#------------------------------------------------------------------------------
#$Date: 2022-10-05 09:09:05 +0300 (Wed, 05 Oct 2022) $
#$Revision: 278357 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/77/1567723.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_1567723
loop_
_publ_author_name
'Si, Wei-Dan'
'Sheng, Kai'
'Zhang, Chengkai'
'Wang, Zhi'
'Zhang, Shan-Shan'
'Dou, Jian-Min'
'Feng, Lei'
'Gao, Zhi-Yong'
'Tung, Chen-Ho'
'Sun, Di'
_publ_section_title
;
 Bicarbonate insertion triggered self-assembly of chiral octa-gold
 nanoclusters into helical superstructures in the crystalline state
;
_journal_issue                   35
_journal_name_full               'Chemical Science'
_journal_page_first              10523
_journal_page_last               10531
_journal_paper_doi               10.1039/D2SC03463H
_journal_volume                  13
_journal_year                    2022
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C146 H106 Au8 O4 P6 S2, 2(C H O3)'
_chemical_formula_sum            'C148 H108 Au8 O10 P6 S2'
_chemical_formula_weight         3872.01
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_audit_creation_date             2021-10-20
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-01-14 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4744(2)
_cell_length_b                   27.7085(3)
_cell_length_c                   31.2344(3)
_cell_measurement_reflns_used    16781
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      76.3680
_cell_measurement_theta_min      2.8220
_cell_volume                     15988.8(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -117.00 -70.00   1.00    1.12    --  -48.45-125.00 -60.00   47
  2  ω    -59.00  21.00   1.00    1.12    --  -48.45  38.00-150.00   80
  3  ω    -95.00 -38.00   1.00    8.00    --  -86.25 131.00-123.00   57
  4  ω     42.00 129.00   1.00    8.00    --  106.49-142.00  82.00   87
  5  ω     65.00 172.00   1.00    8.00    --  106.49   5.00 169.00  107
  6  ω     79.00 120.00   1.00    8.00    --  106.49 -57.00-120.00   41
  7  ω     34.00  60.00   1.00    8.00    --  106.49 -57.00-120.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0008924000
_diffrn_orient_matrix_UB_12      -0.0519935000
_diffrn_orient_matrix_UB_13      0.0174522000
_diffrn_orient_matrix_UB_21      -0.0051183000
_diffrn_orient_matrix_UB_22      -0.0196197000
_diffrn_orient_matrix_UB_23      -0.0460474000
_diffrn_orient_matrix_UB_31      0.0832379000
_diffrn_orient_matrix_UB_32      -0.0017417000
_diffrn_orient_matrix_UB_33      -0.0026307000
_diffrn_radiation_collimation    0.3
_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  0.0641
_diffrn_reflns_av_unetI/netI     0.0742
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            48414
_diffrn_reflns_point_group_measured_fraction_full 0.920
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         2.829
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    14.631
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_description       needle
_exptl_crystal_F_000             7320
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.374
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.223
_refine_ls_abs_structure_details
;
 Flack x determined using 7353 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.041(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1483
_refine_ls_number_reflns         26263
_refine_ls_number_restraints     1057
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0816P)²+214.2552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1685
_refine_ls_wR_factor_ref         0.1881
_reflns_Friedel_coverage         0.740
_reflns_Friedel_fraction_full    0.846
_reflns_Friedel_fraction_max     0.846
_reflns_number_gt                20735
_reflns_number_total             26263
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc03463h2.cif
_cod_data_source_block           SD_S_Au8c
_cod_database_code               1567723
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         AuC
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.668
_shelx_estimated_absorpt_t_min   0.387
_reflns_odcompleteness_completeness 98.33
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Restrained distances
 C122-C59
 1.39 with sigma of 0.01
 C59-C33
 1.39 with sigma of 0.01
 C33-C127
 1.39 with sigma of 0.01
 C127-C128
 1.39 with sigma of 0.01
 C128-C123
 1.39 with sigma of 0.01
 C123-C122
 1.39 with sigma of 0.01
 C122-C121
 1.39 with sigma of 0.01
 C121-C126
 1.39 with sigma of 0.01
 C126-C125
 1.39 with sigma of 0.01
 C125-C124
 1.39 with sigma of 0.01
 C124-C123
 1.39 with sigma of 0.01
 C107-C39
 1.39 with sigma of 0.01
 C95-C84
 1.39 with sigma of 0.01
 C84-C47
 1.39 with sigma of 0.01
 C107-C46
 1.39 with sigma of 0.01
 C140-C50
 1.39 with sigma of 0.02
 C46-C140
 1.39 with sigma of 0.02
 C47-C48
 1.39 with sigma of 0.02
 C48-C49
 1.39 with sigma of 0.02
 C46-C47
 1.39 with sigma of 0.02
 C101-C100
 1.39 with sigma of 0.02
 C85-C101
 1.39 with sigma of 0.02
 C53-C85
 1.39 with sigma of 0.02
 C30-C102
 1.39 with sigma of 0.02
 C99-C55
 1.39 with sigma of 0.02
 C99-C106
 1.39 with sigma of 0.02
 C106-C111
 1.39 with sigma of 0.02
 C111-C53
 1.39 with sigma of 0.02
 C108-C109
 1.39 with sigma of 0.02
 C131-C145
 1.39 with sigma of 0.02
 C143-C144
 1.39 with sigma of 0.02
 C129-C143
 1.39 with sigma of 0.02
 C94-C52
 1.39 with sigma of 0.02
 C94-C60
 1.39 with sigma of 0.02
 C60-C141
 1.39 with sigma of 0.02
 C137-C132
 1.39 with sigma of 0.02
 C141-C142
 1.39 with sigma of 0.02
 C52-C113
 1.39 with sigma of 0.02
 C113-C142
 1.39 with sigma of 0.02
 C60-C94
 1.39 with sigma of 0.02
 C145-C144
 1.39 with sigma of 0.01
 C130-C131
 1.39 with sigma of 0.01
 C130-C129
 1.39 with sigma of 0.01
 C41-C27
 1.39 with sigma of 0.01
 C27-C18
 1.39 with sigma of 0.01
 C18-C17
 1.39 with sigma of 0.01
 C38-C103
 1.39 with sigma of 0.01
 C81-C103
 1.39 with sigma of 0.01
 C81-C44
 1.39 with sigma of 0.01
 C132-C133
 1.39 with sigma of 0.02
 C137-C136
 1.39 with sigma of 0.02
 C133-C134
 1.39 with sigma of 0.02
 C136-C135
 1.39 with sigma of 0.02
 C112-C29
 1.39 with sigma of 0.02
 C59-C51
 1.39 with sigma of 0.02
 C65-C66
 1.39 with sigma of 0.02
 C66-C67
 1.39 with sigma of 0.02
 C68-C67
 1.39 with sigma of 0.02
 C69-C68
 1.39 with sigma of 0.02
 C69-C64
 1.39 with sigma of 0.02
 O6-C146
 1.3 with sigma of 0.01
 O7-C146
 1.35 with sigma of 0.01
 O5-C146
 1.3 with sigma of 0.01
 C45-C58
 1.39 with sigma of 0.01
 C58-C139
 1.39 with sigma of 0.02
 C104-C114
 1.39 with sigma of 0.01
 C138-C114
 1.39 with sigma of 0.01
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.008 within 1.7A
3.a Riding coordinates:
 O3(H3), O7(H7A), O9(H9A)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C28(H28), C34(H34), C35(H35), C37(H37), C38(H38), C39(H39),
 C42(H42), C43(H43), C44(H44), C48(H48), C49(H49), C50(H50), C52(H52), C56(H56),
  C57(H57), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68),
 C69(H69), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78),
  C79(H79), C80(H80), C81(H81), C82(H82), C83(H83), C85(H85), C87(H87),
 C88(H88), C89(H89), C90(H90), C91(H91), C93(H93), C94(H94), C96(H96), C97(H97),
  C98(H98), C100(H100), C101(H101), C102(H102), C103(H103), C104(H104),
 C105(H105), C106(H106), C107(H107), C108(H108), C109(H109), C110(H110),
 C111(H111), C112(H112), C113(H113), C114(H114), C115(H115), C116(H116),
 C118(H118), C119(H119), C120(H120), C121(H121), C124(H124), C125(H125),
 C126(H126), C127(H127), C128(H128), C131(H131), C132(H132), C133(H133),
 C134(H134), C135(H135), C136(H136), C138(H138), C139(H139), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144), C145(H145), C148(H148)
3.c Fitted hexagon refined as free rotating group:
 C5(C6,C7,C8,C9,C10), C21(C22,C23,C24,C25,C26), C64(C65,C66,C67,C68,C69),
 C71(C72,C73,C74,C75,C76), C87(C88,C89,C90,C91,C92), C115(C116,C117,C118,C119,
 C120), C132(C133,C134,C135,C136,C137)
3.d Tetrahedral OH refined with riding coordinates:
 O2(H2)
;
_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 4.231
_oxdiff_exptl_absorpt_empirical_full_min 0.518
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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 0.75702(6) 0.54776(4) 0.31100(4) 0.0528(3) Uani 1 1 d . . . . .
Au2 Au 0.79422(6) 0.64244(3) 0.34394(3) 0.0493(3) Uani 1 1 d . . . . .
Au3 Au 0.71570(7) 0.72064(4) 0.36512(4) 0.0620(3) Uani 1 1 d . . . . .
Au4 Au 0.67456(6) 0.66105(4) 0.30001(5) 0.0580(3) Uani 1 1 d . . . . .
Au5 Au 0.79451(6) 0.72670(3) 0.28775(3) 0.0464(2) Uani 1 1 d . . . . .
Au6 Au 0.79015(6) 0.64672(4) 0.24123(3) 0.0466(2) Uani 1 1 d . . . . .
Au7 Au 0.65327(6) 0.65139(4) 0.19117(5) 0.0612(3) Uani 1 1 d . . . . .
Au8 Au 0.75825(6) 0.73118(4) 0.20490(4) 0.0525(3) Uani 1 1 d . . . . .
S1 S 0.7879(3) 0.56147(18) 0.2400(2) 0.0439(12) Uani 1 1 d . . . . .
S2 S 0.5758(4) 0.6562(3) 0.2514(3) 0.070(2) Uani 1 1 d . . . . .
P1 P 0.7052(5) 0.5340(3) 0.3755(3) 0.077(2) Uani 1 1 d . . . . .
P2 P 0.9004(4) 0.6107(2) 0.3729(2) 0.0535(16) Uani 1 1 d . . . . .
P3 P 0.6614(6) 0.7819(3) 0.4017(3) 0.079(3) Uani 1 1 d . . . . .
P4 P 0.8422(4) 0.7966(2) 0.3146(2) 0.0509(15) Uani 1 1 d . . . . .
P5 P 0.7139(5) 0.7886(2) 0.1585(3) 0.0627(19) Uani 1 1 d . . . . .
P6 P 0.7119(5) 0.6387(3) 0.1280(3) 0.070(2) Uani 1 1 d . . . . .
O1 O 0.7728(9) 0.4578(6) 0.2500(7) 0.061(4) Uani 1 1 d . U . . .
O2 O 0.8296(11) 0.4107(7) 0.2014(8) 0.076(4) Uani 1 1 d . U . . .
H2 H 0.828901 0.386465 0.216419 0.114 Uiso 1 1 calc R U . . .
O3 O 0.3706(14) 0.6153(8) 0.3036(13) 0.122(7) Uani 1 1 d . U . . .
H3 H 0.339152 0.637127 0.309599 0.146 Uiso 1 1 d R U . . .
O4 O 0.4105(14) 0.6590(8) 0.2523(12) 0.112(7) Uani 1 1 d . U . . .
C1 C 0.816(2) 0.8281(14) 0.4022(12) 0.092(4) Uani 1 1 d . U . . .
C2 C 0.9749(14) 0.6419(10) 0.3474(9) 0.052(3) Uani 1 1 d . U . . .
