#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:54:47 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250309 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703588.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_7703588
loop_
_publ_author_name
'Hanprasit, Sasikarn'
'Yoshinari, Nobuto'
'Saito, Daisuke'
'Kato, Masako'
'Konno, Takumi'
_publ_section_title
;
 Homoleptic versus heteroleptic trinuclear systems with mixed l-cysteinate
 and d-penicillaminate regulated by a diphosphine linker.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3503
_journal_page_last               3509
_journal_paper_doi               10.1039/d0dt00440e
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C34 H38 Au2 N2 O4 P2 S2 Zn, 7[H2 O]'
_chemical_formula_sum            'C34 H52 Au2 N2 O11 P2 S2 Zn'
_chemical_formula_weight         1250.14
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-02-17 deposited with the CCDC.	2020-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                104.376(7)
_cell_angle_beta                 101.422(7)
_cell_angle_gamma                102.993(7)
_cell_formula_units_Z            2
_cell_length_a                   10.3527(8)
_cell_length_b                   15.3022(13)
_cell_length_c                   15.8338(13)
_cell_measurement_reflns_used    31120
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      15.72
_cell_measurement_theta_min      0.80
_cell_volume                     2280.4(4)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation, 1995)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1995)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation, 1995)'
_computing_molecular_graphics    'Mercury 4.1.3'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013/1 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 14.69
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku Mercury2CCD detector'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  Si(311)
_diffrn_radiation_source         'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4117
_diffrn_reflns_av_R_equivalents  0.1564
_diffrn_reflns_av_unetI/netI     0.1788
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50520
_diffrn_reflns_point_group_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        14.301
_diffrn_reflns_theta_max         15.505
_diffrn_reflns_theta_min         0.798
_exptl_absorpt_coefficient_mu    1.615
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5286
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_description       plate
_exptl_crystal_F_000             1216
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         10.494
_refine_diff_density_min         -2.612
_refine_diff_density_rms         0.429
_refine_ls_abs_structure_details
;
 Flack x determined using 3266 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.20(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         20296
_refine_ls_number_restraints     847
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.1612
_refine_ls_R_factor_gt           0.1183
_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)+(0.1791P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2869
_refine_ls_wR_factor_ref         0.3162
_reflns_Friedel_coverage         0.941
_reflns_Friedel_fraction_full    0.945
_reflns_Friedel_fraction_max     0.940
_reflns_number_gt                11994
_reflns_number_total             20296
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00440e2.cif
_cod_data_source_block           2zn
_cod_depositor_comments
'Adding full bibliography for 7703586--7703589.cif.'
_cod_original_cell_volume        2280.4(3)
_cod_database_code               7703588
_shelx_shelxl_version_number     2018/1
_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_min   0.855
_shelx_estimated_absorpt_t_max   0.855
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.91806(12) 1.15707(10) 0.32320(10) 0.0401(4) Uani 1 1 d . . . . .
Au2 Au 0.75602(14) 0.99728(13) 0.15348(11) 0.0550(5) Uani 1 1 d . . . . .
Au3 Au 0.27168(16) 0.68410(12) 0.48417(12) 0.0542(5) Uani 1 1 d . . . . .
Au4 Au 0.42254(15) 0.85904(11) 0.63524(10) 0.0475(5) Uani 1 1 d . . . . .
Zn1 Zn 0.7465(4) 0.9194(4) 0.3538(3) 0.0482(12) Uani 1 1 d . . . . .
Zn2 Zn 0.2580(5) 0.8853(4) 0.4082(4) 0.0481(12) Uani 1 1 d . . . . .
S1 S 0.7995(9) 1.0977(7) 0.4166(7) 0.039(2) Uani 1 1 d . . . . .
S2 S 0.8130(12) 0.8760(9) 0.2015(8) 0.058(3) Uani 1 1 d . . . . .
S3 S 0.3446(12) 0.7375(9) 0.3738(9) 0.056(3) Uani 1 1 d . . . . .
S4 S 0.3014(10) 0.9515(8) 0.5760(8) 0.048(2) Uani 1 1 d . . . . .
P1 P 1.0365(12) 1.2286(9) 0.2406(8) 0.048(3) Uani 1 1 d . . . . .
P2 P 0.6875(14) 1.1061(13) 0.1005(9) 0.070(4) Uani 1 1 d . . . . .
P3 P 0.1914(12) 0.6261(10) 0.5864(10) 0.057(3) Uani 1 1 d . . . . .
P4 P 0.5344(14) 0.7715(10) 0.6993(9) 0.055(3) Uani 1 1 d . . . . .
O1 O 0.697(2) 0.9166(19) 0.4793(18) 0.044(5) Uani 1 1 d . . . . .
O2 O 0.810(3) 0.986(2) 0.6289(19) 0.051(6) Uani 1 1 d . . . . .
O3 O 0.550(3) 0.914(2) 0.2805(19) 0.052(5) Uani 1 1 d . . . . .
O4 O 0.376(3) 0.817(3) 0.168(2) 0.067(8) Uani 1 1 d . . . . .
O5 O 0.061(3) 0.796(2) 0.405(2) 0.053(5) Uani 1 1 d . . . . .
O6 O -0.083(4) 0.664(3) 0.324(3) 0.077(10) Uani 1 1 d . . . . .
O7 O 0.197(3) 1.007(2) 0.3945(19) 0.048(5) Uani 1 1 d . . . . .
