ?
C00W C00O Au01 118.4(8) . . ?
C00W C00O Au03 109.3(8) . . ?
C014 C00O Au01 110.8(7) . . ?
C014 C00O Au03 111.8(7) . . ?
C014 C00O C00W 121.9(12) . . ?
C00W C00P C00T 119.0(12) . . ?
C00W C00P C01H 120.5(11) . . ?
C01H C00P C00T 120.5(13) . . ?
Au08 C00Q Au0A 80.3(4) . . ?
C00R C00Q Au08 100.6(8) . . ?
C00R C00Q Au0A 113.6(8) . . ?
C00R C00Q C01J 119.7(13) . . ?
C01J C00Q Au08 120.0(12) . . ?
C01J C00Q Au0A 115.6(9) . . ?
C00Q C00R Au05 119.7(9) . . ?
C00U C00R Au05 121.3(12) . . ?
C00U C00R C00Q 119.0(12) . . ?
Au03 C00S Au0B 77.4(5) . . ?
C00X C00S Au03 124.0(9) . . ?
C00X C00S Au0B 108.8(8) . . ?
C013 C00S Au03 112.5(8) . . ?
C013 C00S Au0B 106.3(9) . . ?
C013 C00S C00X 117.9(14) . . ?
C00P C00T H00A 109.5 . . ?
C00P C00T H00B 109.5 . . ?
C00P C00T H00C 109.5 . . ?
H00A C00T H00B 109.5 . . ?
H00A C00T H00C 109.5 . . ?
H00B C00T H00C 109.5 . . ?
C00R C00U H00U 119.9 . . ?
C01V C00U C00R 120.3(16) . . ?
C01V C00U H00U 119.9 . . ?
C01I C00V Au07 118.7(9) . . ?
C01I C00V C020 120.0(11) . . ?
C020 C00V Au07 121.2(11) . . ?
C00O C00W H00W 119.8 . . ?
C00P C00W C00O 120.3(12) . . ?
C00P C00W H00W 119.8 . . ?
C01C C00X C00S 122.7(12) . . ?
C01C C00X C01E 118.3(13) . . ?
C01E C00X C00S 119.0(14) . . ?
C00L C00Y C01T 118.8(13) . . ?
C01G C00Y C00L 121.6(12) . . ?
C01G C00Y C01T 119.3(14) . . ?
C01H C00Z C014 117.7(12) . . ?
C023 C00Z C014 119.6(11) . . ?
C023 C00Z C01H 122.5(14) . . ?
C00M C010 C011 122.8(13) . . ?
C00M C010 C01T 119.7(12) . . ?
C01T C010 C011 117.5(14) . . ?
C010 C011 H01A 109.5 . . ?
C010 C011 H01B 109.5 . . ?
C010 C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
Au08 C012 Au06 78.2(3) . . ?
C00N C012 Au06 104.1(7) . . ?
C00N C012 Au08 116.1(10) . . ?
C01P C012 Au06 106.8(10) . . ?
C01P C012 Au08 120.3(9) . . ?
C01P C012 C00N 119.5(11) . . ?
Au09 C013 Au04 78.2(4) . . ?
C00S C013 Au04 103.7(7) . . ?
C00S C013 Au09 114.4(11) . . ?
C01F C013 Au04 109.6(9) . . ?
C01F C013 Au09 121.2(9) . . ?
C01F C013 C00S 119.1(12) . . ?
Au06 C014 Au07 76.8(3) . . ?
C00O C014 Au06 118.5(9) . . ?
C00O C014 Au07 115.3(9) . . ?
C00O C014 C00Z 117.9(9) . . ?
C00Z C014 Au06 110.7(8) . . ?
C00Z C014 Au07 110.6(8) . . ?
C00N C015 C01B 120.8(14) . . ?
C016 C015 C00N 118.7(12) . . ?
C016 C015 C01B 120.4(12) . . ?
C015 C016 C01D 117.9(14) . . ?
C015 C016 C01X 122.1(12) . . ?
C01D C016 C01X 119.9(16) . . ?
C01L C017 P00F 116.9(12) . . ?
C02G C017 P00F 121.8(13) . . ?
C02G C017 C01L 121.4(15) . . ?
C025 C018 P00F 120.5(15) . . ?
C02M C018 P00F 118.3(14) . . ?
C02M C018 C025 121.2(16) . . ?
C01V C019 C01J 116.1(14) . . ?
C01V C019 C02K 122.8(16) . . ?
C02K C019 C01J 121.1(18) . . ?
C015 C01B H01D 120.9 . . ?
C02E C01B C015 118.3(16) . . ?
C02E C01B H01D 120.9 . . ?
C00X C01C C01O 118.1(13) . . ?
C00X C01C C022 118.6(14) . . ?
C022 C01C C01O 123.2(15) . . ?
C016 C01D H01E 120.0 . . ?
C02B C01D C016 119.9(17) . . ?
C02B C01D H01E 120.0 . . ?
C00X C01E H01F 118.7 . . ?
C01U C01E C00X 122.6(16) . . ?
C01U C01E H01F 118.7 . . ?
C013 C01F H01G 119.0 . . ?
C01O C01F C013 121.9(13) . . ?
C01O C01F H01G 119.0 . . ?
C00Y C01G H01H 120.3 . . ?
C03D C01G C00Y 119.3(16) . . ?
C03D C01G H01H 120.3 . . ?
C00P C01H C00Z 121.1(13) . . ?
C00P C01H C02S 122.4(12) . . ?
C02S C01H C00Z 116.4(13) . . ?
Au09 C01I Au0A 80.7(5) . . ?
C00V C01I Au09 103.3(8) . . ?
C00V C01I Au0A 112.7(9) . . ?
C00V C01I C01R 119.1(13) . . ?
C01R C01I Au09 119.7(14) . . ?
C01R C01I Au0A 114.9(9) . . ?
C00Q C01J C019 121.2(16) . . ?
C02R C01J C00Q 123.2(15) . . ?
C02R C01J C019 115.5(14) . . ?
C017 C01L H01L 121.5 . . ?
C017 C01L C02F 117.1(17) . . ?
C02F C01L H01L 121.5 . . ?
C01C C01O C02L 120.8(15) . . ?
C01F C01O C01C 120.1(15) . . ?
C01F C01O C02L 118.8(15) . . ?
C012 C01P H01P 118.0 . . ?
C012 C01P C01X 124.0(13) . . ?
C01X C01P H01P 118.0 . . ?
C01I C01R C026 118.3(16) . . ?
C024 C01R C01I 123.4(16) . . ?
C024 C01R C026 117.8(14) . . ?
C010 C01T C00Y 119.6(15) . . ?
C010 C01T C02P 122.7(15) . . ?
C02P C01T C00Y 117.6(15) . . ?
C01E C01U H01U 120.6 . . ?
C01E C01U C033 118.9(15) . . ?
C033 C01U H01U 120.6 . . ?
C00U C01V C032 117.9(17) . . ?
C019 C01V C00U 123.7(15) . . ?
C019 C01V C032 118.1(15) . . ?