C3 C 0.9704(13) 0.6504(10) 0.3031(9) 0.052(3) Uani 1 1 d . U . . .
H3A H 0.931219 0.638259 0.287889 0.063 Uiso 1 1 calc R U . . .
C4 C 0.9618(18) 0.4878(9) 0.3126(11) 0.065(3) Uani 1 1 d . U . . .
H4 H 0.990784 0.480714 0.289098 0.078 Uiso 1 1 calc R U . . .
C5 C 0.8623(14) 0.6429(8) 0.4536(7) 0.102(7) Uani 1 1 d G U . . .
H5 H 0.822018 0.656423 0.440400 0.122 Uiso 1 1 calc R U . . .
C6 C 0.8709(14) 0.6468(8) 0.4977(7) 0.104(7) Uani 1 1 d G U . . .
H6 H 0.836341 0.662928 0.513967 0.124 Uiso 1 1 calc R U . . .
C7 C 0.9311(16) 0.6266(8) 0.5175(5) 0.104(7) Uani 1 1 d G U . . .
H7 H 0.936828 0.629196 0.546967 0.125 Uiso 1 1 calc R U . . .
C8 C 0.9827(14) 0.6025(8) 0.4932(7) 0.104(7) Uani 1 1 d G U . . .
H8 H 1.022994 0.588960 0.506401 0.125 Uiso 1 1 calc R U . . .
C9 C 0.9741(14) 0.5986(8) 0.4491(7) 0.103(7) Uani 1 1 d G U . . .
H9 H 1.008672 0.582455 0.432834 0.123 Uiso 1 1 calc R U . . .
C10 C 0.9139(16) 0.6188(8) 0.4293(5) 0.102(7) Uani 1 1 d G U . . .
C11 C 0.414(2) 0.6221(13) 0.272(2) 0.113(6) Uani 1 1 d . U . . .
C12 C 0.8845(15) 0.4850(11) 0.2169(11) 0.064(3) Uani 1 1 d . U . . .
C13 C 0.9351(16) 0.8019(10) 0.2977(11) 0.064(4) Uani 1 1 d . U . . .
C14 C 0.932(2) 0.7220(13) 0.1196(11) 0.081(3) Uani 1 1 d . U . . .
C15 C 1.0244(13) 0.6773(9) 0.2809(9) 0.051(3) Uani 1 1 d . U . . .
H15 H 1.018162 0.686392 0.252522 0.062 Uiso 1 1 calc R U . . .
C16 C 0.923(2) 0.7603(15) 0.4295(12) 0.092(4) Uani 1 1 d . U . . .
H16 H 0.955452 0.737373 0.439938 0.111 Uiso 1 1 calc R U . . .
C17 C 0.8408(19) 0.3794(7) 0.3699(10) 0.069(3) Uani 1 1 d D U . . .
H17 H 0.815770 0.354658 0.383449 0.082 Uiso 1 1 calc R U . . .
C18 C 0.8363(17) 0.4259(7) 0.3865(9) 0.068(3) Uani 1 1 d D U . . .
H18 H 0.807851 0.432992 0.410198 0.081 Uiso 1 1 calc R U . . .
C19 C 0.9482(17) 0.7843(11) 0.2545(10) 0.063(4) Uani 1 1 d . U . . .
H19 H 0.912104 0.770622 0.237685 0.075 Uiso 1 1 calc R U . . .
C20 C 0.8387(18) 0.8911(10) 0.2865(10) 0.065(4) Uani 1 1 d . U . . .
H20 H 0.887986 0.892104 0.292551 0.078 Uiso 1 1 calc R U . . .
C21 C 0.7735(11) 0.8710(7) 0.1157(7) 0.077(4) Uani 1 1 d G U . . .
H21 H 0.737049 0.866511 0.095509 0.092 Uiso 1 1 calc R U . . .
C22 C 0.8212(12) 0.9095(7) 0.1117(6) 0.078(4) Uani 1 1 d G U . . .
H22 H 0.816700 0.930809 0.088875 0.094 Uiso 1 1 calc R U . . .
C23 C 0.8756(11) 0.9161(6) 0.1419(7) 0.077(4) Uani 1 1 d G U . . .
H23 H 0.907523 0.941910 0.139217 0.092 Uiso 1 1 calc R U . . .
C24 C 0.8823(11) 0.8843(7) 0.1760(7) 0.076(4) Uani 1 1 d G U . . .
H24 H 0.918695 0.888714 0.196193 0.091 Uiso 1 1 calc R U . . .
C25 C 0.8346(12) 0.8457(6) 0.1800(6) 0.075(4) Uani 1 1 d G U . . .
H25 H 0.839045 0.824415 0.202828 0.090 Uiso 1 1 calc R U . . .
C26 C 0.7802(11) 0.8391(6) 0.1498(7) 0.076(4) Uani 1 1 d G U . . .
C27 C 0.8767(16) 0.4611(8) 0.3657(9) 0.067(3) Uani 1 1 d D U . . .
C28 C 0.9870(16) 0.8248(11) 0.3185(11) 0.064(4) Uani 1 1 d . U . . .
H28 H 0.976587 0.838450 0.344971 0.077 Uiso 1 1 calc R U . . .
C29 C 0.872(2) 0.7423(11) 0.1013(11) 0.082(3) Uani 1 1 d D U . . .
C30 C 0.774(2) 0.9116(14) 0.3855(12) 0.095(4) Uani 1 1 d D U . . .
C31 C 0.8731(15) 0.5358(11) 0.2249(11) 0.062(3) Uani 1 1 d . U . . .
C32 C 0.7955(17) 0.8499(10) 0.2943(10) 0.065(4) Uani 1 1 d . U . . .
C33 C 0.7610(16) 0.5360(10) 0.4241(9) 0.078(4) Uani 1 1 d D U . . .
C34 C 1.0822(14) 0.6885(9) 0.3017(9) 0.053(3) Uani 1 1 d . U . . .
H34 H 1.121375 0.700766 0.286507 0.063 Uiso 1 1 calc R U . . .
C35 C 0.924(2) 0.6776(12) 0.1428(11) 0.080(4) Uani 1 1 d . U . . .
H35 H 0.962975 0.664163 0.157033 0.096 Uiso 1 1 calc R U . . .
C36 C 0.802(2) 0.7187(12) 0.1008(11) 0.082(3) Uani 1 1 d . U . . .
C37 C 1.0733(17) 0.8116(11) 0.2652(10) 0.064(4) Uani 1 1 d . U . . .
H37 H 1.120765 0.813584 0.255395 0.076 Uiso 1 1 calc R U . . .
C38 C 0.9466(12) 0.4697(10) 0.2022(11) 0.064(3) Uani 1 1 d D U . . .
H38 H 0.951660 0.437323 0.194985 0.077 Uiso 1 1 calc R U . . .
C39 C 0.628(2) 0.7910(13) 0.0843(9) 0.088(4) Uani 1 1 d D U . . .
H39 H 0.595238 0.808527 0.100552 0.106 Uiso 1 1 calc R U . . .
C40 C 0.8212(16) 0.4502(11) 0.2263(11) 0.065(3) Uani 1 1 d . U . . .
C41 C 0.9210(17) 0.4512(10) 0.3308(9) 0.066(3) Uani 1 1 d D U . . .
C42 C 0.9197(18) 0.4041(9) 0.3130(11) 0.068(3) Uani 1 1 d . U . . .
H42 H 0.944279 0.397424 0.287654 0.081 Uiso 1 1 calc R U . . .
C43 C 1.0211(16) 0.7899(11) 0.2401(11) 0.063(4) Uani 1 1 d . U . . .
H43 H 1.033758 0.778499 0.213103 0.076 Uiso 1 1 calc R U . . .
C44 C 0.9322(12) 0.5687(11) 0.2196(10) 0.062(3) Uani 1 1 d D U . . .
H44 H 0.926955 0.601608 0.224700 0.075 Uiso 1 1 calc R U . . .
C45 C 0.5433(16) 0.5938(13) 0.2567(19) 0.112(6) Uani 1 1 d D U . . .
C46 C 0.6664(19) 0.7568(12) 0.0179(10) 0.090(4) Uani 1 1 d D U . . .
C47 C 0.7255(18) 0.7357(12) 0.0370(9) 0.089(3) Uani 1 1 d D U . . .
C48 C 0.775(2) 0.7125(12) 0.0102(9) 0.091(4) Uani 1 1 d D U . . .
H48 H 0.817300 0.699995 0.021790 0.109 Uiso 1 1 calc R U . . .
C49 C 0.762(3) 0.7077(13) -0.0330(10) 0.092(4) Uani 1 1 d D U . . .
H49 H 0.794878 0.691645 -0.050623 0.111 Uiso 1 1 calc R U . . .
C50 C 0.696(2) 0.7284(12) -0.0503(12) 0.092(4) Uani 1 1 d D U . . .
H50 H 0.685301 0.723655 -0.079041 0.111 Uiso 1 1 calc R U . . .
C51 C 0.8715(18) 0.5107(10) 0.3833(9) 0.070(3) Uani 1 1 d D U . . .
C52 C 0.647(2) 0.3971(13) 0.3460(14) 0.107(7) Uani 1 1 d D U . . .
H52 H 0.652717 0.376366 0.322874 0.129 Uiso 1 1 calc R U . . .
C53 C 0.716(2) 0.9442(11) 0.3746(13) 0.096(4) Uani 1 1 d D U . . .
C54 C 0.852(2) 0.7971(14) 0.3735(13) 0.092(4) Uani 1 1 d . U . . .
C55 C 0.760(2) 0.8578(14) 0.3903(12) 0.093(4) Uani 1 1 d D U . . .
C56 C 0.7226(17) 0.8474(11) 0.2832(10) 0.067(4) Uani 1 1 d . U . . .
H56 H 0.693838 0.820163 0.286708 0.081 Uiso 1 1 calc R U . . .
C57 C 1.0884(14) 0.6832(10) 0.3449(9) 0.053(3) Uani 1 1 d . U . . .
H57 H 1.128631 0.695370 0.359223 0.064 Uiso 1 1 calc R U . . .
C58 C 0.4717(16) 0.5852(10) 0.2682(19) 0.113(5) Uani 1 1 d D U . . .
C59 C 0.8333(16) 0.5215(10) 0.4222(8) 0.077(3) Uani 1 1 d D U . . .
C60 C 0.665(2) 0.4741(15) 0.3779(13) 0.107(7) Uani 1 1 d D U . . .
C61 C 0.744(2) 0.5769(11) 0.1229(11) 0.076(4) Uani 1 1 d . U . . .
C62 C 0.8817(19) 0.3687(10) 0.3336(11) 0.069(3) Uani 1 1 d . U . . .
H62 H 0.883053 0.337182 0.323322 0.083 Uiso 1 1 calc R U . . .
C63 C 0.802(2) 0.5635(12) 0.1013(11) 0.078(4) Uani 1 1 d . U . . .
H63 H 0.829922 0.587247 0.088180 0.093 Uiso 1 1 calc R U . . .
C64 C 0.4232(11) 0.7605(9) 0.3675(9) 0.098(6) Uani 1 1 d DG U . . .
H64 H 0.374944 0.755219 0.360361 0.118 Uiso 1 1 calc R U . . .
C65 C 0.4412(13) 0.7759(9) 0.4085(8) 0.098(6) Uani 1 1 d DG U . . .
H65 H 0.405113 0.780997 0.428740 0.118 Uiso 1 1 calc R U . . .
C66 C 0.5133(14) 0.7838(9) 0.4192(7) 0.098(6) Uani 1 1 d DG U . . .
H66 H 0.525400 0.794109 0.446626 0.117 Uiso 1 1 calc R U . . .
C67 C 0.5673(11) 0.7762(9) 0.3890(9) 0.097(6) Uani 1 1 d DG U . . .
C68 C 0.5492(13) 0.7607(9) 0.3480(8) 0.098(6) Uani 1 1 d DG U . . .