O8 O 0.295(3) 1.168(2) 0.451(2) 0.061(7) Uani 1 1 d . . . . .
N1 N 0.940(3) 0.949(2) 0.437(2) 0.047(5) Uani 1 1 d D . . . .
H1A H 0.958825 0.895037 0.442542 0.056 Uiso 1 1 calc R U . . .
H1B H 1.004637 0.979867 0.414910 0.056 Uiso 1 1 calc R U . . .
N2 N 0.646(3) 0.767(3) 0.303(2) 0.055(5) Uani 1 1 d D . . . .
H2A H 0.708291 0.733462 0.299768 0.066 Uiso 1 1 calc R U . . .
H2B H 0.591576 0.747923 0.337625 0.066 Uiso 1 1 calc R U . . .
N3 N 0.152(3) 0.825(2) 0.268(2) 0.055(5) Uani 1 1 d D . . . .
H3A H 0.083048 0.849763 0.251926 0.066 Uiso 1 1 calc R U . . .
H3B H 0.210325 0.830036 0.232334 0.066 Uiso 1 1 calc R U . . .
N4 N 0.448(3) 0.980(2) 0.443(3) 0.053(5) Uani 1 1 d D . . . .
H4A H 0.510881 0.962472 0.478318 0.064 Uiso 1 1 calc R U . . .
H4B H 0.474790 0.984878 0.392607 0.064 Uiso 1 1 calc R U . . .
C1 C 0.936(4) 1.104(3) 0.511(3) 0.047(7) Uani 1 1 d . . . . .
H1 H 1.025040 1.133910 0.501849 0.056 Uiso 1 1 calc R U . . .
H2 H 0.925977 1.145639 0.566824 0.056 Uiso 1 1 calc R U . . .
C2 C 0.939(3) 1.009(3) 0.525(2) 0.044(5) Uani 1 1 d D . . . .
H3 H 1.020752 1.015367 0.574297 0.053 Uiso 1 1 calc R U . . .
C3 C 0.804(3) 0.965(3) 0.544(3) 0.040(5) Uani 1 1 d . . . . .
C4 C 0.666(6) 0.772(4) 0.144(4) 0.077(9) Uani 1 1 d . . . . .
C5 C 0.561(4) 0.759(3) 0.209(2) 0.058(6) Uani 1 1 d D . . . .
H4 H 0.489807 0.695918 0.182440 0.070 Uiso 1 1 calc R U . . .
C6 C 0.491(4) 0.842(4) 0.218(3) 0.060(6) Uani 1 1 d . . . . .
C7 C 0.556(5) 0.751(5) 0.050(4) 0.088(11) Uani 1 1 d . U . . .
H5 H 0.519304 0.804907 0.051214 0.132 Uiso 1 1 calc R U . . .
H6 H 0.601592 0.741425 0.000882 0.132 Uiso 1 1 calc R U . . .
H7 H 0.481285 0.694496 0.039582 0.132 Uiso 1 1 calc R U . . .
C8 C 0.713(7) 0.686(5) 0.133(5) 0.099(13) Uani 1 1 d . . . . .
H8 H 0.781025 0.692034 0.187942 0.148 Uiso 1 1 calc R U . . .
H9 H 0.633775 0.630758 0.120360 0.148 Uiso 1 1 calc R U . . .
H10 H 0.754082 0.677687 0.081660 0.148 Uiso 1 1 calc R U . . .
C9 C 0.931(5) 1.269(4) 0.160(3) 0.062(8) Uani 1 1 d . . . . .
H11 H 0.883886 1.309427 0.194012 0.074 Uiso 1 1 calc R U . . .
H12 H 0.993720 1.309922 0.136441 0.074 Uiso 1 1 calc R U . . .
C10 C 0.832(5) 1.203(5) 0.086(4) 0.078(10) Uani 1 1 d . . . . .
H13 H 0.880895 1.170388 0.047140 0.094 Uiso 1 1 calc R U . . .
H14 H 0.785287 1.238427 0.051701 0.094 Uiso 1 1 calc R U . . .
C11 C 1.171(2) 1.3333(16) 0.3116(17) 0.056(7) Uani 1 1 d G . . . .
C12 C 1.222(3) 1.3466(17) 0.4034(18) 0.050(7) Uani 1 1 d G . . . .
H15 H 1.182874 1.301390 0.429886 0.060 Uiso 1 1 calc R U . . .
C13 C 1.329(3) 1.426(2) 0.4563(15) 0.059(8) Uani 1 1 d G . . . .
H16 H 1.363499 1.435076 0.519092 0.071 Uiso 1 1 calc R U . . .
C14 C 1.386(2) 1.4921(17) 0.4175(19) 0.058(8) Uani 1 1 d G . . . .
H17 H 1.459138 1.546408 0.453750 0.069 Uiso 1 1 calc R U . . .
C15 C 1.335(3) 1.4789(17) 0.3257(19) 0.061(8) Uani 1 1 d G . . . .
H18 H 1.374150 1.524057 0.299203 0.073 Uiso 1 1 calc R U . . .
C16 C 1.228(3) 1.399(2) 0.2727(15) 0.058(8) Uani 1 1 d G . . . .
H19 H 1.193523 1.390373 0.209996 0.070 Uiso 1 1 calc R U . . .
C17 C 1.104(3) 1.1499(18) 0.1682(18) 0.043(6) Uani 1 1 d G . . . .
C18 C 1.136(3) 1.0780(18) 0.1994(16) 0.035(5) Uani 1 1 d G U . . .
