#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:54:47 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250309 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/35/7703589.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_7703589
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
'0.5(C35 H40 Au2 N2 O4 P2 S2 Zn), 0.5(C31 H32 Au2 N2 O4 P2 S2 Zn), 6[H2 O]'
_chemical_formula_sum            'C33 H48 Au2 N2 O10 P2 S2 Zn'
_chemical_formula_weight         1218.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 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                90
_cell_angle_beta                 111.579(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.4269(4)
_cell_length_b                   12.2826(3)
_cell_length_c                   20.0060(4)
_cell_measurement_reflns_used    8947
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.05
_cell_volume                     4210.6(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, 1995)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'Mercury 4.1.3'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0751
_diffrn_reflns_av_unetI/netI     0.1494
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            28053
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.055
_diffrn_source                   'Rigaku FR-E SuperBright'
_exptl_absorpt_coefficient_mu    7.744
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_description       plate
_exptl_crystal_F_000             2360
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.010
_refine_diff_density_max         1.916
_refine_diff_density_min         -1.394
_refine_diff_density_rms         0.199
_refine_ls_abs_structure_details
;
 Flack x determined using 2833 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.087(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     732
_refine_ls_number_reflns         14622
_refine_ls_number_restraints     814
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1237
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0497P)²+32.9100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1341
_refine_ls_wR_factor_ref         0.1521
_reflns_Friedel_coverage         0.882
_reflns_Friedel_fraction_full    0.975
_reflns_Friedel_fraction_max     0.975
_reflns_number_gt                9548
_reflns_number_total             14622
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00440e2.cif
_cod_data_source_block           1zn
_cod_depositor_comments
'Adding full bibliography for 7703586--7703589.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7703589
_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   0.511
_shelx_estimated_absorpt_t_max   0.511
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, 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 0.87283(8) 0.726264 0.06629(7) 0.0314(4) Uani 1 1 d . . . . .
Au2 Au 0.73011(7) 0.60104(16) -0.04775(7) 0.0324(3) Uani 1 1 d . . . . .
Au3 Au 0.62143(8) 0.53736(10) 0.44070(7) 0.0395(4) Uani 1 1 d . . . . .
Au4 Au 0.76205(8) 0.65915(17) 0.55890(7) 0.0448(4) Uani 1 1 d . . . . .
Zn1 Zn 0.6758(2) 0.7819(4) 0.0758(2) 0.0387(10) Uani 1 1 d . . . . .
Zn2 Zn 0.8218(3) 0.4765(5) 0.4413(3) 0.0651(14) Uani 1 1 d . . . . .
S1 S 0.8128(5) 0.8664(7) 0.1024(4) 0.0298(18) Uani 1 1 d . . . . .
S2 S 0.6593(4) 0.7577(6) -0.0509(4) 0.0290(18) Uani 1 1 d . . . . .
S3 S 0.6811(6) 0.3895(8) 0.4083(5) 0.047(2) Uani 1 1 d . . . . .
S4 S 0.8275(6) 0.4961(8) 0.5672(5) 0.058(3) Uani 1 1 d . . . . .
P1 P 0.9430(5) 0.5958(8) 0.0362(4) 0.0285(18) Uani 1 1 d . . . . .
P2 P 0.8034(5) 0.4509(7) -0.0458(4) 0.0280(19) Uani 1 1 d . . . . .
P3 P 0.5515(5) 0.6686(8) 0.4696(5) 0.038(2) Uani 1 1 d . . . . .
P4 P 0.6917(6) 0.8102(8) 0.5559(5) 0.039(2) Uani 1 1 d . . . . .
O1 O 0.7372(12) 0.6356(16) 0.1288(10) 0.038(4) Uani 1 1 d . . . . .
O2 O 0.8383(12) 0.5943(18) 0.2256(11) 0.042(5) Uani 1 1 d . . . . .
O3 O 0.6031(13) 0.9201(18) 0.0370(11) 0.046(4) Uani 1 1 d . . . . .
O4 O 0.4927(13) 0.9654(17) -0.0563(11) 0.046(5) Uani 1 1 d . . . . .
O5 O 0.7654(15) 0.619(2) 0.3863(12) 0.061(5) Uani 1 1 d . . . . .
O6 O 0.6576(16) 0.655(2) 0.2821(13) 0.065(6) Uani 1 1 d . . . . .
O7 O 0.9000(18) 0.337(3) 0.4814(15) 0.090(7) Uani 1 1 d . . . . .
O8 O 1.010(2) 0.306(3) 0.5743(17) 0.123(11) Uani 1 1 d . . . . .
N1 N 0.7058(12) 0.817(2) 0.1858(12) 0.037(4) Uani 1 1 d D . . . .
H1A H 0.703427 0.889220 0.193498 0.045 Uiso 1 1 calc R U . . .
H1B H 0.674199 0.780602 0.204260 0.045 Uiso 1 1 calc R U . . .
N2 N 0.5634(13) 0.7165(19) 0.0469(11) 0.041(4) Uani 1 1 d D . . . .
H2A H 0.563512 0.642849 0.041818 0.050 Uiso 1 1 calc R U . . .
H2B H 0.541301 0.733840 0.079386 0.050 Uiso 1 1 calc R U . . .
N3 N 0.7958(17) 0.434(3) 0.3324(14) 0.063(5) Uani 1 1 d D . . . .
H3A H 0.830530 0.464045 0.315245 0.075 Uiso 1 1 calc R U . . .
H3B H 0.795633 0.360289 0.326792 0.075 Uiso 1 1 calc R U . . .
N4 N 0.9373(17) 0.551(3) 0.4862(14) 0.081(6) Uani 1 1 d D . . . .
H4A H 0.965774 0.536154 0.458645 0.098 Uiso 1 1 calc R U . . .