H68 H 0.585351 0.755663 0.327754 0.117 Uiso 1 1 calc R U . . .
C69 C 0.4772(15) 0.7529(8) 0.3373(7) 0.099(6) Uani 1 1 d DG U . . .
H69 H 0.465064 0.742552 0.309867 0.118 Uiso 1 1 calc R U . . .
C70 C 0.794(2) 0.6762(12) 0.1201(10) 0.078(4) Uani 1 1 d . U . . .
C71 C 0.6308(10) 0.8171(7) 0.1815(8) 0.083(5) Uani 1 1 d G U . . .
C72 C 0.6086(11) 0.8626(7) 0.1680(7) 0.082(5) Uani 1 1 d G U . . .
H72 H 0.635213 0.879053 0.147355 0.099 Uiso 1 1 calc R U . . .
C73 C 0.5468(11) 0.8835(6) 0.1853(8) 0.083(5) Uani 1 1 d G U . . .
H73 H 0.532017 0.913881 0.176283 0.099 Uiso 1 1 calc R U . . .
C74 C 0.5071(10) 0.8589(7) 0.2162(8) 0.083(5) Uani 1 1 d G U . . .
H74 H 0.465726 0.872836 0.227799 0.100 Uiso 1 1 calc R U . . .
C75 C 0.5292(11) 0.8134(7) 0.2297(7) 0.083(5) Uani 1 1 d G U . . .
H75 H 0.502630 0.796963 0.250386 0.100 Uiso 1 1 calc R U . . .
C76 C 0.5910(11) 0.7925(6) 0.2124(8) 0.083(5) Uani 1 1 d G U . . .
H76 H 0.605825 0.762134 0.221458 0.100 Uiso 1 1 calc R U . . .
C77 C 0.8020(18) 0.9293(11) 0.2694(10) 0.068(4) Uani 1 1 d . U . . .
H77 H 0.829915 0.956430 0.263514 0.081 Uiso 1 1 calc R U . . .
C78 C 1.0570(16) 0.8292(11) 0.3020(11) 0.065(4) Uani 1 1 d . U . . .
H78 H 1.092216 0.845144 0.317947 0.078 Uiso 1 1 calc R U . . .
C79 C 0.7308(18) 0.9333(12) 0.2599(10) 0.069(4) Uani 1 1 d . U . . .
H79 H 0.708462 0.961437 0.250590 0.082 Uiso 1 1 calc R U . . .
C80 C 1.0329(14) 0.6587(10) 0.3680(9) 0.055(3) Uani 1 1 d . U . . .
H80 H 1.036992 0.654585 0.397453 0.066 Uiso 1 1 calc R U . . .
C81 C 0.9976(12) 0.5491(8) 0.2065(10) 0.064(3) Uani 1 1 d D U . . .
H81 H 1.037706 0.569181 0.204043 0.077 Uiso 1 1 calc R U . . .
C82 C 0.6974(19) 0.8919(11) 0.2657(10) 0.069(4) Uani 1 1 d . U . . .
H82 H 0.649353 0.891521 0.256825 0.083 Uiso 1 1 calc R U . . .
C83 C 0.909(2) 0.7610(14) 0.3878(12) 0.091(4) Uani 1 1 d . U . . .
H83 H 0.932231 0.740582 0.368636 0.110 Uiso 1 1 calc R U . . .
C84 C 0.739(2) 0.7419(12) 0.0804(8) 0.086(3) Uani 1 1 d D U . . .
C85 C 0.728(2) 0.9928(11) 0.3665(12) 0.097(4) Uani 1 1 d D U . . .
H85 H 0.690030 1.013261 0.358939 0.117 Uiso 1 1 calc R U . . .
C86 C 0.9137(19) 0.5466(10) 0.3614(10) 0.066(3) Uani 1 1 d . U . . .
C87 C 0.6721(12) 0.6258(8) 0.0422(8) 0.090(5) Uani 1 1 d G U . . .
H87 H 0.716679 0.610626 0.039112 0.108 Uiso 1 1 calc R U . . .
C88 C 0.6239(15) 0.6273(8) 0.0081(6) 0.092(5) Uani 1 1 d G U . . .
H88 H 0.636253 0.613117 -0.017890 0.111 Uiso 1 1 calc R U . . .
C89 C 0.5573(13) 0.6500(9) 0.0128(7) 0.093(5) Uani 1 1 d G U . . .
H89 H 0.525014 0.650957 -0.010074 0.111 Uiso 1 1 calc R U . . .
C90 C 0.5388(12) 0.6711(8) 0.0516(8) 0.093(5) Uani 1 1 d G U . . .
H90 H 0.494198 0.686308 0.054744 0.111 Uiso 1 1 calc R U . . .
C91 C 0.5870(15) 0.6696(8) 0.0858(6) 0.091(5) Uani 1 1 d G U . . .
H91 H 0.574624 0.683818 0.111747 0.110 Uiso 1 1 calc R U . . .
C92 C 0.6536(13) 0.6470(9) 0.0811(7) 0.089(5) Uani 1 1 d G U . . .
C93 C 0.9609(18) 0.5331(9) 0.3279(10) 0.064(3) Uani 1 1 d . U . . .
H93 H 0.991974 0.556005 0.316207 0.077 Uiso 1 1 calc R U . . .
C94 C 0.674(2) 0.4432(12) 0.3434(15) 0.107(7) Uani 1 1 d D U . . .
H94 H 0.698457 0.453501 0.319011 0.128 Uiso 1 1 calc R U . . .
C95 C 0.694(2) 0.7714(12) 0.1044(11) 0.087(4) Uani 1 1 d D U . . .
C96 C 0.732(2) 0.4957(12) 0.1443(11) 0.078(4) Uani 1 1 d . U . . .
H96 H 0.709747 0.471562 0.160080 0.093 Uiso 1 1 calc R U . . .
C97 C 0.858(2) 0.6553(12) 0.1441(11) 0.077(4) Uani 1 1 d . U . . .
H97 H 0.852526 0.627024 0.159720 0.093 Uiso 1 1 calc R U . . .
C98 C 0.823(2) 0.5160(12) 0.0973(11) 0.079(4) Uani 1 1 d . U . . .
H98 H 0.862347 0.507800 0.079863 0.095 Uiso 1 1 calc R U . . .
C99 C 0.6877(18) 0.8436(12) 0.3895(12) 0.093(4) Uani 1 1 d D U . . .
C100 C 0.854(2) 0.9805(13) 0.3858(12) 0.096(4) Uani 1 1 d D U . . .
H100 H 0.898713 0.994290 0.392928 0.116 Uiso 1 1 calc R U . . .
C101 C 0.7981(19) 1.0094(13) 0.3702(12) 0.097(4) Uani 1 1 d D U . . .
H101 H 0.808330 1.040902 0.362006 0.116 Uiso 1 1 calc R U . . .
C102 C 0.843(2) 0.9306(14) 0.3905(13) 0.096(4) Uani 1 1 d D U . . .
H102 H 0.882253 0.910395 0.396790 0.116 Uiso 1 1 calc R U . . .
C103 C 1.0051(13) 0.5005(7) 0.1969(10) 0.065(3) Uani 1 1 d D U . . .
H103 H 1.049126 0.488638 0.186981 0.078 Uiso 1 1 calc R U . . .
C104 C 0.587(2) 0.5552(9) 0.2460(19) 0.113(6) Uani 1 1 d D U . . .
H104 H 0.631828 0.561690 0.234182 0.135 Uiso 1 1 calc R U . . .
C105 C 0.788(2) 0.4826(12) 0.1186(11) 0.078(4) Uani 1 1 d . U . . .
H105 H 0.801167 0.450279 0.116021 0.094 Uiso 1 1 calc R U . . .
C106 C 0.634(2) 0.8779(10) 0.3796(12) 0.094(4) Uani 1 1 d D U . . .
H106 H 0.587278 0.866677 0.376561 0.113 Uiso 1 1 calc R U . . .
C107 C 0.616(2) 0.7833(12) 0.0411(9) 0.090(4) Uani 1 1 d D U . . .
H107 H 0.574814 0.795668 0.027849 0.108 Uiso 1 1 calc R U . . .
C108 C 0.941(2) 0.8125(13) 0.0775(11) 0.084(4) Uani 1 1 d D U . . .
H108 H 0.943213 0.842478 0.064128 0.100 Uiso 1 1 calc R U . . .
C109 C 0.999(2) 0.7922(12) 0.0985(11) 0.084(4) Uani 1 1 d D U . . .
H109 H 1.041499 0.810206 0.097806 0.100 Uiso 1 1 calc R U . . .
C110 C 1.003(2) 0.7496(12) 0.1202(12) 0.083(4) Uani 1 1 d . U . . .
H110 H 1.044936 0.738669 0.133723 0.099 Uiso 1 1 calc R U . . .
C111 C 0.646(2) 0.9272(11) 0.3739(13) 0.095(4) Uani 1 1 d D U . . .
H111 H 0.606881 0.948122 0.369658 0.114 Uiso 1 1 calc R U . . .
C112 C 0.881(2) 0.7865(11) 0.0778(11) 0.083(4) Uani 1 1 d D U . . .
H112 H 0.842082 0.797426 0.061696 0.099 Uiso 1 1 calc R U . . .
C113 C 0.610(2) 0.3808(16) 0.3820(13) 0.108(7) Uani 1 1 d D U . . .
H113 H 0.594482 0.348983 0.383994 0.130 Uiso 1 1 calc R U . . .
C114 C 0.5675(16) 0.5072(10) 0.2518(19) 0.114(6) Uani 1 1 d D U . . .
H114 H 0.601459 0.482445 0.252899 0.136 Uiso 1 1 calc R U . . .
C115 C 0.6576(18) 0.8241(8) 0.5303(8) 0.116(7) Uani 1 1 d G U . . .
H115 H 0.637447 0.849479 0.545670 0.139 Uiso 1 1 calc R U . . .
C116 C 0.6435(17) 0.8195(9) 0.4868(8) 0.115(7) Uani 1 1 d G U . . .
H116 H 0.613822 0.841761 0.473041 0.138 Uiso 1 1 calc R U . . .
C117 C 0.6737(19) 0.7816(10) 0.4637(7) 0.114(7) Uani 1 1 d G U . . .
C118 C 0.7180(18) 0.7483(8) 0.4842(8) 0.115(7) Uani 1 1 d G U . . .
H118 H 0.738231 0.722898 0.468824 0.139 Uiso 1 1 calc R U . . .
C119 C 0.7322(16) 0.7529(9) 0.5277(8) 0.116(7) Uani 1 1 d G U . . .
H119 H 0.761856 0.730615 0.541453 0.139 Uiso 1 1 calc R U . . .
C120 C 0.7020(19) 0.7908(9) 0.5508(7) 0.116(7) Uani 1 1 d G U . . .
H120 H 0.711465 0.793906 0.579876 0.140 Uiso 1 1 calc R U . . .
C121 C 0.9361(17) 0.4890(11) 0.4630(12) 0.087(4) Uani 1 1 d D U . . .
H121 H 0.953518 0.483094 0.435573 0.104 Uiso 1 1 calc R U . . .
C122 C 0.8683(16) 0.5106(11) 0.4606(8) 0.084(3) Uani 1 1 d D U . . .
C123 C 0.8419(17) 0.5167(11) 0.5018(8) 0.086(3) Uani 1 1 d D U . . .
C124 C 0.8805(18) 0.5032(11) 0.5382(11) 0.090(4) Uani 1 1 d D U . . .
H124 H 0.861506 0.506169 0.565690 0.108 Uiso 1 1 calc R U . . .
C125 C 0.9494(19) 0.4850(12) 0.5306(12) 0.090(4) Uani 1 1 d D U . . .
H125 H 0.976160 0.479601 0.555326 0.108 Uiso 1 1 calc R U . . .
C126 C 0.9862(18) 0.4732(12) 0.4931(9) 0.090(4) Uani 1 1 d D U . . .