H20 H 1.103324 1.063781 0.247872 0.042 Uiso 1 1 calc R U . . .
C19 C 1.216(3) 1.027(2) 0.160(2) 0.065(12) Uani 1 1 d G . . . .
H21 H 1.237198 0.977767 0.181260 0.078 Uiso 1 1 calc R U . . .
C20 C 1.263(4) 1.048(2) 0.089(2) 0.100(18) Uani 1 1 d G . . . .
H22 H 1.317760 1.012802 0.061982 0.120 Uiso 1 1 calc R U . . .
C21 C 1.232(3) 1.120(2) 0.0577(18) 0.052(8) Uani 1 1 d G . . . .
H23 H 1.264444 1.133850 0.009313 0.062 Uiso 1 1 calc R U . . .
C22 C 1.152(3) 1.1707(19) 0.0973(19) 0.073(13) Uani 1 1 d G . . . .
H24 H 1.130571 1.219863 0.075923 0.087 Uiso 1 1 calc R U . . .
C23 C 0.555(4) 1.064(4) -0.006(3) 0.088(10) Uani 1 1 d G U . . .
C24 C 0.492(5) 0.969(3) -0.050(3) 0.109(19) Uani 1 1 d G . . . .
H25 H 0.519717 0.923244 -0.025281 0.130 Uiso 1 1 calc R U . . .
C25 C 0.389(4) 0.940(3) -0.130(3) 0.095(12) Uani 1 1 d G . . . .
H26 H 0.345643 0.874654 -0.160741 0.114 Uiso 1 1 calc R U . . .
C26 C 0.348(4) 1.007(4) -0.167(2) 0.118(19) Uani 1 1 d G . . . .
H27 H 0.277262 0.986788 -0.221711 0.141 Uiso 1 1 calc R U . . .
C27 C 0.411(6) 1.102(4) -0.122(3) 0.116(18) Uani 1 1 d G . . . .
H28 H 0.382956 1.147513 -0.147223 0.139 Uiso 1 1 calc R U . . .
C28 C 0.514(6) 1.131(3) -0.042(3) 0.18(5) Uani 1 1 d G . . . .
H29 H 0.557032 1.196105 -0.011762 0.218 Uiso 1 1 calc R U . . .
C29 C 0.614(4) 1.177(3) 0.177(2) 0.079(9) Uani 1 1 d G . . . .
C30 C 0.604(4) 1.265(3) 0.174(3) 0.12(2) Uani 1 1 d G . . . .
H64 H 0.640610 1.292522 0.132862 0.144 Uiso 1 1 calc R U . . .
C31 C 0.541(4) 1.314(2) 0.231(3) 0.087(10) Uani 1 1 d G U . . .
H65 H 0.533615 1.374150 0.229558 0.105 Uiso 1 1 calc R U . . .
C32 C 0.487(4) 1.274(3) 0.292(2) 0.093(13) Uani 1 1 d G . . . .
H66 H 0.443848 1.307093 0.330973 0.112 Uiso 1 1 calc R U . . .
C33 C 0.498(4) 1.186(3) 0.295(2) 0.085(12) Uani 1 1 d G . . . .
H67 H 0.461075 1.158408 0.335691 0.102 Uiso 1 1 calc R U . . .
C34 C 0.561(3) 1.137(2) 0.237(2) 0.069(10) Uani 1 1 d G . . . .
H68 H 0.568071 1.076779 0.238996 0.082 Uiso 1 1 calc R U . . .
C35 C 0.208(4) 0.678(3) 0.279(3) 0.053(8) Uani 1 1 d . . . . .
H30 H 0.242287 0.668778 0.224678 0.064 Uiso 1 1 calc R U . . .
H31 H 0.165798 0.614270 0.283165 0.064 Uiso 1 1 calc R U . . .
C36 C 0.100(5) 0.726(3) 0.269(4) 0.064(6) Uani 1 1 d D . . . .
H32 H 0.035288 0.691299 0.207663 0.077 Uiso 1 1 calc R U . . .
C37 C 0.012(5) 0.733(4) 0.334(3) 0.061(7) Uani 1 1 d . . . . .
C38 C 0.423(4) 1.064(3) 0.584(3) 0.045(6) Uani 1 1 d . . . . .
C39 C 0.433(4) 1.071(3) 0.493(3) 0.051(5) Uani 1 1 d D . . . .
H33 H 0.512311 1.125377 0.498127 0.061 Uiso 1 1 calc R U . . .
C40 C 0.297(4) 1.079(3) 0.444(3) 0.053(6) Uani 1 1 d . . . . .
C41 C 0.363(5) 1.139(4) 0.633(3) 0.061(9) Uani 1 1 d . . . . .
H34 H 0.357618 1.130927 0.691893 0.092 Uiso 1 1 calc R U . . .
H35 H 0.421849 1.201543 0.641516 0.092 Uiso 1 1 calc R U . . .
H36 H 0.270075 1.130609 0.596355 0.092 Uiso 1 1 calc R U . . .
C42 C 0.568(4) 1.075(4) 0.637(3) 0.057(8) Uani 1 1 d . . . . .
H37 H 0.566458 1.071046 0.697853 0.085 Uiso 1 1 calc R U . . .
H38 H 0.602663 1.025841 0.606141 0.085 Uiso 1 1 calc R U . . .
H39 H 0.627443 1.137243 0.642606 0.085 Uiso 1 1 calc R U . . .