H4B H 0.933373 0.624823 0.489441 0.098 Uiso 1 1 calc R U . . .
C1 C 0.8465(16) 0.849(2) 0.2018(14) 0.028(5) Uani 1 1 d . . . . .
C2 C 0.7870(14) 0.776(2) 0.2170(15) 0.033(4) Uani 1 1 d D . . . .
H1 H 0.801879 0.771538 0.270354 0.040 Uiso 1 1 calc R U . . .
C3 C 0.7878(18) 0.663(3) 0.1895(16) 0.029(4) Uani 1 1 d . . . . .
C4 C 0.8430(17) 0.968(2) 0.2316(15) 0.040(6) Uani 1 1 d . . . . .
H2 H 0.789491 0.995554 0.210758 0.060 Uiso 1 1 calc R U . . .
H3 H 0.859424 0.965167 0.284076 0.060 Uiso 1 1 calc R U . . .
H4 H 0.877978 1.016092 0.218467 0.060 Uiso 1 1 calc R U . . .
C6 C 0.5553(15) 0.730(2) -0.0847(14) 0.031(5) Uani 1 1 d . . . . .
C5 C 0.9259(14) 0.814(2) 0.2344(14) 0.038(6) Uani 1 1 d . . . . .
H5 H 0.959872 0.865212 0.221970 0.057 Uiso 1 1 calc R U . . .
H6 H 0.940862 0.811955 0.286697 0.057 Uiso 1 1 calc R U . . .
H7 H 0.931373 0.741344 0.216748 0.057 Uiso 1 1 calc R U . . .
C7 C 0.5224(16) 0.773(2) -0.0250(13) 0.038(4) Uani 1 1 d D . . . .
H8 H 0.464889 0.760315 -0.041740 0.045 Uiso 1 1 calc R U . . .
C8 C 0.539(2) 0.893(2) -0.0140(16) 0.038(5) Uani 1 1 d . . . . .
C9 C 0.5405(15) 0.607(2) -0.0886(16) 0.040(6) Uani 1 1 d . . . . .
H9 H 0.570221 0.573762 -0.041915 0.061 Uiso 1 1 calc R U . . .
H10 H 0.484684 0.593162 -0.100715 0.061 Uiso 1 1 calc R U . . .
H11 H 0.556995 0.574848 -0.125579 0.061 Uiso 1 1 calc R U . . .
C10 C 0.5090(15) 0.776(3) -0.1566(14) 0.048(7) Uani 1 1 d . . . . .
H12 H 0.517273 0.854536 -0.156023 0.072 Uiso 1 1 calc R U . . .
H13 H 0.525848 0.742242 -0.193015 0.072 Uiso 1 1 calc R U . . .
H14 H 0.453537 0.760556 -0.168151 0.072 Uiso 1 1 calc R U . . .
C11 C 0.8972(19) 0.460(2) 0.0234(16) 0.036(6) Uani 1 1 d . . . . .
H15 H 0.932298 0.407285 0.012552 0.043 Uiso 1 1 calc R U . . .
H16 H 0.892811 0.436671 0.069178 0.043 Uiso 1 1 calc R U . . .
C12 C 1.0376(9) 0.5720(18) 0.1073(9) 0.034(5) Uani 1 1 d G U . . .
C13 C 1.0357(10) 0.5575(18) 0.1755(11) 0.039(6) Uani 1 1 d G . . . .
H17 H 0.987423 0.561290 0.182458 0.046 Uiso 1 1 calc R U . . .
C14 C 1.1044(12) 0.538(2) 0.2336(8) 0.059(8) Uani 1 1 d G . . . .
H18 H 1.103092 0.527661 0.280286 0.070 Uiso 1 1 calc R U . . .
C15 C 1.1750(10) 0.532(2) 0.2235(9) 0.046(7) Uani 1 1 d G . . . .
H19 H 1.221936 0.518370 0.263216 0.056 Uiso 1 1 calc R U . . .
C16 C 1.1769(9) 0.546(2) 0.1552(11) 0.050(7) Uani 1 1 d G . . . .
H20 H 1.225112 0.542707 0.148317 0.060 Uiso 1 1 calc R U . . .
C17 C 1.1082(11) 0.5665(19) 0.0971(8) 0.041(7) Uani 1 1 d G . . . .
H21 H 1.109443 0.576336 0.050488 0.049 Uiso 1 1 calc R U . . .
C18 C 0.9601(13) 0.6286(16) -0.0452(9) 0.038(6) Uani 1 1 d G . . . .
C19 C 0.9342(13) 0.7291(14) -0.0770(11) 0.052(9) Uani 1 1 d G . . . .
H22 H 0.909980 0.778761 -0.055311 0.062 Uiso 1 1 calc R U . . .
C20 C 0.9437(14) 0.7568(14) -0.1407(11) 0.050(9) Uani 1 1 d G . . . .
H23 H 0.925951 0.825415 -0.162476 0.061 Uiso 1 1 calc R U . . .
C21 C 0.9790(14) 0.6841(16) -0.1725(9) 0.055(9) Uani 1 1 d G . . . .
H24 H 0.985524 0.703007 -0.215979 0.066 Uiso 1 1 calc R U . . .
C22 C 1.0049(12) 0.5836(15) -0.1406(10) 0.041(7) Uani 1 1 d G . . . .
H25 H 1.029125 0.533944 -0.162319 0.049 Uiso 1 1 calc R U . . .
C23 C 0.9955(12) 0.5559(13) -0.0769(10) 0.037(7) Uani 1 1 d G . . . .
H26 H 1.013156 0.487288 -0.055154 0.045 Uiso 1 1 calc R U . . .
C24 C 0.8208(11) 0.4315(15) -0.1292(8) 0.027(5) Uani 1 1 d G . . . .