C016 C01X C02I 121.9(13) . . ?
C01P C01X C016 114.8(15) . . ?
C01P C01X C02I 123.1(14) . . ?
C02V C01Y H01Y 120.2 . . ?
C02V C01Y C035 119.7(15) . . ?
C035 C01Y H01Y 120.2 . . ?
C021 C01Z P00G 118.5(12) . . ?
C021 C01Z C02N 114.7(17) . . ?
C02N C01Z P00G 126.8(15) . . ?
C00V C020 H020 117.2 . . ?
C02Z C020 C00V 125.6(18) . . ?
C02Z C020 H020 117.2 . . ?
C01Z C021 H021 119.0 . . ?
C01Z C021 C034 122.0(17) . . ?
C034 C021 H021 119.0 . . ?
C01C C022 H022 119.9 . . ?
C01C C022 C033 120.1(17) . . ?
C033 C022 H022 119.9 . . ?
C00Z C023 H023 120.6 . . ?
C036 C023 C00Z 118.8(13) . . ?
C036 C023 H023 120.6 . . ?
C01R C024 H024 117.6 . . ?
C01R C024 C34 124.8(19) . . ?
C34 C024 H024 117.6 . . ?
C018 C025 H025 120.4 . . ?
C02O C025 C018 119.2(19) . . ?
C02O C025 H025 120.4 . . ?
C01R C026 C02Z 121.1(13) . . ?
C35 C026 C01R 121(2) . . ?
C35 C026 C02Z 118.2(19) . . ?
C5 C02A P00I 120.4(12) . . ?
C5 C02A C22 123(2) . . ?
C22 C02A P00I 115(2) . . ?
C01D C02B H02B 119.7 . . ?
C02E C02B C01D 120.6(16) . . ?
C02E C02B H02B 119.7 . . ?
C29 C02C H02C 120.0 . . ?
C29 C02C C01M 120.0 . . ?
C01M C02C H02C 120.0 . . ?
C02C C29 H29 120.0 . . ?
C4 C29 C02C 120.0 . . ?
C4 C29 H29 120.0 . . ?
C29 C4 H4 120.0 . . ?
C29 C4 C27 120.0 . . ?
C27 C4 H4 120.0 . . ?
C4 C27 H27 120.0 . . ?
C4 C27 C02U 120.0 . . ?
C02U C27 H27 120.0 . . ?
C27 C02U H02U 120.0 . . ?
C01M C02U C27 120.0 . . ?
C01M C02U H02U 120.0 . . ?
C02C C01M P00F 118.7(6) . . ?
C02U C01M P00F 121.2(6) . . ?
C02U C01M C02C 120.0 . . ?
C01B C02E H02E 118.8 . . ?
C02B C02E C01B 122.5(15) . . ?
C02B C02E H02E 118.8 . . ?
C01L C02F H02F 118.1 . . ?
C13 C02F C01L 124(2) . . ?
C13 C02F H02F 118.1 . . ?
C017 C02G H02G 120.2 . . ?
C017 C02G C17 119.7(17) . . ?
C17 C02G H02G 120.2 . . ?
C01X C02I H02A 109.5 . . ?
C01X C02I H02D 109.5 . . ?
C01X C02I H02H 109.5 . . ?
H02A C02I H02D 109.5 . . ?
H02A C02I H02H 109.5 . . ?
H02D C02I H02H 109.5 . . ?
C019 C02K H02K 120.4 . . ?
C019 C02K C02W 119.1(18) . . ?
C02W C02K H02K 120.4 . . ?
C01O C02L H02I 109.5 . . ?
C01O C02L H02J 109.5 . . ?
C01O C02L H02L 109.5 . . ?
H02I C02L H02J 109.5 . . ?
H02I C02L H02L 109.5 . . ?
H02J C02L H02L 109.5 . . ?
C018 C02M H02M 122.1 . . ?
C018 C02M C15 116(2) . . ?
C15 C02M H02M 122.1 . . ?
C01Z C02N H02N 116.9 . . ?
C31 C02N C01Z 126(2) . . ?
C31 C02N H02N 116.9 . . ?
C025 C02O H02O 118.8 . . ?
C025 C02O C03F 122.3(19) . . ?
C03F C02O H02O 118.8 . . ?
C01T C02P H02P 120.8 . . ?
C24 C02P C01T 118.3(17) . . ?
C24 C02P H02P 120.8 . . ?
C7 C02Q H02Q 121.0 . . ?
C7 C02Q C22 118(2) . . ?
C22 C02Q H02Q 121.0 . . ?
C01J C02R H02R 118.3 . . ?
C28 C02R C01J 123.3(19) . . ?
C28 C02R H02R 118.3 . . ?
C01H C02S H02S 118.2 . . ?
C01H C02S C03E 123.7(15) . . ?
C03E C02S H02S 118.2 . . ?
C5 C02T H02T 122.6 . . ?
C5 C02T C7 115(2) . . ?
C7 C02T H02T 122.6 . . ?
C01Y C02V P00H 118.4(11) . . ?
C01Y C02V C75 121.6(16) . . ?
C75 C02V P00H 119.8(17) . . ?
C02K C02W H02W 119.5 . . ?
C28 C02W C02K 121.1(19) . . ?
C28 C02W H02W 119.5 . . ?
C9 C02Y P00G 122.2(9) . . ?
C9 C02Y C030 120.0 . . ?
C030 C02Y P00G 117.8(9) . . ?
C02Y C9 H9 120.0 . . ?
C16 C9 C02Y 120.0 . . ?
C16 C9 H9 120.0 . . ?
C9 C16 H16 120.0 . . ?
C9 C16 C21 120.0 . . ?
C21 C16 H16 120.0 . . ?
C16 C21 H21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C030 C20 C21 120.0 . . ?
C030 C20 H20 120.0 . . ?
C02Y C030 H030 120.0 . . ?
C20 C030 C02Y 120.0 . . ?
C20 C030 H030 120.0 . . ?
C020 C02Z C026 115.7(17) . . ?
C020 C02Z C1 122.5(19) . . ?
C026 C02Z C1 121.7(14) . . ?
C01V C032 H03A 109.5 . . ?
C01V C032 H03B 109.5 . . ?
C01V C032 H03C 109.5 . . ?
H03A C032 H03B 109.5 . . ?
H03A C032 H03C 109.5 . . ?
H03B C032 H03C 109.5 . . ?
C01U C033 C022 121.4(16) . . ?
C01U C033 H033 119.3 . . ?
C022 C033 H033 119.3 . . ?
C021 C034 H034 120.0 . . ?
C143 C034 C021 120(2) . . ?
C143 C034 H034 120.0 . . ?
C01Y C035 H035 120.6 . . ?
C8 C035 C01Y 118.7(18) . . ?
C8 C035 H035 120.6 . . ?
C023 C036 H036 118.6 . . ?
C023 C036 C03E 122.8(15) . . ?
C03E C036 H036 118.6 . . ?
C18 C037 P00I 120.0(10) . . ?