C43 C 0.311(5) 0.595(4) 0.666(4) 0.064(7) Uani 1 1 d . . . . .
H40 H 0.259212 0.562661 0.700609 0.077 Uiso 1 1 calc R U . . .
H41 H 0.350951 0.550218 0.630905 0.077 Uiso 1 1 calc R U . . .
C44 C 0.427(5) 0.677(3) 0.731(3) 0.057(7) Uani 1 1 d . U . . .
H42 H 0.491566 0.648431 0.762332 0.068 Uiso 1 1 calc R U . . .
H43 H 0.386993 0.708416 0.777484 0.068 Uiso 1 1 calc R U . . .
C45 C 0.107(4) 0.699(2) 0.653(2) 0.074(10) Uani 1 1 d G . . . .
C46 C 0.089(4) 0.688(3) 0.735(3) 0.102(18) Uani 1 1 d G . . . .
H44 H 0.115464 0.639385 0.755089 0.122 Uiso 1 1 calc R U . . .
C47 C 0.032(4) 0.748(3) 0.787(2) 0.081(13) Uani 1 1 d G . . . .
H45 H 0.019939 0.740463 0.843096 0.097 Uiso 1 1 calc R U . . .
C48 C -0.006(4) 0.819(2) 0.758(2) 0.086(16) Uani 1 1 d G . . . .
H46 H -0.044854 0.860054 0.793413 0.104 Uiso 1 1 calc R U . . .
C49 C 0.012(3) 0.8300(19) 0.676(2) 0.047(7) Uani 1 1 d G . . . .
H47 H -0.014123 0.878566 0.655721 0.057 Uiso 1 1 calc R U . . .
C50 C 0.069(4) 0.770(2) 0.6236(19) 0.077(14) Uani 1 1 d G . . . .
H48 H 0.081403 0.777488 0.567712 0.092 Uiso 1 1 calc R U . . .
C51 C 0.053(3) 0.513(2) 0.525(3) 0.075(8) Uani 1 1 d G U . . .
C52 C -0.011(3) 0.493(2) 0.434(3) 0.069(8) Uani 1 1 d G . . . .
H49 H 0.021384 0.534370 0.401616 0.082 Uiso 1 1 calc R U . . .
C53 C -0.121(3) 0.412(3) 0.389(2) 0.092(12) Uani 1 1 d G . . . .
H50 H -0.164055 0.398870 0.327036 0.111 Uiso 1 1 calc R U . . .
C54 C -0.167(3) 0.352(2) 0.437(3) 0.088(11) Uani 1 1 d G . . . .
H51 H -0.242614 0.296896 0.406264 0.106 Uiso 1 1 calc R U . . .
C55 C -0.104(4) 0.372(3) 0.528(3) 0.090(10) Uani 1 1 d G . . . .
H52 H -0.135733 0.330421 0.560072 0.108 Uiso 1 1 calc R U . . .
C56 C 0.006(4) 0.452(3) 0.572(2) 0.11(2) Uani 1 1 d G . . . .
H53 H 0.049707 0.465920 0.634653 0.134 Uiso 1 1 calc R U . . .
C57 C 0.619(3) 0.707(2) 0.6264(18) 0.054(7) Uani 1 1 d G . . . .
C58 C 0.660(3) 0.633(2) 0.6475(17) 0.066(10) Uani 1 1 d G . . . .
H54 H 0.642956 0.616049 0.698801 0.079 Uiso 1 1 calc R U . . .
C59 C 0.728(2) 0.5840(17) 0.5936(19) 0.048(7) Uani 1 1 d G . . . .
H55 H 0.756389 0.533482 0.608017 0.058 Uiso 1 1 calc R U . . .
C60 C 0.753(3) 0.6090(18) 0.5185(17) 0.046(6) Uani 1 1 d G U . . .
H56 H 0.799429 0.575468 0.481678 0.055 Uiso 1 1 calc R U . . .
C61 C 0.712(3) 0.683(2) 0.4974(16) 0.062(10) Uani 1 1 d G . . . .
H57 H 0.729036 0.700021 0.446121 0.074 Uiso 1 1 calc R U . . .
C62 C 0.644(3) 0.7320(18) 0.5513(19) 0.050(7) Uani 1 1 d G . . . .
H58 H 0.615602 0.782590 0.536903 0.060 Uiso 1 1 calc R U . . .
C63 C 0.667(2) 0.8412(18) 0.8009(15) 0.049(6) Uani 1 1 d G U . . .
C64 C 0.721(3) 0.9361(18) 0.8111(15) 0.051(6) Uani 1 1 d G . . . .
H59 H 0.684958 0.962413 0.766669 0.061 Uiso 1 1 calc R U . . .
C65 C 0.828(3) 0.9927(15) 0.8865(17) 0.051(6) Uani 1 1 d G . . . .
H60 H 0.865133 1.057582 0.893497 0.062 Uiso 1 1 calc R U . . .
C66 C 0.881(2) 0.954(2) 0.9516(14) 0.060(7) Uani 1 1 d G . . . .
H61 H 0.954524 0.992871 1.003058 0.072 Uiso 1 1 calc R U . . .
C67 C 0.827(3) 0.859(2) 0.9413(16) 0.061(8) Uani 1 1 d G . . . .
H62 H 0.863737 0.832994 0.985793 0.074 Uiso 1 1 calc R U . . .
C68 C 0.720(3) 0.8027(16) 0.8660(19) 0.058(7) Uani 1 1 d G . . . .