C25 C 0.7859(12) 0.4981(15) -0.1886(10) 0.038(7) Uani 1 1 d G . . . .
H27 H 0.752526 0.555709 -0.186219 0.046 Uiso 1 1 calc R U . . .
C26 C 0.7998(13) 0.4804(16) -0.2515(8) 0.059(10) Uani 1 1 d G . . . .
H28 H 0.775933 0.525909 -0.292062 0.070 Uiso 1 1 calc R U . . .
C27 C 0.8486(13) 0.3961(17) -0.2550(8) 0.039(7) Uani 1 1 d G . . . .
H29 H 0.858096 0.383989 -0.297939 0.047 Uiso 1 1 calc R U . . .
C28 C 0.8835(11) 0.3295(14) -0.1956(10) 0.043(8) Uani 1 1 d G . . . .
H30 H 0.916852 0.271868 -0.197975 0.051 Uiso 1 1 calc R U . . .
C29 C 0.8696(11) 0.3472(14) -0.1327(8) 0.028(6) Uani 1 1 d G . . . .
H31 H 0.893445 0.301667 -0.092132 0.034 Uiso 1 1 calc R U . . .
C30 C 0.7646(13) 0.3221(14) -0.0325(11) 0.039(6) Uani 1 1 d G . . . .
C31 C 0.8115(10) 0.2413(18) 0.0108(11) 0.050(8) Uani 1 1 d G . . . .
H32 H 0.865606 0.254211 0.035797 0.060 Uiso 1 1 calc R U . . .
C32 C 0.7792(12) 0.1416(16) 0.0177(10) 0.052(8) Uani 1 1 d G . . . .
H33 H 0.811199 0.086432 0.047341 0.063 Uiso 1 1 calc R U . . .
C33 C 0.7000(13) 0.1228(14) -0.0188(11) 0.048(8) Uani 1 1 d G . . . .
H34 H 0.677908 0.054655 -0.014137 0.058 Uiso 1 1 calc R U . . .
C34 C 0.6531(10) 0.2036(19) -0.0622(10) 0.060(9) Uani 1 1 d G . . . .
H35 H 0.599025 0.190657 -0.087160 0.072 Uiso 1 1 calc R U . . .
C35 C 0.6855(12) 0.3032(16) -0.0691(10) 0.043(7) Uani 1 1 d G . . . .
H36 H 0.653431 0.358438 -0.098705 0.052 Uiso 1 1 calc R U . . .
C36 C 0.664(2) 0.400(3) 0.3171(18) 0.060(8) Uani 1 1 d . . . . .
H37 H 0.670475 0.326967 0.299083 0.073 Uiso 1 1 calc R U . . .
H38 H 0.609598 0.422873 0.291656 0.073 Uiso 1 1 calc R U . . .
C37 C 0.7175(19) 0.480(3) 0.2968(18) 0.059(6) Uani 1 1 d D . . . .
H39 H 0.703461 0.479110 0.243495 0.070 Uiso 1 1 calc R U . . .
C38 C 0.711(3) 0.601(3) 0.323(2) 0.057(6) Uani 1 1 d . . . . .
C39 C 0.932(2) 0.527(4) 0.606(2) 0.085(10) Uani 1 1 d . . . . .
H40 H 0.938410 0.605342 0.618619 0.101 Uiso 1 1 calc R U . . .
H41 H 0.955193 0.485384 0.651758 0.101 Uiso 1 1 calc R U . . .
C40 C 0.974(2) 0.501(3) 0.5596(17) 0.083(7) Uani 1 1 d D . . . .
H42 H 1.030540 0.520085 0.582373 0.099 Uiso 1 1 calc R U . . .
C41 C 0.961(3) 0.371(4) 0.540(2) 0.084(8) Uani 1 1 d . . . . .
C42 C 0.5932(19) 0.802(3) 0.4812(17) 0.038(6) Uani 1 1 d . . . . .
H43 H 0.557216 0.853354 0.491404 0.046 Uiso 1 1 calc R U . . .
H44 H 0.598275 0.824871 0.435691 0.046 Uiso 1 1 calc R U . . .
C43 C 0.4623(10) 0.696(2) 0.3933(10) 0.046(6) Uani 1 1 d G . . . .
C44 C 0.4661(10) 0.702(2) 0.3253(12) 0.058(7) Uani 1 1 d G U . . .
H45 H 0.514526 0.691685 0.319511 0.070 Uiso 1 1 calc R U . . .
C45 C 0.3990(13) 0.723(2) 0.2657(9) 0.055(7) Uani 1 1 d G U . . .
H46 H 0.401641 0.727666 0.219269 0.067 Uiso 1 1 calc R U . . .
C46 C 0.3281(11) 0.739(2) 0.2742(9) 0.058(9) Uani 1 1 d G . . . .
H47 H 0.282312 0.753259 0.233504 0.070 Uiso 1 1 calc R U . . .
C47 C 0.3243(10) 0.732(2) 0.3422(11) 0.056(8) Uani 1 1 d G . . . .
H48 H 0.275866 0.742869 0.347980 0.067 Uiso 1 1 calc R U . . .
C48 C 0.3914(13) 0.711(2) 0.4017(9) 0.054(8) Uani 1 1 d G . . . .
H49 H 0.388752 0.706887 0.448223 0.065 Uiso 1 1 calc R U . . .
C49 C 0.5332(13) 0.6347(17) 0.5507(9) 0.038(5) Uani 1 1 d G . . . .
C50 C 0.4949(13) 0.7046(14) 0.5815(11) 0.046(6) Uani 1 1 d G U . . .
H50 H 0.476523 0.773078 0.559844 0.055 Uiso 1 1 calc R U . . .