C18 C037 C30 120.0 . . ?
C30 C037 P00I 120.0(10) . . ?
C037 C18 H18 120.0 . . ?
C037 C18 C6 120.0 . . ?
C6 C18 H18 120.0 . . ?
C18 C6 H6 120.0 . . ?
C33 C6 C18 120.0 . . ?
C33 C6 H6 120.0 . . ?
C6 C33 H33 120.0 . . ?
C6 C33 C10 120.0 . . ?
C10 C33 H33 120.0 . . ?
C33 C10 H10 120.0 . . ?
C33 C10 C30 120.0 . . ?
C30 C10 H10 120.0 . . ?
C037 C30 H30 120.0 . . ?
C10 C30 C037 120.0 . . ?
C10 C30 H30 120.0 . . ?
C35 C039 H039 119.2 . . ?
C34 C039 H039 119.2 . . ?
C34 C039 C35 121.5(17) . . ?
C01G C03D H03D 119.5 . . ?
C01G C03D C24 120.9(17) . . ?
C24 C03D H03D 119.5 . . ?
C02S C03E C036 115.8(16) . . ?
C02S C03E H03E 122.1 . . ?
C036 C03E H03E 122.1 . . ?
C02O C03F H03F 120.9 . . ?
C02O C03F C15 118.2(17) . . ?
C15 C03F H03F 120.9 . . ?
C02F C13 H13 120.1 . . ?
C02F C13 C17 119.8(17) . . ?
C17 C13 H13 120.1 . . ?
C02M C15 H15 118.4 . . ?
C03F C15 C02M 123(2) . . ?
C03F C15 H15 118.4 . . ?
C02G C17 H17 120.9 . . ?
C13 C17 C02G 118.2(17) . . ?
C13 C17 H17 120.9 . . ?
C02P C24 C03D 124(2) . . ?
C02P C24 H24 117.9 . . ?
C03D C24 H24 117.9 . . ?
C02N C31 H31 121.4 . . ?
C02N C31 C143 117.3(17) . . ?
C143 C31 H31 121.4 . . ?
C034 C143 C31 119.3(19) . . ?
C034 C143 H143 120.4 . . ?
C31 C143 H143 120.4 . . ?
C02V C75 H75 123.2 . . ?
C131 C75 C02V 113.6(19) . . ?
C131 C75 H75 123.2 . . ?
C035 C8 H8 120.6 . . ?
C131 C8 C035 118.7(17) . . ?
C131 C8 H8 120.6 . . ?
C75 C131 H131 116.6 . . ?
C8 C131 C75 126.7(17) . . ?
C8 C131 H131 116.6 . . ?
C02A C5 C02T 120.3(18) . . ?
C02A C5 H5 119.8 . . ?
C02T C5 H5 119.8 . . ?
C02Q C7 C02T 126(2) . . ?
C02Q C7 H7 116.8 . . ?
C02T C7 H7 116.8 . . ?
C02A C22 H22 121.9 . . ?
C02Q C22 C02A 116(3) . . ?
C02Q C22 H22 121.9 . . ?
C2 C53 P00H 116.7(13) . . ?
C2 C53 C44 120.0 . . ?
C44 C53 P00H 123.3(13) . . ?
C53 C2 H2 120.0 . . ?
C32 C2 C53 120.0 . . ?
C32 C2 H2 120.0 . . ?
C2 C32 H32 120.0 . . ?
C3 C32 C2 120.0 . . ?
C3 C32 H32 120.0 . . ?
C32 C3 H3 120.0 . . ?
C32 C3 C45 120.0 . . ?
C45 C3 H3 120.0 . . ?
C3 C45 H45 120.0 . . ?
C3 C45 C44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C53 C44 H44 120.0 . . ?
C45 C44 C53 120.0 . . ?
C45 C44 H44 120.0 . . ?
C12 C25 H25 120.0 . . ?
C12 C25 C48 120.0 . . ?
C48 C25 H25 120.0 . . ?
C25 C12 H12 120.0 . . ?
C19 C12 C25 120.0 . . ?
C19 C12 H12 120.0 . . ?
C12 C19 H19 120.0 . . ?
C12 C19 C03A 120.0 . . ?
C03A C19 H19 120.0 . . ?
C19 C03A H03G 120.0 . . ?
C19 C03A C02H 120.0 . . ?
C02H C03A H03G 120.0 . . ?
C03A C02H P00G 115.7(8) . . ?
C48 C02H P00G 124.2(8) . . ?
C48 C02H C03A 120.0 . . ?
C25 C48 H48 120.0 . . ?
C02H C48 C25 120.0 . . ?
C02H C48 H48 120.0 . . ?
C026 C35 C039 116.2(19) . . ?
C026 C35 H35 121.9 . . ?
C039 C35 H35 121.9 . . ?
C024 C34 H34 120.8 . . ?
C039 C34 C024 118(2) . . ?
C039 C34 H34 120.8 . . ?
C02R C28 H28 120.6 . . ?
C02W C28 C02R 119(2) . . ?
C02W C28 H28 120.6 . . ?
C37 C158 H158 120.0 . . ?
C37 C158 C14 120.0 . . ?
C14 C158 H158 120.0 . . ?
C158 C37 H37 120.0 . . ?
C158 C37 C02J 120.0 . . ?
C02J C37 H37 120.0 . . ?
C37 C02J P00H 121.1(9) . . ?
C038 C02J P00H 118.9(9) . . ?
C038 C02J C37 120.0 . . ?
C02J C038 H038 120.0 . . ?
C23 C038 C02J 120.0 . . ?
C23 C038 H038 120.0 . . ?
C038 C23 H23 120.0 . . ?
C038 C23 C14 120.0 . . ?
C14 C23 H23 120.0 . . ?
C158 C14 H14 120.0 . . ?
C23 C14 C158 120.0 . . ?
C23 C14 H14 120.0 . . ?
C36 C159 H159 109.8 . . ?
C36 C159 C55 140(3) . . ?
C55 C159 H159 109.8 . . ?
C159 C36 H36 125.7 . . ?
C159 C36 C029 109(3) . . ?
C029 C36 H36 125.7 . . ?
C36 C029 H029 122.6 . . ?
C26 C029 C36 115(3) . . ?
C26 C029 H029 122.6 . . ?
C029 C26 P00I 111(2) . . ?
C029 C26 C11 131(3) . . ?
C11 C26 P00I 118(2) . . ?
C26 C11 H11 121.0 . . ?
C26 C11 C55 118(3) . . ?
C55 C11 H11 121.0 . . ?
C02Z C1 H1A 109.5 . . ?
C02Z C1 H1B 109.5 . . ?
C02Z C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C159 C55 H55 127.7 . . ?
C11 C55 C159 105(3) . . ?
C11 C55 H55 127.7 . . ?
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
Au01 Au01 3.0108(8) 2_656 ?
Au01 Au02 2.6841(6) . ?
Au01 Au03 2.6774(6) . ?
Au01 Au04 3.1686(7) . ?
Au01 Au06 3.1638(7) . ?