H63 H 0.683562 0.737824 0.858965 0.069 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 -0.0001 0.0005 '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'
O O 0.0017 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0004 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -0.4752 3.6043 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2592 0.5329 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0345 0.0306 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0440 0.0405 '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
P1 Au1 S1 174.7(4) . . ?
P1 Au1 Au2 89.8(3) . . ?
S1 Au1 Au2 94.8(3) . . ?
P2 Au2 S2 175.9(5) . . ?
P2 Au2 Au1 86.2(4) . . ?
S2 Au2 Au1 97.6(3) . . ?
P3 Au3 S3 177.0(5) . . ?
P3 Au3 Au4 86.9(4) . . ?
S3 Au3 Au4 95.9(4) . . ?
P4 Au4 S4 176.7(4) . . ?
P4 Au4 Au3 87.3(4) . . ?
S4 Au4 Au3 94.2(3) . . ?
N1 Zn1 O3 169.6(12) . . ?
N1 Zn1 O1 79.7(11) . . ?
O3 Zn1 O1 97.4(10) . . ?
N1 Zn1 N2 110.8(13) . . ?
O3 Zn1 N2 78.9(12) . . ?
O1 Zn1 N2 87.2(11) . . ?
N1 Zn1 S1 81.0(10) . . ?
O3 Zn1 S1 88.8(9) . . ?
O1 Zn1 S1 85.3(8) . . ?
N2 Zn1 S1 164.7(9) . . ?
N1 Zn1 S2 96.5(9) . . ?
O3 Zn1 S2 89.0(8) . . ?
O1 Zn1 S2 163.8(8) . . ?
N2 Zn1 S2 79.3(9) . . ?
S1 Zn1 S2 109.8(4) . . ?
N4 Zn2 N3 118.0(14) . . ?
N4 Zn2 O7 80.8(12) . . ?
N3 Zn2 O7 84.6(12) . . ?
N4 Zn2 O5 166.6(14) . . ?
N3 Zn2 O5 75.1(12) . . ?
O7 Zn2 O5 98.9(10) . . ?
N4 Zn2 S4 78.2(11) . . ?
N3 Zn2 S4 160.8(9) . . ?
O7 Zn2 S4 88.3(8) . . ?
O5 Zn2 S4 88.4(9) . . ?
N4 Zn2 S3 95.4(9) . . ?
N3 Zn2 S3 81.0(10) . . ?
O7 Zn2 S3 161.3(8) . . ?
O5 Zn2 S3 89.0(8) . . ?
S4 Zn2 S3 108.9(4) . . ?
C1 S1 Au1 103.2(13) . . ?
C1 S1 Zn1 92.2(14) . . ?
Au1 S1 Zn1 104.8(4) . . ?
C4 S2 Au2 106(2) . . ?
C4 S2 Zn1 96.0(16) . . ?
Au2 S2 Zn1 95.9(4) . . ?
C35 S3 Au3 102.4(15) . . ?
C35 S3 Zn2 93.0(15) . . ?
Au3 S3 Zn2 94.6(4) . . ?
C38 S4 Au4 109.5(13) . . ?
C38 S4 Zn2 94.1(15) . . ?
Au4 S4 Zn2 104.2(4) . . ?
C11 P1 C17 110.9(14) . . ?
C11 P1 C9 105(2) . . ?
C17 P1 C9 102.6(19) . . ?
C11 P1 Au1 111.7(11) . . ?
C17 P1 Au1 112.7(10) . . ?
C9 P1 Au1 113.8(16) . . ?
C23 P2 C29 103(2) . . ?
C23 P2 C10 105(2) . . ?
C29 P2 C10 101(2) . . ?
C23 P2 Au2 116.9(19) . . ?
C29 P2 Au2 112.6(13) . . ?
C10 P2 Au2 116.0(19) . . ?
C43 P3 C45 107(2) . . ?
C43 P3 C51 104(2) . . ?
C45 P3 C51 104.1(19) . . ?
C43 P3 Au3 117.2(16) . . ?
C45 P3 Au3 114.9(11) . . ?
C51 P3 Au3 108.6(14) . . ?
C63 P4 C57 105.6(14) . . ?
C63 P4 C44 105.4(19) . . ?
C57 P4 C44 102.3(19) . . ?
C63 P4 Au4 112.6(11) . . ?
C57 P4 Au4 113.6(11) . . ?
C44 P4 Au4 116.3(15) . . ?
C3 O1 Zn1 108(2) . . ?
C6 O3 Zn1 115(3) . . ?
C37 O5 Zn2 112(3) . . ?
C40 O7 Zn2 107(2) . . ?
C2 N1 Zn1 106(2) . . ?
C5 N2 Zn1 100(3) . . ?
C36 N3 Zn2 98(3) . . ?
C39 N4 Zn2 106(2) . . ?
C2 C1 S1 115(3) . . ?
N1 C2 C3 107(3) . . ?
N1 C2 C1 105(3) . . ?
C3 C2 C1 109(3) . . ?
O1 C3 O2 126(3) . . ?
O1 C3 C2 121(3) . . ?
O2 C3 C2 114(3) . . ?
C8 C4 C7 103(5) . . ?
C8 C4 C5 103(5) . . ?
C7 C4 C5 100(3) . . ?
C8 C4 S2 110(4) . . ?
C7 C4 S2 127(5) . . ?
C5 C4 S2 111(3) . . ?
N2 C5 C6 109(3) . . ?
N2 C5 C4 109(3) . . ?