H126 H 1.031331 0.459001 0.489315 0.107 Uiso 1 1 calc R U . . .
C127 C 0.7284(18) 0.5385(11) 0.4644(8) 0.082(4) Uani 1 1 d D U . . .
H127 H 0.679124 0.544911 0.466897 0.098 Uiso 1 1 calc R U . . .
C128 C 0.7702(16) 0.5312(11) 0.5008(10) 0.086(4) Uani 1 1 d D U . . .
H128 H 0.747867 0.536656 0.527004 0.103 Uiso 1 1 calc R U . . .
C129 C 0.891(2) 0.7934(14) 0.4588(11) 0.094(4) Uani 1 1 d D U . . .
C130 C 0.837(2) 0.8263(12) 0.4483(11) 0.094(4) Uani 1 1 d D U . . .
C131 C 0.805(2) 0.8562(13) 0.4788(10) 0.097(4) Uani 1 1 d D U . . .
H131 H 0.765450 0.876059 0.473646 0.116 Uiso 1 1 calc R U . . .
C132 C 0.6616(13) 0.6200(11) 0.4212(10) 0.114(7) Uani 1 1 d DG U . . .
H132 H 0.706207 0.621072 0.434923 0.136 Uiso 1 1 calc R U . . .
C133 C 0.6110(17) 0.6562(9) 0.4281(9) 0.113(7) Uani 1 1 d DG U . . .
H133 H 0.621704 0.681595 0.446593 0.136 Uiso 1 1 calc R U . . .
C134 C 0.5443(15) 0.6546(9) 0.4076(10) 0.112(7) Uani 1 1 d DG U . . .
H134 H 0.510442 0.678871 0.412236 0.135 Uiso 1 1 calc R U . . .
C135 C 0.5283(13) 0.6167(11) 0.3800(10) 0.112(7) Uani 1 1 d DG U . . .
H135 H 0.483681 0.615623 0.366210 0.134 Uiso 1 1 calc R U . . .
C136 C 0.5789(17) 0.5805(9) 0.3730(9) 0.113(7) Uani 1 1 d DG U . . .
H136 H 0.568183 0.555100 0.354540 0.135 Uiso 1 1 calc R U . . .
C137 C 0.6456(15) 0.5821(9) 0.3936(10) 0.113(7) Uani 1 1 d DG U . . .
C138 C 0.4936(16) 0.4988(13) 0.2557(19) 0.114(6) Uani 1 1 d D U . . .
H138 H 0.475691 0.467515 0.253814 0.137 Uiso 1 1 calc R U . . .
C139 C 0.445(2) 0.5386(10) 0.2628(18) 0.114(6) Uani 1 1 d D U . . .
H139 H 0.394882 0.533238 0.263692 0.136 Uiso 1 1 calc R U . . .
C140 C 0.651(2) 0.7546(13) -0.0252(10) 0.092(4) Uani 1 1 d D U . . .
H140 H 0.610511 0.770314 -0.036692 0.110 Uiso 1 1 calc R U . . .
C141 C 0.626(2) 0.4594(13) 0.4141(14) 0.108(7) Uani 1 1 d D U . . .
H141 H 0.618740 0.480270 0.437095 0.130 Uiso 1 1 calc R U . . .
C142 C 0.599(2) 0.4133(13) 0.4147(15) 0.109(7) Uani 1 1 d D U . . .
H142 H 0.571132 0.403608 0.438123 0.131 Uiso 1 1 calc R U . . .
C143 C 0.920(2) 0.7922(14) 0.4997(10) 0.097(4) Uani 1 1 d D U . . .
H143 H 0.958587 0.771503 0.505444 0.116 Uiso 1 1 calc R U . . .
C144 C 0.894(2) 0.8205(13) 0.5319(11) 0.099(4) Uani 1 1 d D U . . .
H144 H 0.909845 0.818858 0.560061 0.119 Uiso 1 1 calc R U . . .
C145 C 0.840(2) 0.8522(14) 0.5180(11) 0.098(4) Uani 1 1 d D U . . .
H145 H 0.825529 0.874587 0.538428 0.118 Uiso 1 1 calc R U . . .
C148 C 0.707(2) 0.5423(11) 0.1488(11) 0.075(4) Uani 1 1 d . U . . .
H148 H 0.668631 0.550356 0.166930 0.090 Uiso 1 1 calc R U . . .
O5 O 0.6841(12) 0.2248(9) 0.2203(10) 0.115(7) Uani 1 1 d D U . . .
O6 O 0.7219(12) 0.1799(9) 0.1626(11) 0.115(7) Uani 1 1 d D U . . .
O7 O 0.7663(12) 0.2564(9) 0.1709(12) 0.119(8) Uani 1 1 d D U . . .
H7A H 0.756079 0.284514 0.187855 0.178 Uiso 1 1 d R U . . .
C146 C 0.7249(18) 0.2191(10) 0.1862(11) 0.115(7) Uani 1 1 d D U . . .
O8 O 0.7538(12) 0.3372(9) 0.2231(13) 0.123(8) Uani 1 1 d . U . . .
O9 O 0.6647(13) 0.3964(9) 0.2484(14) 0.131(8) Uani 1 1 d . U . . .
H9A H 0.701348 0.413148 0.249128 0.197 Uiso 1 1 d R U . . .
O10 O 0.6374(14) 0.3150(9) 0.2438(15) 0.131(8) Uani 1 1 d . U . . .
C147 C 0.685(2) 0.3501(15) 0.237(2) 0.129(8) Uani 1 1 d . 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'
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'
S S 0.3331 0.5567 '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
S1 Au1 Au2 97.61(13) . . ?
P1 Au1 Au2 86.4(2) . . ?
P1 Au1 S1 169.2(3) . . ?
Au1 Au2 Au5 120.68(5) . . ?
Au1 Au2 Au6 70.94(4) . . ?
Au3 Au2 Au1 133.47(6) . . ?
Au3 Au2 Au5 60.33(4) . . ?
Au3 Au2 Au6 101.73(5) . . ?
Au4 Au2 Au1 78.16(4) . . ?
Au4 Au2 Au3 61.40(5) . . ?
Au4 Au2 Au5 62.31(4) . . ?
Au4 Au2 Au6 57.08(4) . . ?
Au5 Au2 Au6 50.97(3) . . ?
P2 Au2 Au1 89.76(16) . . ?
P2 Au2 Au3 131.45(17) . . ?
P2 Au2 Au4 167.13(17) . . ?
P2 Au2 Au5 122.17(17) . . ?
P2 Au2 Au6 114.87(18) . . ?
Au2 Au3 Au4 58.62(4) . . ?
Au2 Au3 Au5 63.88(4) . . ?
Au4 Au3 Au5 62.74(4) . . ?
P3 Au3 Au2 163.9(3) . . ?
P3 Au3 Au4 134.6(3) . . ?
P3 Au3 Au5 127.7(2) . . ?
Au2 Au4 Au3 59.98(4) . . ?
Au2 Au4 Au5 63.40(4) . . ?
Au2 Au4 Au6 71.40(4) . . ?
Au3 Au4 Au5 60.30(4) . . ?
Au3 Au4 Au6 110.89(5) . . ?
Au6 Au4 Au5 55.05(3) . . ?
S2 Au4 Au2 163.5(2) . . ?
S2 Au4 Au3 136.4(2) . . ?
S2 Au4 Au5 122.6(2) . . ?
S2 Au4 Au6 99.0(2) . . ?
Au3 Au5 Au2 55.79(4) . . ?
Au3 Au5 Au4 56.96(4) . . ?
Au4 Au5 Au2 54.29(4) . . ?
Au6 Au5 Au2 70.19(4) . . ?
Au6 Au5 Au3 113.79(5) . . ?
Au6 Au5 Au4 61.55(4) . . ?
Au6 Au5 Au8 60.08(4) . . ?
Au8 Au5 Au2 128.15(5) . . ?
Au8 Au5 Au3 134.48(6) . . ?
Au8 Au5 Au4 88.02(5) . . ?
P4 Au5 Au2 117.18(19) . . ?
P4 Au5 Au3 86.25(17) . . ?
P4 Au5 Au4 141.16(18) . . ?
P4 Au5 Au6 157.02(18) . . ?
P4 Au5 Au8 114.34(19) . . ?
Au4 Au6 Au2 51.53(4) . . ?
Au4 Au6 Au7 72.25(5) . . ?
Au5 Au6 Au2 58.84(4) . . ?
Au5 Au6 Au4 63.40(4) . . ?
Au5 Au6 Au7 106.10(5) . . ?
Au5 Au6 Au8 60.42(4) . . ?
Au7 Au6 Au2 123.12(5) . . ?
Au8 Au6 Au2 117.56(5) . . ?
Au8 Au6 Au4 89.21(5) . . ?
Au8 Au6 Au7 63.29(4) . . ?
S1 Au6 Au2 88.81(16) . . ?
S1 Au6 Au4 97.83(16) . . ?
S1 Au6 Au5 147.65(16) . . ?
S1 Au6 Au7 91.15(16) . . ?
S1 Au6 Au8 150.08(16) . . ?
Au8 Au7 Au6 53.28(3) . . ?
S2 Au7 Au6 95.7(2) . . ?
S2 Au7 Au8 103.79(19) . . ?
P6 Au7 Au6 92.6(2) . . ?
P6 Au7 Au8 86.0(2) . . ?
P6 Au7 S2 169.8(3) . . ?
Au5 Au8 Au7 105.57(5) . . ?
Au6 Au8 Au5 59.50(4) . . ?
Au6 Au8 Au7 63.44(4) . . ?
P5 Au8 Au5 136.8(2) . . ?
P5 Au8 Au6 162.34(19) . . ?
P5 Au8 Au7 101.03(18) . . ?
Au1 S1 Au6 98.8(2) . . ?
C31 S1 Au1 113.8(11) . . ?
C31 S1 Au6 112.7(10) . . ?
Au7 S2 Au4 92.7(3) . . ?
C45 S2 Au4 104.2(17) . . ?
C45 S2 Au7 102.5(15) . . ?
C33 P1 Au1 119.6(10) . . ?
C60 P1 Au1 111.4(13) . . ?
C60 P1 C33 102.9(17) . . ?
C137 P1 Au1 114.2(10) . . ?
C137 P1 C33 93.6(15) . . ?
C137 P1 C60 113.8(17) . . ?
C2 P2 Au2 106.9(9) . . ?
C2 P2 C86 106.0(15) . . ?
C10 P2 Au2 116.8(11) . . ?
C10 P2 C2 105.5(12) . . ?
C10 P2 C86 107.1(13) . . ?
C86 P2 Au2 113.8(11) . . ?
C67 P3 Au3 104.5(9) . . ?
C67 P3 C99 107.2(15) . . ?
C67 P3 C117 109.5(14) . . ?
C99 P3 Au3 118.6(11) . . ?
C99 P3 C117 100.4(15) . . ?
C117 P3 Au3 116.3(9) . . ?
C13 P4 Au5 109.2(10) . . ?
C13 P4 C32 106.4(14) . . ?
C13 P4 C54 101.2(18) . . ?
C32 P4 Au5 112.1(10) . . ?
C32 P4 C54 112.8(17) . . ?
C54 P4 Au5 114.3(12) . . ?
C26 P5 Au8 112.0(7) . . ?
C71 P5 Au8 110.0(8) . . ?
C71 P5 C26 106.0(10) . . ?
C95 P5 Au8 118.8(12) . . ?
C95 P5 C26 101.2(14) . . ?
C95 P5 C71 107.9(15) . . ?
C61 P6 Au7 112.1(12) . . ?
C61 P6 C70 104.6(17) . . ?
C61 P6 C92 103.8(14) . . ?
C70 P6 Au7 114.6(11) . . ?
C92 P6 Au7 113.2(10) . . ?
C92 P6 C70 107.7(14) . . ?