C51 C 0.4836(13) 0.6742(17) 0.6439(11) 0.060(9) Uani 1 1 d G . . . .
H51 H 0.457451 0.722011 0.664877 0.072 Uiso 1 1 calc R U . . .
C52 C 0.5106(14) 0.5740(18) 0.6755(10) 0.057(9) Uani 1 1 d G . . . .
H52 H 0.502831 0.553272 0.718165 0.069 Uiso 1 1 calc R U . . .
C53 C 0.5489(13) 0.5041(15) 0.6448(11) 0.050(8) Uani 1 1 d G . . . .
H53 H 0.567284 0.435598 0.666421 0.060 Uiso 1 1 calc R U . . .
C54 C 0.5602(12) 0.5344(16) 0.5824(11) 0.047(7) Uani 1 1 d G . . . .
H54 H 0.586357 0.486663 0.561388 0.056 Uiso 1 1 calc R U . . .
C55 C 0.6758(14) 0.8342(19) 0.6395(9) 0.050(7) Uani 1 1 d G . . . .
C56 C 0.6227(12) 0.9115(18) 0.6439(9) 0.050(8) Uani 1 1 d G . . . .
H55 H 0.592622 0.951966 0.602461 0.060 Uiso 1 1 calc R U . . .
C57 C 0.6135(12) 0.9297(16) 0.7089(11) 0.044(7) Uani 1 1 d G . . . .
H56 H 0.577177 0.982549 0.711917 0.053 Uiso 1 1 calc R U . . .
C58 C 0.6575(13) 0.8705(17) 0.7695(9) 0.049(7) Uani 1 1 d G . . . .
H57 H 0.651188 0.882957 0.813954 0.058 Uiso 1 1 calc R U . . .
C59 C 0.7106(13) 0.7932(17) 0.7651(9) 0.046(7) Uani 1 1 d G . . . .
H58 H 0.740643 0.752783 0.806537 0.056 Uiso 1 1 calc R U . . .
C60 C 0.7198(13) 0.7750(16) 0.7001(11) 0.049(7) Uani 1 1 d G . . . .
H59 H 0.756090 0.722199 0.697082 0.059 Uiso 1 1 calc R U . . .
C61 C 0.7304(14) 0.9378(16) 0.5350(13) 0.044(6) Uani 1 1 d G . . . .
C62 C 0.6829(11) 1.019(2) 0.4929(13) 0.072(11) Uani 1 1 d G . . . .
H60 H 0.628433 1.006888 0.469476 0.086 Uiso 1 1 calc R U . . .
C63 C 0.7150(14) 1.1184(18) 0.4849(13) 0.093(15) Uani 1 1 d G . . . .
H61 H 0.682583 1.173959 0.456064 0.112 Uiso 1 1 calc R U . . .
C64 C 0.7947(15) 1.1363(17) 0.5191(14) 0.074(11) Uani 1 1 d G . . . .
H62 H 0.816667 1.204137 0.513657 0.088 Uiso 1 1 calc R U . . .
C65 C 0.8422(11) 1.055(2) 0.5613(13) 0.094(15) Uani 1 1 d G . . . .
H63 H 0.896602 1.067243 0.584663 0.113 Uiso 1 1 calc R U . . .
C66 C 0.8100(14) 0.9557(19) 0.5692(12) 0.061(9) Uani 1 1 d G . . . .
H64 H 0.842453 0.900171 0.598077 0.073 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 0.0033 0.0016 '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 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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 174.6(3) . . ?
P1 Au1 Au2 82.5(2) . . ?
S1 Au1 Au2 102.8(2) . . ?
P2 Au2 S2 177.7(3) . . ?
P2 Au2 Au1 92.9(2) . . ?
S2 Au2 Au1 85.8(2) . . ?
P3 Au3 S3 173.5(3) . . ?
P3 Au3 Au4 81.9(2) . . ?
S3 Au3 Au4 103.6(3) . . ?
P4 Au4 S4 174.7(3) . . ?
P4 Au4 Au3 93.7(3) . . ?
S4 Au4 Au3 84.7(3) . . ?
N2 Zn1 N1 102.7(9) . . ?
N2 Zn1 O3 77.3(9) . . ?
N1 Zn1 O3 96.2(8) . . ?
N2 Zn1 O1 95.9(8) . . ?
N1 Zn1 O1 76.6(8) . . ?
O3 Zn1 O1 168.9(7) . . ?
N2 Zn1 S2 86.2(6) . . ?
N1 Zn1 S2 171.0(7) . . ?
O3 Zn1 S2 84.1(6) . . ?
O1 Zn1 S2 104.3(5) . . ?
N2 Zn1 S1 176.0(6) . . ?
N1 Zn1 S1 81.0(6) . . ?
O3 Zn1 S1 100.9(6) . . ?
O1 Zn1 S1 86.5(6) . . ?
S2 Zn1 S1 90.1(3) . . ?
N3 Zn2 O5 77.8(10) . . ?
N3 Zn2 N4 110.2(11) . . ?
O5 Zn2 N4 94.9(11) . . ?
N3 Zn2 O7 93.0(11) . . ?
O5 Zn2 O7 164.6(9) . . ?
N4 Zn2 O7 76.6(12) . . ?
N3 Zn2 S4 166.6(9) . . ?
O5 Zn2 S4 106.0(6) . . ?
N4 Zn2 S4 82.6(7) . . ?
O7 Zn2 S4 85.9(8) . . ?
N3 Zn2 S3 79.2(8) . . ?
O5 Zn2 S3 87.4(7) . . ?
N4 Zn2 S3 170.5(7) . . ?
O7 Zn2 S3 103.1(9) . . ?
S4 Zn2 S3 88.0(3) . . ?
C1 S1 Au1 103.8(10) . . ?
C1 S1 Zn1 95.2(9) . . ?