Au01 C00K 2.173(12) . ?
Au01 C00O 2.216(11) . ?
Au02 Au05 3.0682(7) . ?
Au02 Au06 2.9897(8) . ?
Au02 Au0C 2.7002(6) . ?
Au02 C00K 2.152(13) . ?
Au02 C00N 2.145(11) . ?
Au03 Au04 3.0030(7) . ?
Au03 Au07 3.0934(7) . ?
Au03 Au0B 2.6900(6) . ?
Au03 C00O 2.191(11) . ?
Au03 C00S 2.121(14) . ?
Au04 Au05 2.7269(6) . ?
Au04 Au09 2.7371(7) . ?
Au04 Au0D 2.9308(7) . ?
Au04 C00L 2.154(10) . ?
Au04 C013 2.240(10) . ?
Au05 Au08 3.2087(9) . ?
Au05 Au0D 2.7410(7) . ?
Au05 C00L 2.230(10) . ?
Au05 C00R 2.058(12) . ?
Au06 Au07 2.7120(6) . ?
Au06 Au08 2.7390(7) . ?
Au06 Au0E 2.9945(7) . ?
Au06 C012 2.239(11) . ?
Au06 C014 2.158(10) . ?
Au07 Au09 3.2249(9) . ?
Au07 Au0E 2.7464(7) . ?
Au07 C00V 2.073(10) . ?
Au07 C014 2.208(9) . ?
Au08 Au0A 2.8046(7) . ?
Au08 Au0C 3.1930(8) . ?
Au08 Au0E 2.8913(9) . ?
Au08 C00Q 2.176(13) . ?
Au08 C012 2.103(11) . ?
Au09 Au0A 2.7989(7) . ?
Au09 Au0B 3.1106(7) . ?
Au09 Au0D 2.8861(9) . ?
Au09 C013 2.096(14) . ?
Au09 C01I 2.154(14) . ?
Au0A Au0D 2.9011(11) . ?
Au0A Au0E 2.8828(11) . ?
Au0A C00Q 2.176(11) . ?
Au0A C01I 2.167(12) . ?
Au0B P00F 2.254(4) . ?
Au0B C00S 2.183(14) . ?
Au0C P00G 2.259(4) . ?
Au0C C00N 2.178(13) . ?
Au0D P00I 2.259(5) . ?
Au0E P00H 2.264(4) . ?
P00F C017 1.807(14) . ?
P00F C018 1.815(15) . ?
P00F C01M 1.802(11) . ?
P00G C01Z 1.791(17) . ?
P00G C02Y 1.802(10) . ?
P00G C02H 1.826(13) . ?
P00H C02V 1.810(18) . ?
P00H C53 1.888(13) . ?
P00H C02J 1.807(13) . ?
P00I C02A 1.88(2) . ?
P00I C037 1.756(14) . ?
P00I C26 1.93(3) . ?
C00K C00L 1.417(16) . ?
C00K C00M 1.428(15) . ?
C00L C00Y 1.433(18) . ?
C00M H00M 0.9300 . ?
C00M C010 1.351(18) . ?
C00N C012 1.400(17) . ?
C00N C015 1.431(16) . ?
C00O C00W 1.448(14) . ?
C00O C014 1.337(16) . ?
C00P C00T 1.505(15) . ?
C00P C00W 1.33(2) . ?
C00P C01H 1.386(18) . ?
C00Q C00R 1.40(2) . ?
C00Q C01J 1.407(17) . ?
C00R C00U 1.400(19) . ?
C00S C00X 1.463(16) . ?
C00S C013 1.416(16) . ?
C00T H00A 0.9600 . ?
C00T H00B 0.9600 . ?
C00T H00C 0.9600 . ?
C00U H00U 0.9300 . ?
C00U C01V 1.387(18) . ?
C00V C01I 1.40(2) . ?
C00V C020 1.40(2) . ?
C00W H00W 0.9300 . ?
C00X C01C 1.36(2) . ?
C00X C01E 1.434(17) . ?
C00Y C01G 1.430(18) . ?
C00Y C01T 1.446(19) . ?
C00Z C014 1.48(2) . ?
C00Z C01H 1.417(16) . ?
C00Z C023 1.398(18) . ?
C010 C011 1.493(17) . ?
C010 C01T 1.43(2) . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 C01P 1.38(2) . ?
C013 C01F 1.41(2) . ?
C015 C016 1.38(2) . ?
C015 C01B 1.438(18) . ?
C016 C01D 1.472(18) . ?
C016 C01X 1.48(2) . ?
C017 C01L 1.38(2) . ?
C017 C02G 1.37(2) . ?
C018 C025 1.43(2) . ?
C018 C02M 1.39(2) . ?
C019 C01J 1.45(2) . ?
C019 C01V 1.36(2) . ?
C019 C02K 1.39(2) . ?
C01B H01D 0.9300 . ?
C01B C02E 1.388(19) . ?
C01C C01O 1.44(2) . ?
C01C C022 1.39(2) . ?
C01D H01E 0.9300 . ?
C01D C02B 1.37(2) . ?
C01E H01F 0.9300 . ?
C01E C01U 1.32(2) . ?
C01F H01G 0.9300 . ?
C01F C01O 1.39(2) . ?
C01G H01H 0.9300 . ?
C01G C03D 1.35(2) . ?
C01H C02S 1.40(2) . ?
C01I C01R 1.427(16) . ?
C01J C02R 1.40(3) . ?
C01L H01L 0.9300 . ?
C01L C02F 1.39(2) . ?
C01O C02L 1.50(2) . ?
C01P H01P 0.9300 . ?
C01P C01X 1.40(2) . ?
C01R C024 1.31(3) . ?
C01R C026 1.45(3) . ?
C01T C02P 1.43(2) . ?
C01U H01U 0.9300 . ?
C01U C033 1.34(3) . ?
C01V C032 1.51(2) . ?
C01X C02I 1.48(2) . ?
C01Y H01Y 0.9300 . ?
C01Y C02V 1.39(3) . ?
C01Y C035 1.44(2) . ?
C01Z C021 1.32(2) . ?
C01Z C02N 1.36(2) . ?
C020 H020 0.9300 . ?
C020 C02Z 1.338(18) . ?
C021 H021 0.9300 . ?
C021 C034 1.44(2) . ?
C022 H022 0.9300 . ?
C022 C033 1.40(2) . ?
C023 H023 0.9300 . ?
C023 C036 1.36(2) . ?
C024 H024 0.9300 . ?
C024 C34 1.41(2) . ?
C025 H025 0.9300 . ?
C025 C02O 1.35(2) . ?
C026 C02Z 1.47(3) . ?
C026 C35 1.42(2) . ?
C02A C5 1.30(3) . ?
C02A C22 1.45(2) . ?
C02B H02B 0.9300 . ?
C02B C02E 1.36(3) . ?
C02C H02C 0.9300 . ?
C02C C29 1.3900 . ?
C02C C01M 1.3900 . ?
C29 H29 0.9300 . ?
C29 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C02U 1.3900 . ?
C02U H02U 0.9300 . ?