C40 O2 H2 109.5 . . ?
C11 O3 H3 119.1 . . ?
C54 C1 C130 118(4) . . ?
C55 C1 C54 123(4) . . ?
C55 C1 C130 119(3) . . ?
C3 C2 P2 118.0(19) . . ?
C80 C2 P2 124(2) . . ?
C80 C2 C3 118(2) . . ?
C2 C3 H3A 119.1 . . ?
C2 C3 C15 122(2) . . ?
C15 C3 H3A 119.1 . . ?
C41 C4 H4 118.9 . . ?
C93 C4 H4 118.9 . . ?
C93 C4 C41 122(3) . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C10 120.0 . . ?
C10 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C5 C10 P2 120.1(15) . . ?
C9 C10 P2 119.8(15) . . ?
C9 C10 C5 120.0 . . ?
O3 C11 C58 114(4) . . ?
O4 C11 O3 119(4) . . ?
O4 C11 C58 126(4) . . ?
C31 C12 C40 118(3) . . ?
C38 C12 C31 120(3) . . ?
C38 C12 C40 122(3) . . ?
C19 C13 P4 114(2) . . ?
C28 C13 P4 126(3) . . ?
C28 C13 C19 120(3) . . ?
C29 C14 C35 119(3) . . ?
C29 C14 C110 120(3) . . ?
C35 C14 C110 121(4) . . ?
C3 C15 H15 121.2 . . ?
C34 C15 C3 118(3) . . ?
C34 C15 H15 121.2 . . ?
C83 C16 H16 118.7 . . ?
C83 C16 C129 123(4) . . ?
C129 C16 H16 118.7 . . ?
C18 C17 H17 118.9 . . ?
C18 C17 C62 122(3) . . ?
C62 C17 H17 118.9 . . ?
C17 C18 H18 121.8 . . ?
C27 C18 C17 116(2) . . ?
C27 C18 H18 121.8 . . ?
C13 C19 H19 122.8 . . ?
C43 C19 C13 114(3) . . ?
C43 C19 H19 122.8 . . ?
C32 C20 H20 122.8 . . ?
C77 C20 H20 122.8 . . ?
C77 C20 C32 114(3) . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C26 120.0 . . ?
C26 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 P5 121.7(11) . . ?
C25 C26 P5 118.2(11) . . ?
C25 C26 C21 120.0 . . ?
C18 C27 C41 123(2) . . ?
C18 C27 C51 116(2) . . ?
C41 C27 C51 121(2) . . ?
C13 C28 H28 118.9 . . ?
C13 C28 C78 122(3) . . ?
C78 C28 H28 118.9 . . ?
C14 C29 C36 123(3) . . ?
C14 C29 C112 118(3) . . ?
C112 C29 C36 119(4) . . ?
C53 C30 C55 120(3) . . ?
C102 C30 C53 118(3) . . ?
C102 C30 C55 122(4) . . ?
C12 C31 S1 124(2) . . ?
C44 C31 S1 117(2) . . ?
C44 C31 C12 119(2) . . ?
C20 C32 P4 117(2) . . ?
C56 C32 P4 120(2) . . ?
C56 C32 C20 123(3) . . ?
C59 C33 P1 120(2) . . ?
C59 C33 C127 118(3) . . ?
C127 C33 P1 120(2) . . ?
C15 C34 H34 118.5 . . ?
C15 C34 C57 123(3) . . ?
C57 C34 H34 118.5 . . ?
C14 C35 H35 120.1 . . ?
C97 C35 C14 120(4) . . ?
C97 C35 H35 120.1 . . ?
C29 C36 C84 121(3) . . ?
C70 C36 C29 119(4) . . ?
C70 C36 C84 120(4) . . ?
C43 C37 H37 119.7 . . ?
C78 C37 H37 119.7 . . ?
C78 C37 C43 121(3) . . ?
C12 C38 H38 119.1 . . ?
C12 C38 C103 122(3) . . ?
C103 C38 H38 119.1 . . ?
C95 C39 H39 120.2 . . ?
C107 C39 H39 120.2 . . ?
C107 C39 C95 120(4) . . ?
O1 C40 O2 126(3) . . ?
O1 C40 C12 126(3) . . ?
O2 C40 C12 108(3) . . ?
C4 C41 C27 120(2) . . ?
C4 C41 C42 121(3) . . ?
C27 C41 C42 119(3) . . ?
C41 C42 H42 120.5 . . ?
C62 C42 C41 119(3) . . ?
C62 C42 H42 120.5 . . ?
C19 C43 H43 119.1 . . ?
C37 C43 C19 122(3) . . ?
C37 C43 H43 119.1 . . ?
C31 C44 H44 121.7 . . ?
C81 C44 C31 117(3) . . ?
C81 C44 H44 121.7 . . ?
C58 C45 S2 120(2) . . ?
C104 C45 S2 121(2) . . ?
C104 C45 C58 119(3) . . ?
C47 C46 C107 122(3) . . ?
C47 C46 C140 125(3) . . ?
C140 C46 C107 113(3) . . ?
C46 C47 C48 117(3) . . ?
C46 C47 C84 121(3) . . ?
C84 C47 C48 121(3) . . ?
C47 C48 H48 119.3 . . ?
C49 C48 C47 121(4) . . ?
C49 C48 H48 119.3 . . ?
C48 C49 H49 121.0 . . ?
C48 C49 C50 118(4) . . ?
C50 C49 H49 121.0 . . ?
C49 C50 H50 119.4 . . ?
C140 C50 C49 121(3) . . ?
C140 C50 H50 119.4 . . ?
C59 C51 C27 123(2) . . ?
C86 C51 C27 115(2) . . ?
C86 C51 C59 122(3) . . ?
C94 C52 H52 119.0 . . ?
C94 C52 C113 122(4) . . ?
C113 C52 H52 119.0 . . ?
C85 C53 C30 122(3) . . ?
C111 C53 C30 120(3) . . ?
C111 C53 C85 118(3) . . ?
C1 C54 P4 126(3) . . ?
C1 C54 C83 123(4) . . ?
C83 C54 P4 111(3) . . ?
C1 C55 C30 118(3) . . ?
C1 C55 C99 124(3) . . ?
C99 C55 C30 117(4) . . ?
C32 C56 H56 124.2 . . ?
C32 C56 C82 112(3) . . ?
C82 C56 H56 124.2 . . ?
C34 C57 H57 120.3 . . ?
C34 C57 C80 119(2) . . ?
C80 C57 H57 120.3 . . ?
C45 C58 C11 126(3) . . ?
C45 C58 C139 118(3) . . ?
C139 C58 C11 113(3) . . ?
C33 C59 C51 124(3) . . ?
C122 C59 C33 118(3) . . ?
C122 C59 C51 117(3) . . ?
C94 C60 P1 118(2) . . ?
C94 C60 C141 121(4) . . ?
C141 C60 P1 121(3) . . ?
C63 C61 P6 125(3) . . ?
C63 C61 C148 119(3) . . ?
C148 C61 P6 115(3) . . ?
C17 C62 H62 119.7 . . ?
C42 C62 C17 121(3) . . ?
C42 C62 H62 119.7 . . ?
C61 C63 H63 118.4 . . ?
C61 C63 C98 123(3) . . ?
C98 C63 H63 118.4 . . ?
C65 C64 H64 120.0 . . ?
C65 C64 C69 120.0 . . ?
C69 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C66 C67 P3 122.2(16) . . ?
C66 C67 C68 120.0 . . ?
C68 C67 P3 117.7(16) . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C64 C69 H69 120.0 . . ?
C68 C69 C64 120.0 . . ?
C68 C69 H69 120.0 . . ?
C36 C70 P6 130(3) . . ?
C36 C70 C97 118(3) . . ?
C97 C70 P6 111(2) . . ?
C72 C71 P5 120.5(12) . . ?
C72 C71 C76 120.0 . . ?
C76 C71 P5 119.5(12) . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 120.0 . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 120.0 . . ?
C75 C76 C71 120.0 . . ?
C75 C76 H76 120.0 . . ?
C20 C77 H77 115.4 . . ?
C79 C77 C20 129(3) . . ?
C79 C77 H77 115.4 . . ?
C28 C78 H78 119.6 . . ?
C37 C78 C28 121(3) . . ?
C37 C78 H78 119.6 . . ?
C77 C79 H79 124.6 . . ?
C82 C79 C77 111(3) . . ?
C82 C79 H79 124.6 . . ?
C2 C80 C57 120(3) . . ?
C2 C80 H80 120.0 . . ?
C57 C80 H80 120.0 . . ?
C44 C81 H81 118.9 . . ?
C103 C81 C44 122(3) . . ?
C103 C81 H81 118.9 . . ?
C56 C82 H82 114.6 . . ?
C79 C82 C56 131(3) . . ?
C79 C82 H82 114.6 . . ?
C16 C83 C54 116(4) . . ?
C16 C83 H83 122.1 . . ?
C54 C83 H83 122.1 . . ?
C47 C84 C36 121(3) . . ?
C95 C84 C36 120(3) . . ?
C95 C84 C47 119(3) . . ?
C53 C85 H85 121.5 . . ?
C101 C85 C53 117(4) . . ?
C101 C85 H85 121.5 . . ?
C51 C86 P2 120(2) . . ?
C93 C86 P2 119(2) . . ?
C93 C86 C51 120(3) . . ?
C88 C87 H87 120.0 . . ?
C88 C87 C92 120.0 . . ?
C92 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C92 C91 H91 120.0 . . ?
C87 C92 P6 120.0(15) . . ?
C91 C92 P6 119.5(15) . . ?
C91 C92 C87 120.0 . . ?
C4 C93 C86 121(3) . . ?
C4 C93 H93 119.4 . . ?
C86 C93 H93 119.4 . . ?
C52 C94 C60 119(4) . . ?
C52 C94 H94 120.6 . . ?
C60 C94 H94 120.6 . . ?
C39 C95 P5 118(2) . . ?
C84 C95 P5 123(3) . . ?
C84 C95 C39 119(3) . . ?
C105 C96 H96 117.6 . . ?
C148 C96 H96 117.6 . . ?
C148 C96 C105 125(3) . . ?
C35 C97 C70 121(3) . . ?
C35 C97 H97 119.7 . . ?
C70 C97 H97 119.7 . . ?
C63 C98 H98 120.5 . . ?
C105 C98 C63 119(4) . . ?
C105 C98 H98 120.5 . . ?
C55 C99 P3 121(3) . . ?
C55 C99 C106 119(4) . . ?
C106 C99 P3 120(2) . . ?
C101 C100 H100 120.3 . . ?
C101 C100 C102 119(4) . . ?
C102 C100 H100 120.3 . . ?
C85 C101 C100 123(4) . . ?
C85 C101 H101 118.7 . . ?
C100 C101 H101 118.7 . . ?
C30 C102 C100 119(4) . . ?
C30 C102 H102 120.3 . . ?
C100 C102 H102 120.3 . . ?
C38 C103 H103 120.2 . . ?
C81 C103 C38 120(2) . . ?
C81 C103 H103 120.2 . . ?
C45 C104 H104 117.8 . . ?
C45 C104 C114 124(3) . . ?
C114 C104 H104 117.8 . . ?
C96 C105 H105 120.4 . . ?
C98 C105 C96 119(3) . . ?
C98 C105 H105 120.4 . . ?
C99 C106 H106 117.0 . . ?
C111 C106 C99 126(4) . . ?
C111 C106 H106 117.0 . . ?
C39 C107 C46 119(4) . . ?
C39 C107 H107 120.7 . . ?
C46 C107 H107 120.7 . . ?
C109 C108 H108 122.4 . . ?
C112 C108 H108 122.4 . . ?
C112 C108 C109 115(3) . . ?
C108 C109 H109 115.4 . . ?
C110 C109 C108 129(4) . . ?
C110 C109 H109 115.4 . . ?
C14 C110 H110 123.8 . . ?
C109 C110 C14 112(4) . . ?