Au1 S1 Zn1 100.4(3) . . ?
C6 S2 Au2 111.1(10) . . ?
C6 S2 Zn1 96.9(9) . . ?
Au2 S2 Zn1 102.6(3) . . ?
C36 S3 Au3 108.3(13) . . ?
C36 S3 Zn2 90.5(12) . . ?
Au3 S3 Zn2 97.7(4) . . ?
C39 S4 Au4 106.9(15) . . ?
C39 S4 Zn2 95.8(12) . . ?
Au4 S4 Zn2 100.6(4) . . ?
C18 P1 C12 107.7(10) . . ?
C18 P1 C11 107.3(12) . . ?
C12 P1 C11 102.7(13) . . ?
C18 P1 Au1 112.6(7) . . ?
C12 P1 Au1 112.4(8) . . ?
C11 P1 Au1 113.6(11) . . ?
C11 P2 C30 105.3(12) . . ?
C11 P2 C24 105.8(12) . . ?
C30 P2 C24 103.5(10) . . ?
C11 P2 Au2 111.4(11) . . ?
C30 P2 Au2 116.7(8) . . ?
C24 P2 Au2 113.1(7) . . ?
C42 P3 C43 98.8(15) . . ?
C42 P3 C49 107.8(13) . . ?
C43 P3 C49 112.5(11) . . ?
C42 P3 Au3 115.3(10) . . ?
C43 P3 Au3 109.9(8) . . ?
C49 P3 Au3 111.9(8) . . ?
C55 P4 C61 106.1(11) . . ?
C55 P4 C42 107.6(12) . . ?
C61 P4 C42 102.0(13) . . ?
C55 P4 Au4 113.2(8) . . ?
C61 P4 Au4 116.3(9) . . ?
C42 P4 Au4 110.7(10) . . ?
C3 O1 Zn1 108.3(19) . . ?
C8 O3 Zn1 110.8(19) . . ?
C38 O5 Zn2 115(3) . . ?
C41 O7 Zn2 108(3) . . ?
C2 N1 Zn1 102.1(16) . . ?
C2 N1 H1A 111.3 . . ?
Zn1 N1 H1A 111.3 . . ?
C2 N1 H1B 111.3 . . ?
Zn1 N1 H1B 111.3 . . ?
H1A N1 H1B 109.2 . . ?
C7 N2 Zn1 100.5(16) . . ?
C7 N2 H2A 111.7 . . ?
Zn1 N2 H2A 111.7 . . ?
C7 N2 H2B 111.7 . . ?
Zn1 N2 H2B 111.7 . . ?
H2A N2 H2B 109.5 . . ?
C37 N3 Zn2 102(2) . . ?
C37 N3 H3A 111.3 . . ?
Zn2 N3 H3A 111.3 . . ?
C37 N3 H3B 111.3 . . ?
Zn2 N3 H3B 111.3 . . ?
H3A N3 H3B 109.2 . . ?
C40 N4 Zn2 104(2) . . ?
C40 N4 H4A 110.9 . . ?
Zn2 N4 H4A 110.9 . . ?
C40 N4 H4B 110.9 . . ?
Zn2 N4 H4B 110.9 . . ?
H4A N4 H4B 108.9 . . ?
C5 C1 C2 115(2) . . ?
C5 C1 C4 106(2) . . ?
C2 C1 C4 109(2) . . ?
C5 C1 S1 113.8(19) . . ?
C2 C1 S1 107.2(19) . . ?
C4 C1 S1 104.7(18) . . ?
N1 C2 C3 108(2) . . ?
N1 C2 C1 114(2) . . ?
C3 C2 C1 111(2) . . ?
N1 C2 H1 107.9 . . ?
C3 C2 H1 107.9 . . ?
C1 C2 H1 107.9 . . ?
O2 C3 O1 120(3) . . ?
O2 C3 C2 121(3) . . ?
O1 C3 C2 119(3) . . ?
C1 C4 H2 109.5 . . ?
C1 C4 H3 109.5 . . ?
H2 C4 H3 109.5 . . ?
C1 C4 H4 109.5 . . ?
H2 C4 H4 109.5 . . ?
H3 C4 H4 109.5 . . ?
C10 C6 C9 107(2) . . ?
C10 C6 C7 110(2) . . ?
C9 C6 C7 105(2) . . ?
C10 C6 S2 116.0(19) . . ?
C9 C6 S2 110.6(19) . . ?
C7 C6 S2 107.0(18) . . ?
C1 C5 H5 109.5 . . ?
C1 C5 H6 109.5 . . ?
H5 C5 H6 109.5 . . ?
C1 C5 H7 109.5 . . ?
H5 C5 H7 109.5 . . ?
H6 C5 H7 109.5 . . ?
C8 C7 N2 108(2) . . ?
C8 C7 C6 109(2) . . ?
N2 C7 C6 111(2) . . ?
C8 C7 H8 109.8 . . ?
N2 C7 H8 109.8 . . ?
C6 C7 H8 109.8 . . ?
O3 C8 O4 122(3) . . ?
O3 C8 C7 117(3) . . ?
O4 C8 C7 121(3) . . ?
C6 C9 H9 109.5 . . ?
C6 C9 H10 109.5 . . ?
H9 C9 H10 109.5 . . ?
C6 C9 H11 109.5 . . ?
H9 C9 H11 109.5 . . ?
H10 C9 H11 109.5 . . ?
C6 C10 H12 109.5 . . ?
C6 C10 H13 109.5 . . ?
H12 C10 H13 109.5 . . ?
C6 C10 H14 109.5 . . ?
H12 C10 H14 109.5 . . ?
H13 C10 H14 109.5 . . ?
P2 C11 P1 115.2(17) . . ?
P2 C11 H15 108.5 . . ?