C6 C5 C4 108(4) . . ?
O4 C6 O3 129(5) . . ?
O4 C6 C5 113(4) . . ?
O3 C6 C5 117(4) . . ?
C10 C9 P1 119(4) . . ?
C9 C10 P2 122(4) . . ?
C12 C11 C16 120.0 . . ?
C12 C11 P1 120.8(16) . . ?
C16 C11 P1 119.2(16) . . ?
C13 C12 C11 120.0 . . ?
C12 C13 C14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C11 120.0 . . ?
C18 C17 C22 120.0 . . ?
C18 C17 P1 115.7(14) . . ?
C22 C17 P1 122.7(14) . . ?
C19 C18 C17 120.0 . . ?
C18 C19 C20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C22 C21 C20 120.0 . . ?
C21 C22 C17 120.0 . . ?
C24 C23 C28 120.0 . . ?
C24 C23 P2 122(3) . . ?
C28 C23 P2 118(3) . . ?
C25 C24 C23 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C23 120.0 . . ?
C30 C29 C34 120.0 . . ?
C30 C29 P2 123(2) . . ?
C34 C29 P2 117(2) . . ?
C29 C30 C31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C34 120.0 . . ?
C33 C34 C29 120.0 . . ?
C36 C35 S3 113(3) . . ?
C35 C36 N3 114(4) . . ?
C35 C36 C37 120(4) . . ?
N3 C36 C37 104(3) . . ?
O5 C37 O6 123(4) . . ?
O5 C37 C36 116(4) . . ?
O6 C37 C36 118(4) . . ?
C39 C38 C42 106(3) . . ?
C39 C38 C41 112(3) . . ?
C42 C38 C41 111(4) . . ?
C39 C38 S4 112(3) . . ?
C42 C38 S4 112(3) . . ?
C41 C38 S4 103(3) . . ?
N4 C39 C38 106(3) . . ?
N4 C39 C40 107(3) . . ?
C38 C39 C40 108(3) . . ?
O7 C40 O8 123(4) . . ?
O7 C40 C39 123(4) . . ?
O8 C40 C39 114(4) . . ?
C44 C43 P3 115(4) . . ?
C43 C44 P4 125(4) . . ?
C46 C45 C50 120.0 . . ?
C46 C45 P3 121.1(17) . . ?
C50 C45 P3 118.8(17) . . ?
C47 C46 C45 120.0 . . ?
C46 C47 C48 120.0 . . ?
C47 C48 C49 120.0 . . ?
C50 C49 C48 120.0 . . ?
C49 C50 C45 120.0 . . ?
C52 C51 C56 120.0 . . ?
C52 C51 P3 120(2) . . ?
C56 C51 P3 120(2) . . ?
C51 C52 C53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C53 C54 C55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C55 C56 C51 120.0 . . ?
C58 C57 C62 120.0 . . ?
C58 C57 P4 119.1(16) . . ?
C62 C57 P4 120.9(16) . . ?
C57 C58 C59 120.0 . . ?
C58 C59 C60 120.0 . . ?
C61 C60 C59 120.0 . . ?
C60 C61 C62 120.0 . . ?
C61 C62 C57 120.0 . . ?
C64 C63 C68 120.0 . . ?
C64 C63 P4 117.4(16) . . ?
C68 C63 P4 122.5(16) . . ?
C63 C64 C65 120.0 . . ?
C64 C65 C66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C66 C67 C68 120.0 . . ?
C67 C68 C63 120.0 . . ?
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 P1 2.271(11) . ?
Au1 S1 2.324(10) . ?
Au1 Au2 3.020(2) . ?
Au2 P2 2.229(16) . ?
Au2 S2 2.321(14) . ?
Au3 P3 2.239(13) . ?
Au3 S3 2.291(12) . ?
Au3 Au4 2.964(3) . ?
Au4 P4 2.252(12) . ?
Au4 S4 2.333(11) . ?
Zn1 N1 2.05(3) . ?
Zn1 O3 2.11(3) . ?
Zn1 O1 2.15(3) . ?
Zn1 N2 2.20(4) . ?
Zn1 S1 2.548(12) . ?
Zn1 S2 2.608(11) . ?
Zn2 N4 2.04(4) . ?
Zn2 N3 2.13(4) . ?
Zn2 O7 2.14(3) . ?
Zn2 O5 2.16(3) . ?
Zn2 S4 2.504(12) . ?
Zn2 S3 2.591(12) . ?
S1 C1 1.81(4) . ?
S2 C4 1.82(6) . ?
S3 C35 1.73(5) . ?
S4 C38 1.85(4) . ?
P1 C11 1.80(2) . ?
P1 C17 1.81(2) . ?
P1 C9 1.83(5) . ?
P2 C23 1.81(3) . ?
P2 C29 1.81(3) . ?
P2 C10 1.95(6) . ?
P3 C43 1.81(5) . ?
P3 C45 1.82(2) . ?
P3 C51 1.87(3) . ?
P4 C63 1.80(2) . ?
P4 C57 1.81(2) . ?
P4 C44 1.86(5) . ?
O1 C3 1.28(4) . ?
O2 C3 1.28(5) . ?
O3 C6 1.22(5) . ?
O4 C6 1.20(5) . ?
O5 C37 1.20(6) . ?
O6 C37 1.23(6) . ?
O7 C40 1.28(5) . ?
O8 C40 1.34(5) . ?
N1 C2 1.47(3) . ?
N2 C5 1.53(3) . ?