C109 C110 H110 123.8 . . ?
C53 C111 C106 118(3) . . ?
C53 C111 H111 121.0 . . ?
C106 C111 H111 121.0 . . ?
C29 C112 H112 117.6 . . ?
C108 C112 C29 125(4) . . ?
C108 C112 H112 117.6 . . ?
C52 C113 H113 121.2 . . ?
C142 C113 C52 118(4) . . ?
C142 C113 H113 121.2 . . ?
C104 C114 H114 122.5 . . ?
C104 C114 C138 115(3) . . ?
C138 C114 H114 122.5 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C120 120.0 . . ?
C120 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 P3 117.6(14) . . ?
C116 C117 C118 120.0 . . ?
C118 C117 P3 121.9(15) . . ?
C117 C118 H118 120.0 . . ?
C117 C118 C119 120.0 . . ?
C119 C118 H118 120.0 . . ?
C118 C119 H119 120.0 . . ?
C118 C119 C120 120.0 . . ?
C120 C119 H119 120.0 . . ?
C115 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C119 C120 H120 120.0 . . ?
C122 C121 H121 109.7 . . ?
C126 C121 H121 109.7 . . ?
C126 C121 C122 141(3) . . ?
C121 C122 C59 124(3) . . ?
C123 C122 C59 127(3) . . ?
C123 C122 C121 109(3) . . ?
C122 C123 C124 123(3) . . ?
C128 C123 C122 110(3) . . ?
C128 C123 C124 126(3) . . ?
C123 C124 H124 122.4 . . ?
C125 C124 C123 115(3) . . ?
C125 C124 H124 122.4 . . ?
C124 C125 H125 113.7 . . ?
C124 C125 C126 133(4) . . ?
C126 C125 H125 113.7 . . ?
C121 C126 C125 100(3) . . ?
C121 C126 H126 130.1 . . ?
C125 C126 H126 130.1 . . ?
C33 C127 H127 120.4 . . ?
C128 C127 C33 119(3) . . ?
C128 C127 H127 120.4 . . ?
C123 C128 C127 127(3) . . ?
C123 C128 H128 116.7 . . ?
C127 C128 H128 116.7 . . ?
C130 C129 C16 125(3) . . ?
C143 C129 C16 115(3) . . ?
C143 C129 C130 121(4) . . ?
C129 C130 C1 116(3) . . ?
C129 C130 C131 122(4) . . ?
C131 C130 C1 122(3) . . ?
C130 C131 H131 124.6 . . ?
C145 C131 C130 111(4) . . ?
C145 C131 H131 124.6 . . ?
C133 C132 H132 120.0 . . ?
C133 C132 C137 120.0 . . ?
C137 C132 H132 120.0 . . ?
C132 C133 H133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 H133 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C137 C136 H136 120.0 . . ?
C132 C137 P1 128.1(19) . . ?
C136 C137 P1 112(2) . . ?
C136 C137 C132 120.0 . . ?
C114 C138 H138 119.9 . . ?
C114 C138 C139 120(3) . . ?
C139 C138 H138 119.9 . . ?
C58 C139 C138 120(3) . . ?
C58 C139 H139 120.0 . . ?
C138 C139 H139 120.0 . . ?
C46 C140 H140 121.5 . . ?
C50 C140 C46 117(3) . . ?
C50 C140 H140 121.5 . . ?
C60 C141 H141 121.0 . . ?
C142 C141 C60 118(4) . . ?
C142 C141 H141 121.0 . . ?
C113 C142 H142 118.6 . . ?
C141 C142 C113 123(4) . . ?
C141 C142 H142 118.6 . . ?
C129 C143 H143 119.1 . . ?
C144 C143 C129 122(4) . . ?
C144 C143 H143 119.1 . . ?
C143 C144 H144 123.6 . . ?
C143 C144 C145 113(4) . . ?
C145 C144 H144 123.6 . . ?
C131 C145 C144 131(4) . . ?
C131 C145 H145 114.5 . . ?
C144 C145 H145 114.5 . . ?
C61 C148 H148 123.1 . . ?
C96 C148 C61 114(3) . . ?
C96 C148 H148 123.1 . . ?
C146 O7 H7A 108.0 . . ?
O5 C146 O7 121(3) . . ?
O6 C146 O5 122(3) . . ?
O6 C146 O7 117(3) . . ?
C147 O9 H9A 107.6 . . ?
O8 C147 O9 125(3) . . ?
O10 C147 O8 118(3) . . ?
O10 C147 O9 117(4) . . ?
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 2.9006(15) . ?
Au1 S1 2.320(6) . ?
Au1 P1 2.263(9) . ?
Au2 Au3 2.6902(15) . ?
Au2 Au4 2.6525(17) . ?
Au2 Au5 2.9208(14) . ?
Au2 Au6 3.2112(15) . ?
Au2 P2 2.332(8) . ?
Au3 Au4 2.7278(18) . ?
Au3 Au5 2.8264(16) . ?
Au3 P3 2.278(8) . ?
Au4 Au5 2.8925(14) . ?
Au4 Au6 2.8440(16) . ?
Au4 S2 2.378(8) . ?
Au5 Au6 2.6512(14) . ?
Au5 Au8 2.6758(16) . ?
Au5 P4 2.287(6) . ?
Au6 Au7 2.9759(16) . ?
Au6 Au8 2.6668(14) . ?
Au6 S1 2.363(5) . ?
Au7 Au8 2.9721(15) . ?
Au7 S2 2.366(10) . ?
Au7 P6 2.278(9) . ?
Au8 P5 2.303(7) . ?
S1 C31 1.79(3) . ?
S2 C45 1.84(3) . ?
P1 C33 1.84(3) . ?
P1 C60 1.82(4) . ?
P1 C137 1.82(2) . ?
P2 C2 1.81(3) . ?
P2 C10 1.795(16) . ?
P2 C86 1.83(3) . ?
P3 C67 1.79(2) . ?
P3 C99 1.82(4) . ?
P3 C117 1.95(2) . ?
P4 C13 1.80(3) . ?
P4 C32 1.83(3) . ?
P4 C54 1.85(4) . ?
P5 C26 1.878(14) . ?
P5 C71 1.871(18) . ?
P5 C95 1.80(3) . ?
P6 C61 1.82(4) . ?
P6 C70 1.85(4) . ?
P6 C92 1.832(18) . ?
O1 C40 1.18(4) . ?
O2 H2 0.8200 . ?
O2 C40 1.35(4) . ?
O3 H3 0.8600 . ?
O3 C11 1.29(6) . ?
O4 C11 1.20(5) . ?
C1 C54 1.41(5) . ?
C1 C55 1.38(6) . ?
C1 C130 1.49(5) . ?
C2 C3 1.41(4) . ?
C2 C80 1.33(4) . ?
C3 H3A 0.9300 . ?
C3 C15 1.42(4) . ?
C4 H4 0.9300 . ?
C4 C41 1.38(4) . ?
C4 C93 1.34(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C5 C10 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C8 1.3900 . ?
C8 H8 0.9300 . ?
C8 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C11 C58 1.48(5) . ?
C12 C31 1.44(4) . ?
C12 C38 1.31(4) . ?
C12 C40 1.54(4) . ?
C13 C19 1.45(5) . ?
C13 C28 1.32(4) . ?
C14 C29 1.37(5) . ?
C14 C35 1.44(5) . ?
C14 C110 1.53(5) . ?
C15 H15 0.9300 . ?
C15 C34 1.29(4) . ?
C16 H16 0.9300 . ?
C16 C83 1.33(5) . ?
C16 C129 1.42(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.391(13) . ?
C17 C62 1.39(5) . ?
C18 H18 0.9300 . ?
C18 C27 1.390(13) . ?
C19 H19 0.9300 . ?
C19 C43 1.43(4) . ?
C20 H20 0.9300 . ?
C20 C32 1.41(4) . ?
C20 C77 1.37(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 H22 0.9300 . ?
C22 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C27 C41 1.391(13) . ?
C27 C51 1.48(4) . ?
C28 H28 0.9300 . ?
C28 C78 1.40(4) . ?
C29 C36 1.45(5) . ?
C29 C112 1.44(2) . ?
C30 C53 1.44(5) . ?
C30 C55 1.52(5) . ?
C30 C102 1.39(3) . ?
C31 C44 1.43(4) . ?
C32 C56 1.39(4) . ?
C33 C59 1.394(13) . ?
C33 C127 1.400(13) . ?
C34 H34 0.9300 . ?
C34 C57 1.36(4) . ?
C35 H35 0.9300 . ?
C35 C97 1.36(5) . ?
C36 C70 1.33(5) . ?
C36 C84 1.46(5) . ?
C37 H37 0.9300 . ?
C37 C43 1.38(4) . ?
C37 C78 1.28(4) . ?
C38 H38 0.9300 . ?
C38 C103 1.387(13) . ?
C39 H39 0.9300 . ?
C39 C95 1.47(5) . ?
C39 C107 1.386(13) . ?
C41 C42 1.42(4) . ?
C42 H42 0.9300 . ?
C42 C62 1.37(4) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C44 C81 1.387(13) . ?
C45 C58 1.391(13) . ?
C45 C104 1.38(5) . ?
C46 C47 1.38(2) . ?
C46 C107 1.389(13) . ?
C46 C140 1.38(2) . ?
C47 C48 1.39(2) . ?
C47 C84 1.392(13) . ?
C48 H48 0.9300 . ?
C48 C49 1.38(2) . ?
C49 H49 0.9300 . ?
C49 C50 1.45(5) . ?
C50 H50 0.9300 . ?
C50 C140 1.36(3) . ?
C51 C59 1.44(2) . ?
C51 C86 1.44(4) . ?
C52 H52 0.9300 . ?
C52 C94 1.38(2) . ?
C52 C113 1.39(3) . ?
C53 C85 1.39(2) . ?
C53 C111 1.38(3) . ?
C54 C83 1.51(6) . ?
C55 C99 1.39(3) . ?
C56 H56 0.9300 . ?
C56 C82 1.42(4) . ?
C57 H57 0.9300 . ?
C57 C80 1.43(4) . ?
C58 C139 1.40(2) . ?
C59 C122 1.394(13) . ?
C60 C94 1.388(19) . ?
C60 C141 1.40(3) . ?
C61 C63 1.32(5) . ?
C61 C148 1.43(4) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C63 C98 1.38(5) . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C64 C69 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C67 1.3900 . ?
C67 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C69 1.3900 . ?
C69 H69 0.9300 . ?
C70 C97 1.52(5) . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 H72 0.9300 . ?
C72 C73 1.3900 . ?
C73 H73 0.9300 . ?
C73 C74 1.3900 . ?
C74 H74 0.9300 . ?
C74 C75 1.3900 . ?
C75 H75 0.9300 . ?
C75 C76 1.3900 . ?
C76 H76 0.9300 . ?
C77 H77 0.9300 . ?
C77 C79 1.35(5) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C79 C82 1.31(5) . ?
C80 H80 0.9300 . ?
C81 H81 0.9300 . ?
C81 C103 1.386(13) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 C95 1.387(13) . ?
C85 H85 0.9300 . ?
C85 C101 1.38(3) . ?
C86 C93 1.41(5) . ?
C87 H87 0.9300 . ?
C87 C88 1.3900 . ?
C87 C92 1.3900 . ?
C88 H88 0.9300 . ?
C88 C89 1.3900 . ?
C89 H89 0.9300 . ?
C89 C90 1.3900 . ?
C90 H90 0.9300 . ?
C90 C91 1.3900 . ?
C91 H91 0.9300 . ?
C91 C92 1.3900 . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C96 H96 0.9300 . ?
C96 C105 1.36(5) . ?
C96 C148 1.38(5) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C98 C105 1.31(5) . ?
C99 C106 1.40(2) . ?
C100 H100 0.9300 . ?
C100 C101 1.40(3) . ?
C100 C102 1.41(5) . ?