C02U C01M 1.3900 . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C13 1.34(3) . ?
C02G H02G 0.9300 . ?
C02G C17 1.44(2) . ?
C02I H02A 0.9600 . ?
C02I H02D 0.9600 . ?
C02I H02H 0.9600 . ?
C02K H02K 0.9300 . ?
C02K C02W 1.40(2) . ?
C02L H02I 0.9600 . ?
C02L H02J 0.9600 . ?
C02L H02L 0.9600 . ?
C02M H02M 0.9300 . ?
C02M C15 1.42(2) . ?
C02N H02N 0.9300 . ?
C02N C31 1.36(2) . ?
C02O H02O 0.9300 . ?
C02O C03F 1.36(3) . ?
C02P H02P 0.9300 . ?
C02P C24 1.35(2) . ?
C02Q H02Q 0.9300 . ?
C02Q C7 1.29(4) . ?
C02Q C22 1.39(4) . ?
C02R H02R 0.9300 . ?
C02R C28 1.39(2) . ?
C02S H02S 0.9300 . ?
C02S C03E 1.41(2) . ?
C02T H02T 0.9300 . ?
C02T C5 1.38(2) . ?
C02T C7 1.44(3) . ?
C02V C75 1.46(2) . ?
C02W H02W 0.9300 . ?
C02W C28 1.36(3) . ?
C02Y C9 1.3900 . ?
C02Y C030 1.3900 . ?
C9 H9 0.9300 . ?
C9 C16 1.3900 . ?
C16 H16 0.9300 . ?
C16 C21 1.3900 . ?
C21 H21 0.9300 . ?
C21 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C030 1.3900 . ?
C030 H030 0.9300 . ?
C02Z C1 1.53(2) . ?
C032 H03A 0.9600 . ?
C032 H03B 0.9600 . ?
C032 H03C 0.9600 . ?
C033 H033 0.9300 . ?
C034 H034 0.9300 . ?
C034 C143 1.32(3) . ?
C035 H035 0.9300 . ?
C035 C8 1.41(3) . ?
C036 H036 0.9300 . ?
C036 C03E 1.44(2) . ?
C037 C18 1.3900 . ?
C037 C30 1.3900 . ?
C18 H18 0.9300 . ?
C18 C6 1.3900 . ?
C6 H6 0.9300 . ?
C6 C33 1.3900 . ?
C33 H33 0.9300 . ?
C33 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C30 1.3900 . ?
C30 H30 0.9300 . ?
C039 H039 0.9300 . ?
C039 C35 1.47(3) . ?
C039 C34 1.35(3) . ?
C03D H03D 0.9300 . ?
C03D C24 1.36(3) . ?
C03E H03E 0.9300 . ?
C03F H03F 0.9300 . ?
C03F C15 1.39(3) . ?
C13 H13 0.9300 . ?
C13 C17 1.38(3) . ?
C15 H15 0.9300 . ?
C17 H17 0.9300 . ?
C24 H24 0.9300 . ?
C31 H31 0.9300 . ?
C31 C143 1.37(3) . ?
C143 H143 0.9300 . ?
C75 H75 0.9300 . ?
C75 C131 1.41(3) . ?
C8 H8 0.9300 . ?
C8 C131 1.35(3) . ?
C131 H131 0.9300 . ?
C5 H5 0.9300 . ?
C7 H7 0.9300 . ?
C22 H22 0.9300 . ?
C53 C2 1.3900 . ?
C53 C44 1.3900 . ?
C2 H2 0.9300 . ?
C2 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C45 1.3900 . ?
C45 H45 0.9300 . ?
C45 C44 1.3900 . ?
C44 H44 0.9300 . ?
C25 H25 0.9300 . ?
C25 C12 1.3900 . ?
C25 C48 1.3900 . ?
C12 H12 0.9300 . ?
C12 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C03A 1.3900 . ?
C03A H03G 0.9300 . ?
C03A C02H 1.3900 . ?
C02H C48 1.3900 . ?
C48 H48 0.9300 . ?
C35 H35 0.9300 . ?
C34 H34 0.9300 . ?
C28 H28 0.9300 . ?
C158 H158 0.9300 . ?
C158 C37 1.3900 . ?
C158 C14 1.3900 . ?
C37 H37 0.9300 . ?
C37 C02J 1.3900 . ?
C02J C038 1.3900 . ?
C038 H038 0.9300 . ?
C038 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C14 1.3900 . ?
C14 H14 0.9300 . ?
C159 H159 0.9300 . ?
C159 C36 1.404(18) . ?
C159 C55 1.445(18) . ?
C36 H36 0.9300 . ?
C36 C029 1.448(18) . ?
C029 H029 0.9300 . ?
C029 C26 1.402(18) . ?
C26 C11 1.422(18) . ?
C11 H11 0.9300 . ?
C11 C55 1.444(18) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C55 H55 0.9300 . ?
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
Au01 C00K C00L Au04 0.8(10) . . . . ?
Au01 C00K C00L Au05 -84.6(7) . . . . ?
Au01 C00K C00L C00Y 142.2(9) . . . . ?
Au01 C00K C00M C010 -140.1(10) . . . . ?
Au01 C00O C00W C00P -143.9(10) . . . . ?
Au01 C00O C014 Au06 4.2(10) . . . . ?
Au01 C00O C014 Au07 -84.0(7) . . . . ?
Au01 C00O C014 C00Z 142.3(8) . . . . ?
Au02 C00K C00L Au04 85.1(7) . . . . ?
Au02 C00K C00L Au05 -0.3(9) . . . . ?
Au02 C00K C00L C00Y -133.5(9) . . . . ?
Au02 C00K C00M C010 133.6(10) . . . . ?
Au02 C00N C012 Au06 -33.6(10) . . . . ?
Au02 C00N C012 Au08 50.0(10) . . . . ?
Au02 C00N C012 C01P -152.6(10) . . . . ?
Au02 C00N C015 C016 152.5(10) . . . . ?
Au02 C00N C015 C01B -29.1(17) . . . . ?
Au03 C00O C00W C00P 133.4(11) . . . . ?
Au03 C00O C014 Au06 85.6(8) . . . . ?
Au03 C00O C014 Au07 -2.6(10) . . . . ?
Au03 C00O C014 C00Z -136.3(9) . . . . ?
Au03 C00S C00X C01C 153.3(12) . . . . ?
Au03 C00S C00X C01E -28.4(18) . . . . ?
Au03 C00S C013 Au04 -32.7(11) . . . . ?
Au03 C00S C013 Au09 50.4(10) . . . . ?
Au03 C00S C013 C01F -154.9(10) . . . . ?
Au04 C00L C00Y C01G -41.3(14) . . . . ?
Au04 C00L C00Y C01T 144.6(9) . . . . ?
Au04 C013 C01F C01O -118.4(13) . . . . ?
Au05 C00L C00Y C01G 43.0(14) . . . . ?
Au05 C00L C00Y C01T -131.1(10) . . . . ?
Au05 C00R C00U C01V 177.7(11) . . . . ?