N3 C36 1.48(3) . ?
N4 C39 1.48(3) . ?
C1 C2 1.53(6) . ?
C2 C3 1.52(5) . ?
C4 C8 1.49(9) . ?
C4 C7 1.60(8) . ?
C4 C5 1.65(6) . ?
C5 C6 1.60(7) . ?
C9 C10 1.38(8) . ?
C11 C12 1.3900 . ?
C11 C16 1.3900 . ?
C12 C13 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C18 C19 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C23 C24 1.3900 . ?
C23 C28 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C35 C36 1.48(6) . ?
C36 C37 1.51(6) . ?
C38 C39 1.49(6) . ?
C38 C42 1.52(5) . ?
C38 C41 1.54(6) . ?
C39 C40 1.52(5) . ?
C43 C44 1.50(7) . ?
C45 C46 1.3900 . ?
C45 C50 1.3900 . ?
C46 C47 1.3900 . ?
C47 C48 1.3900 . ?
C48 C49 1.3900 . ?
C49 C50 1.3900 . ?
C51 C52 1.3900 . ?
C51 C56 1.3900 . ?
C52 C53 1.3900 . ?
C53 C54 1.3900 . ?
C54 C55 1.3900 . ?
C55 C56 1.3900 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C58 C59 1.3900 . ?
C59 C60 1.3900 . ?
C60 C61 1.3900 . ?
C61 C62 1.3900 . ?
C63 C64 1.3900 . ?
C63 C68 1.3900 . ?
C64 C65 1.3900 . ?
C65 C66 1.3900 . ?
C66 C67 1.3900 . ?
C67 C68 1.3900 . ?
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 C1 C2 -119(2) . . . . ?
Zn1 S1 C1 C2 -13(3) . . . . ?
Zn1 N1 C2 C3 44(4) . . . . ?
Zn1 N1 C2 C1 -71(3) . . . . ?
S1 C1 C2 N1 53(3) . . . . ?
S1 C1 C2 C3 -61(3) . . . . ?
Zn1 O1 C3 O2 174(3) . . . . ?
Zn1 O1 C3 C2 -3(4) . . . . ?
N1 C2 C3 O1 -28(5) . . . . ?
C1 C2 C3 O1 85(4) . . . . ?
N1 C2 C3 O2 155(3) . . . . ?
C1 C2 C3 O2 -92(4) . . . . ?
Au2 S2 C4 C8 152(4) . . . . ?
Zn1 S2 C4 C8 -110(4) . . . . ?
Au2 S2 C4 C7 27(4) . . . . ?
Zn1 S2 C4 C7 125(4) . . . . ?
Au2 S2 C4 C5 -95(4) . . . . ?
Zn1 S2 C4 C5 3(4) . . . . ?
Zn1 N2 C5 C6 -44(3) . . . . ?
Zn1 N2 C5 C4 73(4) . . . . ?
C8 C4 C5 N2 68(6) . . . . ?
C7 C4 C5 N2 175(4) . . . . ?
S2 C4 C5 N2 -49(5) . . . . ?
C8 C4 C5 C6 -174(5) . . . . ?
C7 C4 C5 C6 -67(5) . . . . ?
S2 C4 C5 C6 69(4) . . . . ?
Zn1 O3 C6 O4 175(5) . . . . ?
Zn1 O3 C6 C5 7(5) . . . . ?
N2 C5 C6 O4 -142(4) . . . . ?
C4 C5 C6 O4 100(5) . . . . ?
N2 C5 C6 O3 28(5) . . . . ?
C4 C5 C6 O3 -90(5) . . . . ?
C11 P1 C9 C10 169(4) . . . . ?
C17 P1 C9 C10 53(4) . . . . ?
Au1 P1 C9 C10 -69(4) . . . . ?
P1 C9 C10 P2 56(6) . . . . ?
C17 P1 C11 C12 -106.3(18) . . . . ?
C9 P1 C11 C12 144(2) . . . . ?
Au1 P1 C11 C12 20.2(19) . . . . ?
C17 P1 C11 C16 71.3(18) . . . . ?
C9 P1 C11 C16 -39(2) . . . . ?
Au1 P1 C11 C16 -162.2(12) . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
P1 C11 C12 C13 178(2) . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C11 0.0 . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
P1 C11 C16 C15 -178(2) . . . . ?
C11 P1 C17 C18 96(2) . . . . ?
C9 P1 C17 C18 -152(2) . . . . ?
Au1 P1 C17 C18 -30(2) . . . . ?
C11 P1 C17 C22 -69(2) . . . . ?
C9 P1 C17 C22 42(2) . . . . ?
Au1 P1 C17 C22 164.9(13) . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
P1 C17 C18 C19 -166(2) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C17 0.0 . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
P1 C17 C22 C21 165(2) . . . . ?
C29 P2 C23 C24 -120(3) . . . . ?
C10 P2 C23 C24 134(3) . . . . ?
Au2 P2 C23 C24 4(3) . . . . ?
C29 P2 C23 C28 58(3) . . . . ?
C10 P2 C23 C28 -47(3) . . . . ?
Au2 P2 C23 C28 -178(2) . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
P2 C23 C24 C25 179(4) . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C24 C23 C28 C27 0.0 . . . . ?
P2 C23 C28 C27 -179(3) . . . . ?
C23 P2 C29 C30 -74(3) . . . . ?
C10 P2 C29 C30 35(3) . . . . ?