C101 H101 0.9300 . ?
C102 H102 0.9300 . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C104 C114 1.389(13) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C106 C111 1.39(2) . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C108 C109 1.38(3) . ?
C108 C112 1.32(5) . ?
C109 H109 0.9300 . ?
C109 C110 1.36(5) . ?
C110 H110 0.9300 . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 H113 0.9300 . ?
C113 C142 1.38(3) . ?
C114 H114 0.9300 . ?
C114 C138 1.389(13) . ?
C115 H115 0.9300 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 H116 0.9300 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C118 H118 0.9300 . ?
C118 C119 1.3900 . ?
C119 H119 0.9300 . ?
C119 C120 1.3900 . ?
C120 H120 0.9300 . ?
C121 H121 0.9300 . ?
C121 C122 1.390(13) . ?
C121 C126 1.390(13) . ?
C122 C123 1.389(13) . ?
C123 C124 1.393(13) . ?
C123 C128 1.384(13) . ?
C124 H124 0.9300 . ?
C124 C125 1.391(14) . ?
C125 H125 0.9300 . ?
C125 C126 1.392(13) . ?
C126 H126 0.9300 . ?
C127 H127 0.9300 . ?
C127 C128 1.387(13) . ?
C128 H128 0.9300 . ?
C129 C130 1.390(14) . ?
C129 C143 1.39(2) . ?
C130 C131 1.397(13) . ?
C131 H131 0.9300 . ?
C131 C145 1.39(2) . ?
C132 H132 0.9300 . ?
C132 C133 1.3900 . ?
C132 C137 1.3900 . ?
C133 H133 0.9300 . ?
C133 C134 1.3900 . ?
C134 H134 0.9300 . ?
C134 C135 1.3900 . ?
C135 H135 0.9300 . ?
C135 C136 1.3900 . ?
C136 H136 0.9300 . ?
C136 C137 1.3900 . ?
C138 H138 0.9300 . ?
C138 C139 1.45(5) . ?
C139 H139 0.9300 . ?
C140 H140 0.9300 . ?
C141 H141 0.9300 . ?
C141 C142 1.37(2) . ?
C142 H142 0.9300 . ?
C143 H143 0.9300 . ?
C143 C144 1.37(2) . ?
C144 H144 0.9300 . ?
C144 C145 1.391(14) . ?
C145 H145 0.9300 . ?
C148 H148 0.9300 . ?
O5 C146 1.315(13) . ?
O6 C146 1.315(13) . ?
O7 H7A 0.9600 . ?
O7 C146 1.372(13) . ?
O8 C147 1.38(5) . ?
O9 H9A 0.8201 . ?
O9 C147 1.39(5) . ?
O10 C147 1.33(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C31 C12 76(3) . . . . ?
Au1 S1 C31 C44 -106(2) . . . . ?
Au1 P1 C33 C59 -32(3) . . . . ?
Au1 P1 C33 C127 166(2) . . . . ?
Au1 P1 C60 C94 5(4) . . . . ?
Au1 P1 C60 C141 -176(3) . . . . ?
Au1 P1 C137 C132 -96.6(17) . . . . ?
Au1 P1 C137 C136 77.5(14) . . . . ?
Au2 P2 C2 C3 -42(2) . . . . ?
Au2 P2 C2 C80 136(2) . . . . ?
Au2 P2 C10 C5 0.1(13) . . . . ?
Au2 P2 C10 C9 176.6(8) . . . . ?
Au2 P2 C86 C51 -74(3) . . . . ?
Au2 P2 C86 C93 100(2) . . . . ?
Au3 P3 C67 C66 140.9(12) . . . . ?
Au3 P3 C67 C68 -35.1(14) . . . . ?
Au3 P3 C99 C55 -53(4) . . . . ?
Au3 P3 C99 C106 128(3) . . . . ?
Au4 S2 C45 C58 122(5) . . . . ?
Au4 S2 C45 C104 -63(5) . . . . ?
Au5 P4 C13 C19 37(2) . . . . ?
Au5 P4 C13 C28 -152(3) . . . . ?
Au5 P4 C32 C20 -144(2) . . . . ?
Au5 P4 C32 C56 30(3) . . . . ?
Au5 P4 C54 C1 -116(3) . . . . ?
Au5 P4 C54 C83 67(3) . . . . ?
Au6 S1 C31 C12 -173(2) . . . . ?
Au6 S1 C31 C44 6(3) . . . . ?
Au7 S2 C45 C58 -141(5) . . . . ?
Au7 S2 C45 C104 33(5) . . . . ?
Au7 P6 C61 C63 -150(3) . . . . ?
Au7 P6 C61 C148 22(3) . . . . ?
Au7 P6 C70 C36 -93(3) . . . . ?
Au7 P6 C70 C97 80(3) . . . . ?
Au7 P6 C92 C87 -158.5(11) . . . . ?
Au7 P6 C92 C91 14.0(15) . . . . ?
Au8 P5 C26 C21 163.6(11) . . . . ?
Au8 P5 C26 C25 -20.0(15) . . . . ?
Au8 P5 C71 C72 157.6(11) . . . . ?
Au8 P5 C71 C76 -22.4(14) . . . . ?
Au8 P5 C95 C39 140(2) . . . . ?
Au8 P5 C95 C84 -43(3) . . . . ?
S1 C31 C44 C81 -178(2) . . . . ?
S2 C45 C58 C11 8(9) . . . . ?
S2 C45 C58 C139 166(4) . . . . ?
S2 C45 C104 C114 176(5) . . . . ?
P1 C33 C59 C51 9(4) . . . . ?
P1 C33 C59 C122 -163(2) . . . . ?
P1 C33 C127 C128 169(2) . . . . ?
P1 C60 C94 C52 177(3) . . . . ?
P1 C60 C141 C142 -178(3) . . . . ?
P2 C2 C3 C15 176(2) . . . . ?
P2 C2 C80 C57 -179(2) . . . . ?
P2 C86 C93 C4 -167(3) . . . . ?
P3 C67 C68 C69 176.1(19) . . . . ?
P3 C99 C106 C111 173(3) . . . . ?
P3 C117 C118 C119 172(2) . . . . ?
P4 C13 C19 C43 178(2) . . . . ?
P4 C13 C28 C78 -177(2) . . . . ?
P4 C32 C56 C82 -176(2) . . . . ?
P4 C54 C83 C16 177(3) . . . . ?
P5 C71 C72 C73 -179.9(18) . . . . ?
P5 C71 C76 C75 179.9(18) . . . . ?
P6 C61 C63 C98 -178(3) . . . . ?
P6 C61 C148 C96 -180(3) . . . . ?
P6 C70 C97 C35 -179(3) . . . . ?
O3 C11 C58 C45 -141(6) . . . . ?
O3 C11 C58 C139 59(7) . . . . ?
O4 C11 C58 C45 29(10) . . . . ?
O4 C11 C58 C139 -130(6) . . . . ?
C1 C54 C83 C16 -1(6) . . . . ?
C1 C55 C99 P3 -4(6) . . . . ?
C1 C55 C99 C106 176(4) . . . . ?
C1 C130 C131 C145 -172(4) . . . . ?
C2 P2 C10 C5 118.6(14) . . . . ?
C2 P2 C10 C9 -64.9(15) . . . . ?
C2 P2 C86 C51 169(3) . . . . ?
C2 P2 C86 C93 -17(3) . . . . ?
C2 C3 C15 C34 8(4) . . . . ?
C3 C2 C80 C57 -2(4) . . . . ?
C3 C15 C34 C57 -11(4) . . . . ?
C4 C41 C42 C62 176(3) . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C5 C10 P2 176.4(15) . . . . ?
C6 C5 C10 C9 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C9 C10 P2 -176.5(15) . . . . ?
C8 C9 C10 C5 0.0 . . . . ?
C10 P2 C2 C3 -167(2) . . . . ?
C10 P2 C2 C80 11(3) . . . . ?
C10 P2 C86 C51 57(3) . . . . ?
C10 P2 C86 C93 -130(2) . . . . ?
C10 C5 C6 C7 0.0 . . . . ?
C11 C58 C139 C138 176(5) . . . . ?
C12 C31 C44 C81 1(5) . . . . ?
C12 C38 C103 C81 -2(5) . . . . ?
C13 P4 C32 C20 -25(3) . . . . ?
C13 P4 C32 C56 149(3) . . . . ?
C13 P4 C54 C1 127(4) . . . . ?
C13 P4 C54 C83 -50(3) . . . . ?
C13 C19 C43 C37 -2(4) . . . . ?
C13 C28 C78 C37 1(5) . . . . ?
C14 C29 C36 C70 2(6) . . . . ?
C14 C29 C36 C84 -179(3) . . . . ?
C14 C29 C112 C108 -10(6) . . . . ?
C14 C35 C97 C70 2(5) . . . . ?
C15 C34 C57 C80 8(4) . . . . ?
C16 C129 C130 C1 -4(6) . . . . ?
C16 C129 C130 C131 176(4) . . . . ?
C16 C129 C143 C144 -178(4) . . . . ?
C17 C18 C27 C41 -2(5) . . . . ?
C17 C18 C27 C51 180(3) . . . . ?
C18 C17 C62 C42 0(5) . . . . ?
C18 C27 C41 C4 -178(3) . . . . ?
C18 C27 C41 C42 6(5) . . . . ?
C18 C27 C51 C59 6(5) . . . . ?
C18 C27 C51 C86 180(3) . . . . ?
C19 C13 C28 C78 -6(5) . . . . ?
C20 C32 C56 C82 -3(5) . . . . ?
C20 C77 C79 C82 -6(5) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C21 C26 P5 176.4(19) . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 P5 -176.5(18) . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C26 P5 C71 C72 36.3(16) . . . . ?
C26 P5 C71 C76 -143.6(13) . . . . ?
C26 P5 C95 C39 -97(3) . . . . ?
C26 P5 C95 C84 80(3) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C27 C41 C42 C62 -8(5) . . . . ?
C27 C51 C59 C33 -93(4) . . . . ?
C27 C51 C59 C122 78(4) . . . . ?
C27 C51 C86 P2 169(2) . . . . ?
C27 C51 C86 C93 -5(5) . . . . ?
C28 C13 C19 C43 6(4) . . . . ?
C29 C14 C35 C97 4(5) . . . . ?
C29 C14 C110 C109 -4(5) . . . . ?
C29 C36 C70 P6 176(3) . . . . ?
C29 C36 C70 C97 3(5) . . . . ?
C29 C36 C84 C47 88(4) . . . . ?
C29 C36 C84 C95 -91(4) . . . . ?
C30 C53 C85 C101 -1(6) . . . . ?
C30 C53 C111 C106 -6(6) . . . . ?
C30 C55 C99 P3 -172(3) . . . . ?
C30 C55 C99 C106 7(5) . . . . ?
C31 C12 C38 C103 5(5) . . . . ?
C31 C12 C40 O1 -23(5) . . . . ?
C31 C12 C40 O2 155(3) . . . . ?
C31 C44 C81 C103 3(5) . . . . ?
C32 P4 C13 C19 -84(2) . . . . ?
C32 P4 C13 C28 87(3) . . . . ?
C32 P4 C54 C1 14(4) . . . . ?
C32 P4 C54 C83 -163(2) . . . . ?
C32 C20 C77 C79 1(5) . . . . ?
C32 C56 C82 C79 -2(5) . . . . ?
C33 P1 C60 C94 -124(4) . . . . ?
C33 P1 C60 C141 55(4) . . . . ?
C33 P1 C137 C132 28.2(18) . . . . ?
C33 P1 C137 C136 -157.7(15) . . . . ?
C33 C59 C122 C121 170(3) . . . . ?
C33 C59 C122 C123 -7(5) . . . . ?
C33 C127 C128 C123 -7(5) . . . . ?
C34 C57 C80 C2 -1(4) . . . . ?
C35 C14 C29 C36 -6(6) . . . . ?