Au06 C012 C01P C01X -115.7(14) . . . . ?
Au07 C00V C01I Au09 -41.9(11) . . . . ?
Au07 C00V C01I Au0A 43.5(12) . . . . ?
Au07 C00V C01I C01R -177.5(11) . . . . ?
Au07 C00V C020 C02Z 179.9(12) . . . . ?
Au08 C00Q C00R Au05 -44.7(10) . . . . ?
Au08 C00Q C00R C00U 134.9(11) . . . . ?
Au08 C00Q C01J C019 -124.5(15) . . . . ?
Au08 C00Q C01J C02R 56(2) . . . . ?
Au08 C012 C01P C01X 158.4(11) . . . . ?
Au09 C013 C01F C01O 153.8(12) . . . . ?
Au09 C01I C01R C024 57(2) . . . . ?
Au09 C01I C01R C026 -131.7(15) . . . . ?
Au0A C00Q C00R Au05 39.2(12) . . . . ?
Au0A C00Q C00R C00U -141.2(10) . . . . ?
Au0A C00Q C01J C019 142.0(13) . . . . ?
Au0A C00Q C01J C02R -38(2) . . . . ?
Au0A C01I C01R C024 -37(2) . . . . ?
Au0A C01I C01R C026 134.8(13) . . . . ?
Au0B P00F C017 C01L 43.9(19) . . . . ?
Au0B P00F C017 C02G -135.3(16) . . . . ?
Au0B P00F C018 C025 -131.7(9) . . . . ?
Au0B P00F C018 C02M 46.8(12) . . . . ?
Au0B P00F C01M C02C 36.0(7) . . . . ?
Au0B P00F C01M C02U -145.7(5) . . . . ?
Au0B C00S C00X C01C -119.5(14) . . . . ?
Au0B C00S C00X C01E 58.8(14) . . . . ?
Au0B C00S C013 Au04 -115.5(6) . . . . ?
Au0B C00S C013 Au09 -32.4(9) . . . . ?
Au0B C00S C013 C01F 122.3(12) . . . . ?
Au0C P00G C01Z C021 30.4(18) . . . . ?
Au0C P00G C01Z C02N -149.1(18) . . . . ?
Au0C P00G C02Y C9 -137.5(6) . . . . ?
Au0C P00G C02Y C030 43.9(7) . . . . ?
Au0C P00G C02H C03A 30.7(9) . . . . ?
Au0C P00G C02H C48 -153.1(8) . . . . ?
Au0C C00N C012 Au06 -116.5(6) . . . . ?
Au0C C00N C012 Au08 -33.0(9) . . . . ?
Au0C C00N C012 C01P 124.5(11) . . . . ?
Au0C C00N C015 C016 -121.3(13) . . . . ?
Au0C C00N C015 C01B 57.0(13) . . . . ?
Au0D P00I C02A C5 -35(2) . . . . ?
Au0D P00I C02A C22 157.7(16) . . . . ?
Au0D P00I C037 C18 179.3(6) . . . . ?
Au0D P00I C037 C30 0.4(10) . . . . ?
Au0E P00H C02V C01Y -33.2(18) . . . . ?
Au0E P00H C02V C75 152.1(15) . . . . ?
Au0E P00H C53 C2 -60.8(9) . . . . ?
Au0E P00H C53 C44 117.5(8) . . . . ?
Au0E P00H C02J C37 169.5(7) . . . . ?
Au0E P00H C02J C038 -10.9(10) . . . . ?
P00F C017 C01L C02F -178.1(18) . . . . ?
P00F C017 C02G C17 177.0(17) . . . . ?
P00F C018 C025 C02O 177.8(11) . . . . ?
P00F C018 C02M C15 179.7(10) . . . . ?
P00G C01Z C021 C034 -178.3(16) . . . . ?
P00G C01Z C02N C31 -176(2) . . . . ?
P00G C02Y C9 C16 -178.5(8) . . . . ?
P00G C02Y C030 C20 178.6(8) . . . . ?
P00G C02H C48 C25 -176.1(12) . . . . ?
P00H C02V C75 C131 172.7(17) . . . . ?
P00H C53 C2 C32 178.4(9) . . . . ?
P00H C53 C44 C45 -178.3(10) . . . . ?
P00H C02J C038 C23 -179.6(12) . . . . ?
P00I C02A C5 C02T -174.3(16) . . . . ?
P00I C02A C22 C02Q 178.5(19) . . . . ?
P00I C037 C18 C6 -178.9(11) . . . . ?
P00I C037 C30 C10 178.9(11) . . . . ?
P00I C26 C11 C55 177(2) . . . . ?
C00K C00L C00Y C01G 176.0(11) . . . . ?
C00K C00L C00Y C01T 1.9(16) . . . . ?
C00K C00M C010 C011 -179.8(10) . . . . ?
C00K C00M C010 C01T -1.0(17) . . . . ?
C00L C00K C00M C010 0.0(15) . . . . ?
C00L C00Y C01G C03D -178.8(13) . . . . ?
C00L C00Y C01T C010 -2.8(17) . . . . ?
C00L C00Y C01T C02P -179.9(12) . . . . ?
C00M C00K C00L Au04 -141.9(8) . . . . ?
C00M C00K C00L Au05 132.7(8) . . . . ?
C00M C00K C00L C00Y -0.5(14) . . . . ?
C00M C010 C01T C00Y 2.3(17) . . . . ?
C00M C010 C01T C02P 179.3(12) . . . . ?
C00N C012 C01P C01X 2(2) . . . . ?
C00N C015 C016 C01D 177.1(14) . . . . ?
C00N C015 C016 C01X -7(2) . . . . ?
C00N C015 C01B C02E 177.3(13) . . . . ?
C00P C01H C02S C03E -179.4(15) . . . . ?
C00Q C00R C00U C01V -2(2) . . . . ?
C00Q C01J C02R C28 -178(2) . . . . ?
C00R C00Q C01J C019 0(2) . . . . ?
C00R C00Q C01J C02R -179.4(17) . . . . ?
C00R C00U C01V C019 1(2) . . . . ?
C00R C00U C01V C032 174.8(15) . . . . ?
C00S C00X C01C C01O -4(2) . . . . ?
C00S C00X C01C C022 -179.8(15) . . . . ?
C00S C00X C01E C01U -179.7(15) . . . . ?
C00S C013 C01F C01O 1(2) . . . . ?
C00T C00P C00W C00O 179.8(10) . . . . ?
C00T C00P C01H C00Z -176.2(12) . . . . ?
C00T C00P C01H C02S 0(2) . . . . ?
C00V C01I C01R C024 -175.1(18) . . . . ?
C00V C01I C01R C026 -3(2) . . . . ?
C00V C020 C02Z C026 -1(2) . . . . ?
C00V C020 C02Z C1 176.5(16) . . . . ?
C00W C00O C014 Au06 -142.6(9) . . . . ?
C00W C00O C014 Au07 129.2(9) . . . . ?
C00W C00O C014 C00Z -4.5(15) . . . . ?