Au2 P2 C29 C30 159.4(18) . . . . ?
C23 P2 C29 C34 103(3) . . . . ?
C10 P2 C29 C34 -148(3) . . . . ?
Au2 P2 C29 C34 -24(3) . . . . ?
C34 C29 C30 C31 0.0 . . . . ?
P2 C29 C30 C31 177(3) . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C29 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
P2 C29 C34 C33 -177(3) . . . . ?
Au3 S3 C35 C36 87(3) . . . . ?
Zn2 S3 C35 C36 -8(3) . . . . ?
S3 C35 C36 N3 55(5) . . . . ?
S3 C35 C36 C37 -69(5) . . . . ?
Zn2 N3 C36 C35 -72(4) . . . . ?
Zn2 N3 C36 C37 60(4) . . . . ?
Zn2 O5 C37 O6 164(4) . . . . ?
Zn2 O5 C37 C36 4(5) . . . . ?
C35 C36 C37 O5 83(6) . . . . ?
N3 C36 C37 O5 -46(6) . . . . ?
C35 C36 C37 O6 -78(6) . . . . ?
N3 C36 C37 O6 153(5) . . . . ?
Au4 S4 C38 C39 112(2) . . . . ?
Zn2 S4 C38 C39 5(3) . . . . ?
Au4 S4 C38 C42 -8(4) . . . . ?
Zn2 S4 C38 C42 -115(3) . . . . ?
Au4 S4 C38 C41 -127(3) . . . . ?
Zn2 S4 C38 C41 126(3) . . . . ?
Zn2 N4 C39 C38 74(3) . . . . ?
Zn2 N4 C39 C40 -41(4) . . . . ?
C42 C38 C39 N4 77(4) . . . . ?
C41 C38 C39 N4 -162(3) . . . . ?
S4 C38 C39 N4 -46(4) . . . . ?
C42 C38 C39 C40 -169(4) . . . . ?
C41 C38 C39 C40 -48(5) . . . . ?
S4 C38 C39 C40 68(4) . . . . ?
Zn2 O7 C40 O8 179(4) . . . . ?
Zn2 O7 C40 C39 4(5) . . . . ?
N4 C39 C40 O7 25(6) . . . . ?
C38 C39 C40 O7 -88(5) . . . . ?
N4 C39 C40 O8 -150(4) . . . . ?
C38 C39 C40 O8 96(4) . . . . ?
C45 P3 C43 C44 -64(4) . . . . ?
C51 P3 C43 C44 -174(3) . . . . ?
Au3 P3 C43 C44 66(4) . . . . ?
P3 C43 C44 P4 -47(5) . . . . ?
C63 P4 C44 C43 -174(3) . . . . ?
C57 P4 C44 C43 -64(4) . . . . ?
Au4 P4 C44 C43 61(4) . . . . ?
C43 P3 C45 C46 -29(3) . . . . ?
C51 P3 C45 C46 81(3) . . . . ?
Au3 P3 C45 C46 -160.9(19) . . . . ?
C43 P3 C45 C50 147(3) . . . . ?
C51 P3 C45 C50 -103(2) . . . . ?
Au3 P3 C45 C50 15(3) . . . . ?
C50 C45 C46 C47 0.0 . . . . ?
P3 C45 C46 C47 176(3) . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C46 C47 C48 C49 0.0 . . . . ?
C47 C48 C49 C50 0.0 . . . . ?
C48 C49 C50 C45 0.0 . . . . ?
C46 C45 C50 C49 0.0 . . . . ?
P3 C45 C50 C49 -176(3) . . . . ?
C43 P3 C51 C52 -144(2) . . . . ?
C45 P3 C51 C52 104(2) . . . . ?
Au3 P3 C51 C52 -19(2) . . . . ?
C43 P3 C51 C56 41(2) . . . . ?
C45 P3 C51 C56 -71(2) . . . . ?
Au3 P3 C51 C56 166.2(14) . . . . ?
C56 C51 C52 C53 0.0 . . . . ?
P3 C51 C52 C53 -175(3) . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 C51 0.0 . . . . ?
C52 C51 C56 C55 0.0 . . . . ?
P3 C51 C56 C55 175(3) . . . . ?
C63 P4 C57 C58 72.4(19) . . . . ?
C44 P4 C57 C58 -38(2) . . . . ?
Au4 P4 C57 C58 -163.7(12) . . . . ?
C63 P4 C57 C62 -106.2(19) . . . . ?
C44 P4 C57 C62 144(2) . . . . ?
Au4 P4 C57 C62 18(2) . . . . ?
C62 C57 C58 C59 0.0 . . . . ?
P4 C57 C58 C59 -179(2) . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C61 0.0 . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C61 C62 C57 0.0 . . . . ?
C58 C57 C62 C61 0.0 . . . . ?
P4 C57 C62 C61 179(2) . . . . ?
C57 P4 C63 C64 101.4(16) . . . . ?
C44 P4 C63 C64 -150.8(18) . . . . ?
Au4 P4 C63 C64 -23.1(16) . . . . ?
C57 P4 C63 C68 -75.8(18) . . . . ?
C44 P4 C63 C68 32(2) . . . . ?
Au4 P4 C63 C68 159.7(11) . . . . ?
C68 C63 C64 C65 0.0 . . . . ?
P4 C63 C64 C65 -177.3(18) . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C63 0.0 . . . . ?
C64 C63 C68 C67 0.0 . . . . ?
P4 C63 C68 C67 177.1(19) . . . . ?