C35 C14 C29 C112 -180(3) . . . . ?
C35 C14 C110 C109 -176(3) . . . . ?
C36 C29 C112 C108 176(4) . . . . ?
C36 C70 C97 C35 -5(5) . . . . ?
C36 C84 C95 P5 8(5) . . . . ?
C36 C84 C95 C39 -175(3) . . . . ?
C38 C12 C31 S1 174(3) . . . . ?
C38 C12 C31 C44 -5(5) . . . . ?
C38 C12 C40 O1 157(3) . . . . ?
C38 C12 C40 O2 -25(4) . . . . ?
C40 C12 C31 S1 -6(4) . . . . ?
C40 C12 C31 C44 175(3) . . . . ?
C40 C12 C38 C103 -175(3) . . . . ?
C41 C4 C93 C86 -5(5) . . . . ?
C41 C27 C51 C59 -173(3) . . . . ?
C41 C27 C51 C86 1(5) . . . . ?
C41 C42 C62 C17 4(5) . . . . ?
C43 C37 C78 C28 3(5) . . . . ?
C44 C81 C103 C38 -3(5) . . . . ?
C45 C58 C139 C138 15(9) . . . . ?
C45 C104 C114 C138 20(9) . . . . ?
C46 C47 C48 C49 -5(5) . . . . ?
C46 C47 C84 C36 179(3) . . . . ?
C46 C47 C84 C95 -3(5) . . . . ?
C47 C46 C107 C39 4(5) . . . . ?
C47 C46 C140 C50 2(6) . . . . ?
C47 C48 C49 C50 1(5) . . . . ?
C47 C84 C95 P5 -171(3) . . . . ?
C47 C84 C95 C39 7(5) . . . . ?
C48 C47 C84 C36 -8(5) . . . . ?
C48 C47 C84 C95 170(3) . . . . ?
C48 C49 C50 C140 4(5) . . . . ?
C49 C50 C140 C46 -6(5) . . . . ?
C51 C27 C41 C4 1(5) . . . . ?
C51 C27 C41 C42 -175(3) . . . . ?
C51 C59 C122 C121 -2(5) . . . . ?
C51 C59 C122 C123 -178(3) . . . . ?
C51 C86 C93 C4 7(5) . . . . ?
C52 C113 C142 C141 -5(7) . . . . ?
C53 C30 C55 C1 -178(4) . . . . ?
C53 C30 C55 C99 -9(5) . . . . ?
C53 C30 C102 C100 2(6) . . . . ?
C53 C85 C101 C100 -7(6) . . . . ?
C54 P4 C13 C19 158(2) . . . . ?
C54 P4 C13 C28 -31(3) . . . . ?
C54 P4 C32 C20 85(3) . . . . ?
C54 P4 C32 C56 -101(3) . . . . ?
C54 C1 C55 C30 -105(5) . . . . ?
C54 C1 C55 C99 87(5) . . . . ?
C54 C1 C130 C129 -1(5) . . . . ?
C54 C1 C130 C131 179(4) . . . . ?
C55 C1 C54 P4 10(6) . . . . ?
C55 C1 C54 C83 -174(4) . . . . ?
C55 C1 C130 C129 176(4) . . . . ?
C55 C1 C130 C131 -4(6) . . . . ?
C55 C30 C53 C85 -175(4) . . . . ?
C55 C30 C53 C111 8(6) . . . . ?
C55 C30 C102 C100 180(3) . . . . ?
C55 C99 C106 C111 -6(6) . . . . ?
C58 C45 C104 C114 -10(10) . . . . ?
C59 C33 C127 C128 6(4) . . . . ?
C59 C51 C86 P2 -18(4) . . . . ?
C59 C51 C86 C93 169(3) . . . . ?
C59 C122 C123 C124 178(3) . . . . ?
C59 C122 C123 C128 6(5) . . . . ?
C60 P1 C33 C59 92(3) . . . . ?
C60 P1 C33 C127 -70(3) . . . . ?
C60 P1 C137 C132 134(2) . . . . ?
C60 P1 C137 C136 -52(2) . . . . ?
C60 C141 C142 C113 3(7) . . . . ?
C61 P6 C70 C36 144(3) . . . . ?
C61 P6 C70 C97 -43(3) . . . . ?
C61 P6 C92 C87 -36.8(18) . . . . ?
C61 P6 C92 C91 135.7(16) . . . . ?
C61 C63 C98 C105 -6(6) . . . . ?
C62 C17 C18 C27 -2(5) . . . . ?
C63 C61 C148 C96 -7(5) . . . . ?
C63 C98 C105 C96 -1(5) . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C65 C66 C67 P3 -175.9(19) . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 P3 C99 C55 -171(3) . . . . ?
C67 P3 C99 C106 10(4) . . . . ?
C67 C68 C69 C64 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C70 P6 C61 C63 -25(4) . . . . ?
C70 P6 C61 C148 147(3) . . . . ?
C70 P6 C92 C87 73.7(18) . . . . ?
C70 P6 C92 C91 -113.8(17) . . . . ?
C70 C36 C84 C47 -94(4) . . . . ?
C70 C36 C84 C95 87(4) . . . . ?
C71 P5 C26 C21 -76.4(16) . . . . ?
C71 P5 C26 C25 100.0(15) . . . . ?
C71 P5 C95 C39 14(3) . . . . ?
C71 P5 C95 C84 -168(3) . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C72 C71 C76 C75 0.0 . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C75 C76 C71 0.0 . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
C77 C20 C32 P4 177(2) . . . . ?
C77 C20 C32 C56 4(5) . . . . ?
C77 C79 C82 C56 6(5) . . . . ?
C78 C37 C43 C19 -2(5) . . . . ?
C80 C2 C3 C15 -2(4) . . . . ?
C83 C16 C129 C130 6(7) . . . . ?
C83 C16 C129 C143 -171(4) . . . . ?
C84 C36 C70 P6 -2(5) . . . . ?
C84 C36 C70 C97 -175(3) . . . . ?
C84 C47 C48 C49 -178(3) . . . . ?
C85 C53 C111 C106 176(4) . . . . ?
C86 P2 C2 C3 80(2) . . . . ?
C86 P2 C2 C80 -102(3) . . . . ?
C86 P2 C10 C5 -128.8(15) . . . . ?
C86 P2 C10 C9 47.6(17) . . . . ?
C86 C51 C59 C33 94(4) . . . . ?
C86 C51 C59 C122 -95(4) . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C87 C92 P6 172.5(18) . . . . ?
C88 C87 C92 C91 0.0 . . . . ?
C88 C89 C90 C91 0.0 . . . . ?
C89 C90 C91 C92 0.0 . . . . ?
C90 C91 C92 P6 -172.5(17) . . . . ?
C90 C91 C92 C87 0.0 . . . . ?
C92 P6 C61 C63 88(3) . . . . ?
C92 P6 C61 C148 -100(3) . . . . ?
C92 P6 C70 C36 34(4) . . . . ?
C92 P6 C70 C97 -153(2) . . . . ?
C92 C87 C88 C89 0.0 . . . . ?
C93 C4 C41 C27 1(5) . . . . ?
C93 C4 C41 C42 177(3) . . . . ?
C94 C52 C113 C142 4(7) . . . . ?
C94 C60 C141 C142 1(7) . . . . ?
C95 P5 C26 C21 36.1(19) . . . . ?
C95 P5 C26 C25 -147.5(16) . . . . ?
C95 P5 C71 C72 -71.5(18) . . . . ?
C95 P5 C71 C76 108.6(16) . . . . ?
C95 C39 C107 C46 0(5) . . . . ?
C99 P3 C67 C66 -92.4(18) . . . . ?
C99 P3 C67 C68 91.7(17) . . . . ?
C99 C106 C111 C53 5(6) . . . . ?
C101 C100 C102 C30 -9(6) . . . . ?
C102 C30 C53 C85 4(6) . . . . ?
C102 C30 C53 C111 -173(4) . . . . ?
C102 C30 C55 C1 4(6) . . . . ?
C102 C30 C55 C99 173(4) . . . . ?
C102 C100 C101 C85 12(6) . . . . ?
C104 C45 C58 C11 -167(6) . . . . ?
C104 C45 C58 C139 -9(9) . . . . ?
C104 C114 C138 C139 -13(9) . . . . ?
C105 C96 C148 C61 1(5) . . . . ?
C107 C39 C95 P5 172(3) . . . . ?
C107 C39 C95 C84 -6(5) . . . . ?
C107 C46 C47 C48 -176(3) . . . . ?
C107 C46 C47 C84 -3(6) . . . . ?
C107 C46 C140 C50 -179(3) . . . . ?
C108 C109 C110 C14 1(6) . . . . ?
C109 C108 C112 C29 6(6) . . . . ?
C110 C14 C29 C36 -178(3) . . . . ?
C110 C14 C29 C112 9(5) . . . . ?
C110 C14 C35 C97 176(3) . . . . ?
C111 C53 C85 C101 176(4) . . . . ?
C112 C29 C36 C70 176(3) . . . . ?
C112 C29 C36 C84 -6(5) . . . . ?
C112 C108 C109 C110 -1(6) . . . . ?
C113 C52 C94 C60 0(7) . . . . ?
C114 C138 C139 C58 -4(9) . . . . ?
C115 C116 C117 P3 -173(2) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 P3 C67 C66 15.6(18) . . . . ?
C117 P3 C67 C68 -160.3(13) . . . . ?
C117 P3 C99 C55 75(3) . . . . ?
C117 P3 C99 C106 -105(3) . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C119 C120 C115 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C121 C122 C123 C124 1(4) . . . . ?
C121 C122 C123 C128 -171(3) . . . . ?
C122 C121 C126 C125 0(6) . . . . ?
C122 C123 C124 C125 3(5) . . . . ?
C122 C123 C128 C127 1(5) . . . . ?
C123 C124 C125 C126 -7(6) . . . . ?
C124 C123 C128 C127 -171(3) . . . . ?
C124 C125 C126 C121 5(5) . . . . ?
C126 C121 C122 C59 180(4) . . . . ?
C126 C121 C122 C123 -3(6) . . . . ?
C127 C33 C59 C51 171(3) . . . . ?
C127 C33 C59 C122 0(4) . . . . ?
C128 C123 C124 C125 173(3) . . . . ?
C129 C16 C83 C54 -4(6) . . . . ?
C129 C130 C131 C145 7(6) . . . . ?
C129 C143 C144 C145 -5(6) . . . . ?
C130 C1 C54 P4 -174(3) . . . . ?
C130 C1 C54 C83 3(6) . . . . ?
C130 C1 C55 C30 79(5) . . . . ?
C130 C1 C55 C99 -89(5) . . . . ?
C130 C129 C143 C144 5(6) . . . . ?
C130 C131 C145 C144 -9(7) . . . . ?
C132 C133 C134 C135 0.0 . . . . ?
C133 C132 C137 P1 174(2) . . . . ?
C133 C132 C137 C136 0.0 . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C136 C137 P1 -174.6(18) . . . . ?
C135 C136 C137 C132 0.0 . . . . ?
C137 P1 C33 C59 -153(3) . . . . ?
C137 P1 C33 C127 45(3) . . . . ?
C137 P1 C60 C94 136(4) . . . . ?
C137 P1 C60 C141 -45(4) . . . . ?
C137 C132 C133 C134 0.0 . . . . ?
C140 C46 C47 C48 3(6) . . . . ?
C140 C46 C47 C84 177(4) . . . . ?
C140 C46 C107 C39 -176(3) . . . . ?
C141 C60 C94 C52 -2(7) . . . . ?
C143 C129 C130 C1 174(4) . . . . ?
C143 C129 C130 C131 -6(6) . . . . ?
C143 C144 C145 C131 7(7) . . . . ?
C148 C61 C63 C98 10(5) . . . . ?
C148 C96 C105 C98 3(6) . . . . ?
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 -0.535 -0.597 -0.057 5311.1 1042.6 ?