C00W C00P C01H C00Z 3.3(19) . . . . ?
C00W C00P C01H C02S 179.4(13) . . . . ?
C00X C00S C013 Au04 122.1(10) . . . . ?
C00X C00S C013 Au09 -154.8(9) . . . . ?
C00X C00S C013 C01F 0.0(18) . . . . ?
C00X C01C C01O C01F 4(2) . . . . ?
C00X C01C C01O C02L 178.9(16) . . . . ?
C00X C01C C022 C033 -1(3) . . . . ?
C00X C01E C01U C033 0(3) . . . . ?
C00Y C01G C03D C24 3(3) . . . . ?
C00Y C01T C02P C24 -5(2) . . . . ?
C00Z C01H C02S C03E -3(2) . . . . ?
C00Z C023 C036 C03E -1(3) . . . . ?
C010 C01T C02P C24 178.1(14) . . . . ?
C011 C010 C01T C00Y -178.7(11) . . . . ?
C011 C010 C01T C02P -1.7(18) . . . . ?
C012 C00N C015 C016 3.0(18) . . . . ?
C012 C00N C015 C01B -178.7(12) . . . . ?
C012 C01P C01X C016 -6(2) . . . . ?
C012 C01P C01X C02I 179.7(16) . . . . ?
C013 C00S C00X C01C 2(2) . . . . ?
C013 C00S C00X C01E 179.9(12) . . . . ?
C013 C01F C01O C01C -3(2) . . . . ?
C013 C01F C01O C02L -177.6(16) . . . . ?
C014 C00O C00W C00P 0.5(17) . . . . ?
C014 C00Z C01H C00P -7.2(18) . . . . ?
C014 C00Z C01H C02S 176.5(12) . . . . ?
C014 C00Z C023 C036 -174.3(13) . . . . ?
C015 C00N C012 Au06 118.8(10) . . . . ?
C015 C00N C012 Au08 -157.6(9) . . . . ?
C015 C00N C012 C01P -0.2(18) . . . . ?
C015 C016 C01D C02B 5(3) . . . . ?
C015 C016 C01X C01P 9(2) . . . . ?
C015 C016 C01X C02I -176.8(16) . . . . ?
C015 C01B C02E C02B 7(3) . . . . ?
C016 C015 C01B C02E -4(2) . . . . ?
C016 C01D C02B C02E -3(3) . . . . ?
C017 P00F C018 C025 107.7(12) . . . . ?
C017 P00F C018 C02M -73.9(13) . . . . ?
C017 P00F C01M C02C 163.0(7) . . . . ?
C017 P00F C01M C02U -18.8(9) . . . . ?
C017 C01L C02F C13 -1(4) . . . . ?
C017 C02G C17 C13 3(4) . . . . ?
C018 P00F C017 C01L 161.1(17) . . . . ?
C018 P00F C017 C02G -18(2) . . . . ?
C018 P00F C01M C02C -84.5(7) . . . . ?
C018 P00F C01M C02U 93.8(8) . . . . ?
C018 C025 C02O C03F 4(2) . . . . ?
C018 C02M C15 C03F 1(2) . . . . ?
C019 C01J C02R C28 3(3) . . . . ?
C019 C02K C02W C28 13(3) . . . . ?
C01B C015 C016 C01D -1(2) . . . . ?
C01B C015 C016 C01X 174.2(13) . . . . ?
C01C C00X C01E C01U -1(2) . . . . ?
C01C C022 C033 C01U 0(3) . . . . ?
C01D C016 C01X C01P -175.9(14) . . . . ?
C01D C016 C01X C02I -1(2) . . . . ?
C01D C02B C02E C01B -3(3) . . . . ?
C01E C00X C01C C01O 178.0(14) . . . . ?
C01E C00X C01C C022 2(2) . . . . ?
C01E C01U C033 C022 1(3) . . . . ?
C01G C00Y C01T C010 -177.1(11) . . . . ?
C01G C00Y C01T C02P 5.8(19) . . . . ?
C01G C03D C24 C02P -2(3) . . . . ?
C01H C00P C00W C00O 0.3(18) . . . . ?
C01H C00Z C014 Au06 148.8(9) . . . . ?
C01H C00Z C014 Au07 -128.0(10) . . . . ?
C01H C00Z C014 C00O 7.7(16) . . . . ?
C01H C00Z C023 C036 0(2) . . . . ?
C01H C02S C03E C036 2(3) . . . . ?
C01I C00V C020 C02Z -2(2) . . . . ?
C01I C01R C024 C34 -178(2) . . . . ?
C01I C01R C026 C02Z 1(3) . . . . ?
C01I C01R C026 C35 -178.0(17) . . . . ?
C01J C00Q C00R Au05 -178.5(11) . . . . ?
C01J C00Q C00R C00U 1(2) . . . . ?
C01J C019 C01V C00U 0(2) . . . . ?
C01J C019 C01V C032 -173.2(16) . . . . ?
C01J C019 C02K C02W -6(3) . . . . ?
C01J C02R C28 C02W 3(4) . . . . ?
C01L C017 C02G C17 -2(3) . . . . ?
C01L C02F C13 C17 3(4) . . . . ?
C01O C01C C022 C033 -177.2(18) . . . . ?
C01R C024 C34 C039 -7(4) . . . . ?
C01R C026 C02Z C020 2(3) . . . . ?
C01R C026 C02Z C1 -176.1(17) . . . . ?
C01R C026 C35 C039 -1(3) . . . . ?
C01T C00Y C01G C03D -5(2) . . . . ?
C01T C02P C24 C03D 3(3) . . . . ?
C01V C019 C01J C00Q -1(2) . . . . ?
C01V C019 C01J C02R 178.6(17) . . . . ?
C01V C019 C02K C02W 174.0(17) . . . . ?
C01X C016 C01D C02B -170.3(18) . . . . ?
C01Y C02V C75 C131 -2(3) . . . . ?
C01Y C035 C8 C131 -5(4) . . . . ?
C01Z P00G C02Y C9 99.9(9) . . . . ?
C01Z P00G C02Y C030 -78.7(9) . . . . ?
C01Z P00G C02H C03A 160.3(8) . . . . ?
C01Z P00G C02H C48 -23.4(11) . . . . ?
C01Z C021 C034 C143 -3(3) . . . . ?
C01Z C02N C31 C143 -8(4) . . . . ?
C020 C00V C01I Au09 139.5(11) . . . . ?
C020 C00V C01I Au0A -135.1(11) . . . . ?
C020 C00V C01I C01R 4(2) . . . . ?
C021 C01Z C02N C31 5(4) . . . . ?
C021 C034 C143 C31 -1(4) . . . . ?
C022 C01C C01O C01F -179.8(16) . . . . ?
C022 C01C C01O C02L -5(3) . . . . ?
C023 C00Z C014 Au06 -36.6(14) . . . . ?
C023 C00Z C014 Au07 46.5(14) . . . . ?
C023 C00Z C014 C00O -177.8(11) . . . . ?
C023 C00Z C01H C00P 178.4(12) . . . . ?