P1 C11 H15 108.5 . . ?
P2 C11 H16 108.5 . . ?
P1 C11 H16 108.5 . . ?
H15 C11 H16 107.5 . . ?
C13 C12 C17 120.0 . . ?
C13 C12 P1 115.1(11) . . ?
C17 C12 P1 124.9(11) . . ?
C14 C13 C12 120.0 . . ?
C14 C13 H17 120.0 . . ?
C12 C13 H17 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H18 120.0 . . ?
C15 C14 H18 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H19 120.0 . . ?
C14 C15 H19 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H20 120.0 . . ?
C15 C16 H20 120.0 . . ?
C16 C17 C12 120.0 . . ?
C16 C17 H21 120.0 . . ?
C12 C17 H21 120.0 . . ?
C19 C18 C23 120.0 . . ?
C19 C18 P1 117.7(11) . . ?
C23 C18 P1 122.2(11) . . ?
C18 C19 C20 120.0 . . ?
C18 C19 H22 120.0 . . ?
C20 C19 H22 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H23 120.0 . . ?
C19 C20 H23 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H24 120.0 . . ?
C20 C21 H24 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H25 120.0 . . ?
C23 C22 H25 120.0 . . ?
C22 C23 C18 120.0 . . ?
C22 C23 H26 120.0 . . ?
C18 C23 H26 120.0 . . ?
C25 C24 C29 120.0 . . ?
C25 C24 P2 121.5(10) . . ?
C29 C24 P2 118.5(10) . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H27 120.0 . . ?
C24 C25 H27 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H28 120.0 . . ?
C27 C26 H28 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H29 120.0 . . ?
C28 C27 H29 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H30 120.0 . . ?
C29 C28 H30 120.0 . . ?
C28 C29 C24 120.0 . . ?
C28 C29 H31 120.0 . . ?
C24 C29 H31 120.0 . . ?
C31 C30 C35 120.0 . . ?
C31 C30 P2 122.1(13) . . ?
C35 C30 P2 117.9(13) . . ?
C30 C31 C32 120.0 . . ?
C30 C31 H32 120.0 . . ?
C32 C31 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H33 120.0 . . ?
C31 C32 H33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H34 120.0 . . ?
C34 C33 H34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H35 120.0 . . ?
C35 C34 H35 120.0 . . ?
C34 C35 C30 120.0 . . ?
C34 C35 H36 120.0 . . ?
C30 C35 H36 120.0 . . ?
C37 C36 S3 116(3) . . ?
C37 C36 H37 108.2 . . ?
S3 C36 H37 108.2 . . ?
C37 C36 H38 108.2 . . ?
S3 C36 H38 108.2 . . ?
H37 C36 H38 107.4 . . ?
N3 C37 C36 104(3) . . ?
N3 C37 C38 112(3) . . ?
C36 C37 C38 112(3) . . ?
N3 C37 H39 109.8 . . ?
C36 C37 H39 109.8 . . ?
C38 C37 H39 109.8 . . ?
O6 C38 O5 135(4) . . ?
O6 C38 C37 115(4) . . ?
O5 C38 C37 110(3) . . ?
C40 C39 S4 114(3) . . ?
C40 C39 H40 108.8 . . ?
S4 C39 H40 108.8 . . ?
C40 C39 H41 108.8 . . ?
S4 C39 H41 108.8 . . ?
H40 C39 H41 107.7 . . ?
C39 C40 N4 113(3) . . ?
C39 C40 C41 107(3) . . ?
N4 C40 C41 101(3) . . ?
C39 C40 H42 111.7 . . ?
N4 C40 H42 111.7 . . ?
C41 C40 H42 111.7 . . ?
O8 C41 O7 120(5) . . ?
O8 C41 C40 119(5) . . ?
O7 C41 C40 120(4) . . ?
P3 C42 P4 113.3(18) . . ?
P3 C42 H43 108.9 . . ?
P4 C42 H43 108.9 . . ?
P3 C42 H44 108.9 . . ?
P4 C42 H44 108.9 . . ?
H43 C42 H44 107.7 . . ?
C44 C43 C48 120.0 . . ?
C44 C43 P3 118.4(12) . . ?
C48 C43 P3 121.6(12) . . ?
C43 C44 C45 120.0 . . ?
C43 C44 H45 120.0 . . ?
C45 C44 H45 120.0 . . ?
C46 C45 C44 120.0 . . ?
C46 C45 H46 120.0 . . ?
C44 C45 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H47 120.0 . . ?
C45 C46 H47 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H48 120.0 . . ?
C48 C47 H48 120.0 . . ?
C47 C48 C43 120.0 . . ?
C47 C48 H49 120.0 . . ?
C43 C48 H49 120.0 . . ?
C50 C49 C54 120.0 . . ?
C50 C49 P3 122.9(12) . . ?
C54 C49 P3 117.1(12) . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C49 120.0 . . ?
C53 C54 H54 120.0 . . ?
C49 C54 H54 120.0 . . ?
C56 C55 C60 120.0 . . ?
C56 C55 P4 121.5(12) . . ?
C60 C55 P4 118.4(12) . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H55 120.0 . . ?
C55 C56 H55 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H56 120.0 . . ?
C58 C57 H56 120.0 . . ?
C57 C58 C59 120.0 . . ?
C57 C58 H57 120.0 . . ?
C59 C58 H57 120.0 . . ?
C58 C59 C60 120.0 . . ?
C58 C59 H58 120.0 . . ?
C60 C59 H58 120.0 . . ?
C59 C60 C55 120.0 . . ?
C59 C60 H59 120.0 . . ?
C55 C60 H59 120.0 . . ?
C62 C61 C66 120.0 . . ?
C62 C61 P4 122.9(15) . . ?
C66 C61 P4 116.8(15) . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H60 120.0 . . ?
C61 C62 H60 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H61 120.0 . . ?
C62 C63 H61 120.0 . . ?
C63 C64 C65 120.0 . . ?
C63 C64 H62 120.0 . . ?
C65 C64 H62 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H63 120.0 . . ?
C64 C65 H63 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H64 120.0 . . ?
C61 C66 H64 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 2.274(8) . ?
Au1 S1 2.302(8) . ?
Au1 Au2 3.174(2) . ?
Au2 P2 2.278(8) . ?
Au2 S2 2.312(7) . ?
Au3 P3 2.267(9) . ?
Au3 S3 2.335(9) . ?
Au3 Au4 3.168(2) . ?
Au4 P4 2.251(9) . ?
Au4 S4 2.312(9) . ?
Zn1 N2 2.09(2) . ?
Zn1 N1 2.11(2) . ?
Zn1 O3 2.13(2) . ?
Zn1 O1 2.18(2) . ?
Zn1 S2 2.459(8) . ?
Zn1 S1 2.597(9) . ?
Zn2 N3 2.12(3) . ?
Zn2 O5 2.12(3) . ?
Zn2 N4 2.18(3) . ?
Zn2 O7 2.19(3) . ?
Zn2 S4 2.494(11) . ?
Zn2 S3 2.655(11) . ?
S1 C1 1.86(3) . ?
S2 C6 1.81(3) . ?
S3 C36 1.74(3) . ?
S4 C39 1.83(4) . ?
P1 C18 1.814(14) . ?
P1 C12 1.822(16) . ?
P1 C11 1.85(3) . ?
P2 C11 1.78(3) . ?
P2 C30 1.795(17) . ?
P2 C24 1.826(14) . ?
P3 C42 1.79(3) . ?
P3 C43 1.817(18) . ?
P3 C49 1.823(15) . ?
P4 C55 1.824(15) . ?
P4 C61 1.833(19) . ?
P4 C42 1.88(4) . ?
O1 C3 1.27(3) . ?
O2 C3 1.27(4) . ?
O3 C8 1.29(4) . ?
O4 C8 1.30(4) . ?
O5 C38 1.31(4) . ?
O6 C38 1.22(4) . ?
O7 C41 1.35(5) . ?
O8 C41 1.22(5) . ?
N1 C2 1.48(2) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N2 C7 1.53(2) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N3 C37 1.47(2) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N4 C40 1.50(2) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
C1 C5 1.43(3) . ?
C1 C2 1.53(4) . ?
C1 C4 1.59(4) . ?
C2 C3 1.50(4) . ?
C2 H1 1.0000 . ?
C4 H2 0.9800 . ?
C4 H3 0.9800 . ?
C4 H4 0.9800 . ?
C6 C10 1.49(4) . ?
C6 C9 1.53(4) . ?
C6 C7 1.62(4) . ?
C5 H5 0.9800 . ?
C5 H6 0.9800 . ?
C5 H7 0.9800 . ?
C7 C8 1.50(4) . ?
C7 H8 1.0000 . ?
C9 H9 0.9800 . ?
C9 H10 0.9800 . ?
C9 H11 0.9800 . ?
C10 H12 0.9800 . ?
C10 H13 0.9800 . ?
C10 H14 0.9800 . ?
C11 H15 0.9900 . ?
C11 H16 0.9900 . ?
C12 C13 1.3900 . ?
C12 C17 1.3900 . ?
C13 C14 1.3900 . ?
C13 H17 0.9500 . ?
C14 C15 1.3900 . ?
C14 H18 0.9500 . ?
C15 C16 1.3900 . ?
C15 H19 0.9500 . ?
C16 C17 1.3900 . ?
C16 H20 0.9500 . ?
C17 H21 0.9500 . ?
C18 C19 1.3900 . ?
C18 C23 1.3900 . ?
C19 C20 1.3900 . ?
C19 H22 0.9500 . ?
C20 C21 1.3900 . ?
C20 H23 0.9500 . ?
C21 C22 1.3900 . ?
C21 H24 0.9500 . ?
C22 C23 1.3900 . ?
C22 H25 0.9500 . ?
C23 H26 0.9500 . ?
C24 C25 1.3900 . ?
C24 C29 1.3900 . ?
C25 C26 1.3900 . ?
C25 H27 0.9500 . ?
C26 C27 1.3900 . ?
C26 H28 0.9500 . ?
C27 C28 1.3900 . ?
C27 H29 0.9500 . ?
C28 C29 1.3900 . ?
C28 H30 0.9500 . ?
C29 H31 0.9500 . ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 C32 1.3900 . ?
C31 H32 0.9500 . ?
C32 C33 1.3900 . ?
C32 H33 0.9500 . ?
C33 C34 1.3900 . ?
C33 H34 0.9500 . ?
C34 C35 1.3900 . ?
C34 H35 0.9500 . ?
C35 H36 0.9500 . ?
C36 C37 1.54(4) . ?
C36 H37 0.9900 . ?
C36 H38 0.9900 . ?
C37 C38 1.60(5) . ?
C37 H39 1.0000 . ?
C39 C40 1.46(4) . ?
C39 H40 0.9900 . ?
C39 H41 0.9900 . ?
C40 C41 1.65(6) . ?
C40 H42 1.0000 . ?
C42 H43 0.9900 . ?
C42 H44 0.9900 . ?
C43 C44 1.3900 . ?
C43 C48 1.3900 . ?
C44 C45 1.3900 . ?
C44 H45 0.9500 . ?
C45 C46 1.3900 . ?
C45 H46 0.9500 . ?
C46 C47 1.3900 . ?
C46 H47 0.9500 . ?
C47 C48 1.3900 . ?
C47 H48 0.9500 . ?