C023 C00Z C01H C02S 2(2) . . . . ?
C023 C036 C03E C02S 0(3) . . . . ?
C024 C01R C026 C02Z 172.8(18) . . . . ?
C024 C01R C026 C35 -6(3) . . . . ?
C025 C018 C02M C15 -2(2) . . . . ?
C025 C02O C03F C15 -4(3) . . . . ?
C026 C01R C024 C34 10(3) . . . . ?
C02A P00I C037 C18 59.6(10) . . . . ?
C02A P00I C037 C30 -119.3(10) . . . . ?
C02C C29 C4 C27 0.0 . . . . ?
C29 C02C C01M P00F 178.3(8) . . . . ?
C29 C02C C01M C02U 0.0 . . . . ?
C29 C4 C27 C02U 0.0 . . . . ?
C4 C27 C02U C01M 0.0 . . . . ?
C27 C02U C01M P00F -178.3(9) . . . . ?
C27 C02U C01M C02C 0.0 . . . . ?
C01M P00F C017 C01L -83.8(18) . . . . ?
C01M P00F C017 C02G 97.0(18) . . . . ?
C01M P00F C018 C025 -7.2(12) . . . . ?
C01M P00F C018 C02M 171.2(10) . . . . ?
C01M C02C C29 C4 0.0 . . . . ?
C02F C13 C17 C02G -4(4) . . . . ?
C02G C017 C01L C02F 1(3) . . . . ?
C02K C019 C01J C00Q 179.3(15) . . . . ?
C02K C019 C01J C02R -1(2) . . . . ?
C02K C019 C01V C00U 180.0(15) . . . . ?
C02K C019 C01V C032 6(3) . . . . ?
C02K C02W C28 C02R -11(4) . . . . ?
C02M C018 C025 C02O -1(2) . . . . ?
C02N C01Z C021 C034 1(3) . . . . ?
C02N C31 C143 C034 6(4) . . . . ?
C02O C03F C15 C02M 2(3) . . . . ?
C02V P00H C53 C2 61.0(10) . . . . ?
C02V P00H C53 C44 -120.7(10) . . . . ?
C02V P00H C02J C37 45.2(11) . . . . ?
C02V P00H C02J C038 -135.2(10) . . . . ?
C02V C01Y C035 C8 10(4) . . . . ?
C02V C75 C131 C8 8(4) . . . . ?
C02Y P00G C01Z C021 148.6(16) . . . . ?
C02Y P00G C01Z C02N -31(2) . . . . ?
C02Y P00G C02H C03A -87.8(8) . . . . ?
C02Y P00G C02H C48 88.4(10) . . . . ?
C02Y C9 C16 C21 0.0 . . . . ?
C9 C02Y C030 C20 0.0 . . . . ?
C9 C16 C21 C20 0.0 . . . . ?
C16 C21 C20 C030 0.0 . . . . ?
C21 C20 C030 C02Y 0.0 . . . . ?
C030 C02Y C9 C16 0.0 . . . . ?
C02Z C026 C35 C039 -179.6(17) . . . . ?
C035 C01Y C02V P00H 178.5(18) . . . . ?
C035 C01Y C02V C75 -7(3) . . . . ?
C035 C8 C131 C75 -5(4) . . . . ?
C037 P00I C02A C5 89(2) . . . . ?
C037 P00I C02A C22 -78.5(18) . . . . ?
C037 C18 C6 C33 0.0 . . . . ?
C18 C037 C30 C10 0.0 . . . . ?
C18 C6 C33 C10 0.0 . . . . ?
C6 C33 C10 C30 0.0 . . . . ?
C33 C10 C30 C037 0.0 . . . . ?
C30 C037 C18 C6 0.0 . . . . ?
C5 C02A C22 C02Q 12(4) . . . . ?
C5 C02T C7 C02Q -3(4) . . . . ?
C7 C02Q C22 C02A -10(4) . . . . ?
C7 C02T C5 C02A 3(3) . . . . ?
C22 C02A C5 C02T -8(4) . . . . ?
C22 C02Q C7 C02T 7(5) . . . . ?
C53 P00H C02V C01Y -153.7(16) . . . . ?
C53 P00H C02V C75 31.6(19) . . . . ?
C53 P00H C02J C37 -63.9(10) . . . . ?
C53 P00H C02J C038 115.7(9) . . . . ?
C53 C2 C32 C3 0.0 . . . . ?
C2 C53 C44 C45 0.0 . . . . ?
C2 C32 C3 C45 0.0 . . . . ?
C32 C3 C45 C44 0.0 . . . . ?
C3 C45 C44 C53 0.0 . . . . ?
C44 C53 C2 C32 0.0 . . . . ?
C25 C12 C19 C03A 0.0 . . . . ?
C12 C25 C48 C02H 0.0 . . . . ?
C12 C19 C03A C02H 0.0 . . . . ?
C19 C03A C02H P00G 176.4(11) . . . . ?
C19 C03A C02H C48 0.0 . . . . ?
C03A C02H C48 C25 0.0 . . . . ?
C02H P00G C01Z C021 -99.1(17) . . . . ?
C02H P00G C01Z C02N 81(2) . . . . ?
C02H P00G C02Y C9 -14.9(8) . . . . ?
C02H P00G C02Y C030 166.6(7) . . . . ?
C48 C25 C12 C19 0.0 . . . . ?
C35 C026 C02Z C020 -179.7(17) . . . . ?
C35 C026 C02Z C1 3(3) . . . . ?
C35 C039 C34 C024 -1(3) . . . . ?
C34 C039 C35 C026 4(3) . . . . ?
C158 C37 C02J P00H 179.6(12) . . . . ?
C158 C37 C02J C038 0.0 . . . . ?
C37 C158 C14 C23 0.0 . . . . ?
C37 C02J C038 C23 0.0 . . . . ?
C02J P00H C02V C01Y 92.3(17) . . . . ?
C02J P00H C02V C75 -82.5(17) . . . . ?
C02J P00H C53 C2 170.6(8) . . . . ?
C02J P00H C53 C44 -11.1(10) . . . . ?
C02J C038 C23 C14 0.0 . . . . ?
C038 C23 C14 C158 0.0 . . . . ?
C14 C158 C37 C02J 0.0 . . . . ?
C159 C36 C029 C26 -7(4) . . . . ?
C36 C159 C55 C11 -20(7) . . . . ?
C36 C029 C26 P00I -177(2) . . . . ?
C36 C029 C26 C11 0(5) . . . . ?
C029 C26 C11 C55 -1(6) . . . . ?
C26 P00I C02A C5 -152.7(19) . . . . ?
C26 P00I C02A C22 40(2) . . . . ?
C26 P00I C037 C18 -52.8(12) . . . . ?
C26 P00I C037 C30 128.3(12) . . . . ?
C26 C11 C55 C159 7(4) . . . . ?
C55 C159 C36 C029 20(7) . . . . ?
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 -0.125 -0.206 -0.794 15982.2 4534.0 '96 CH3CH2OCH2CH3'