C48 H49 0.9500 . ?
C49 C50 1.3900 . ?
C49 C54 1.3900 . ?
C50 C51 1.3900 . ?
C50 H50 0.9500 . ?
C51 C52 1.3900 . ?
C51 H51 0.9500 . ?
C52 C53 1.3900 . ?
C52 H52 0.9500 . ?
C53 C54 1.3900 . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 C57 1.3900 . ?
C56 H55 0.9500 . ?
C57 C58 1.3900 . ?
C57 H56 0.9500 . ?
C58 C59 1.3900 . ?
C58 H57 0.9500 . ?
C59 C60 1.3900 . ?
C59 H58 0.9500 . ?
C60 H59 0.9500 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 C63 1.3900 . ?
C62 H60 0.9500 . ?
C63 C64 1.3900 . ?
C63 H61 0.9500 . ?
C64 C65 1.3900 . ?
C64 H62 0.9500 . ?
C65 C66 1.3900 . ?
C65 H63 0.9500 . ?
C66 H64 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N1 H1B O6 0.91 2.29 3.12(3) 150.1 . yes
N2 H2A O4 0.91 2.48 3.28(3) 147.5 2_645 yes
N3 H3A O2 0.91 2.45 3.21(3) 141.5 . yes
C5 H6 O8 0.98 2.59 3.57(4) 176.3 2_756 yes
C5 H7 O2 0.98 2.54 3.12(3) 117.5 . yes
C10 H12 O4 0.98 2.59 3.16(4) 117.3 . yes
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 C5 37(2) . . . . ?
Zn1 S1 C1 C5 139(2) . . . . ?
Au1 S1 C1 C2 -90.9(18) . . . . ?
Zn1 S1 C1 C2 11.1(19) . . . . ?
Au1 S1 C1 C4 152.9(16) . . . . ?
Zn1 S1 C1 C4 -105.1(17) . . . . ?
Zn1 N1 C2 C3 -50(2) . . . . ?
Zn1 N1 C2 C1 74(2) . . . . ?
C5 C1 C2 N1 177(2) . . . . ?
C4 C1 C2 N1 58(3) . . . . ?
S1 C1 C2 N1 -55(3) . . . . ?
C5 C1 C2 C3 -61(3) . . . . ?
C4 C1 C2 C3 180(2) . . . . ?
S1 C1 C2 C3 67(3) . . . . ?
Zn1 O1 C3 O2 -170(2) . . . . ?
Zn1 O1 C3 C2 10(3) . . . . ?
N1 C2 C3 O2 -153(2) . . . . ?
C1 C2 C3 O2 82(3) . . . . ?
N1 C2 C3 O1 28(3) . . . . ?
C1 C2 C3 O1 -98(3) . . . . ?
Au2 S2 C6 C10 -111(2) . . . . ?
Zn1 S2 C6 C10 142(2) . . . . ?
Au2 S2 C6 C9 11(2) . . . . ?
Zn1 S2 C6 C9 -95.0(19) . . . . ?
Au2 S2 C6 C7 125.0(15) . . . . ?
Zn1 S2 C6 C7 18.6(18) . . . . ?
Zn1 N2 C7 C8 -50(2) . . . . ?
Zn1 N2 C7 C6 69(2) . . . . ?
C10 C6 C7 C8 -68(3) . . . . ?
C9 C6 C7 C8 177(2) . . . . ?
S2 C6 C7 C8 59(3) . . . . ?
C10 C6 C7 N2 174(2) . . . . ?
C9 C6 C7 N2 58(3) . . . . ?
S2 C6 C7 N2 -59(2) . . . . ?
Zn1 O3 C8 O4 -165(2) . . . . ?
Zn1 O3 C8 C7 11(3) . . . . ?
N2 C7 C8 O3 27(3) . . . . ?
C6 C7 C8 O3 -93(3) . . . . ?
N2 C7 C8 O4 -156(2) . . . . ?
C6 C7 C8 O4 84(3) . . . . ?
C30 P2 C11 P1 -167.0(14) . . . . ?
C24 P2 C11 P1 83.7(18) . . . . ?
Au2 P2 C11 P1 -39.6(19) . . . . ?
C18 P1 C11 P2 -64.5(19) . . . . ?
C12 P1 C11 P2 -177.8(15) . . . . ?
Au1 P1 C11 P2 60.6(18) . . . . ?
C18 P1 C12 C13 173.2(12) . . . . ?
C11 P1 C12 C13 -73.8(15) . . . . ?
Au1 P1 C12 C13 48.6(13) . . . . ?
C18 P1 C12 C17 -7.5(16) . . . . ?
C11 P1 C12 C17 105.5(16) . . . . ?
Au1 P1 C12 C17 -132.1(11) . . . . ?
C17 C12 C13 C14 0.0 . . . . ?
P1 C12 C13 C14 179.3(16) . . . . ?
C12 C13 C14 C15 0.0 . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C15 C16 C17 C12 0.0 . . . . ?
C13 C12 C17 C16 0.0 . . . . ?
P1 C12 C17 C16 -179.2(18) . . . . ?
C12 P1 C18 C19 -120.5(13) . . . . ?
C11 P1 C18 C19 129.6(15) . . . . ?
Au1 P1 C18 C19 4.0(14) . . . . ?
C12 P1 C18 C23 61.6(16) . . . . ?
C11 P1 C18 C23 -48.3(18) . . . . ?
Au1 P1 C18 C23 -174.0(10) . . . . ?
C23 C18 C19 C20 0.0 . . . . ?
P1 C18 C19 C20 -178.0(16) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C20 C21 C22 C23 0.0 . . . . ?
C21 C22 C23 C18 0.0 . . . . ?
C19 C18 C23 C22 0.0 . . . . ?
P1 C18 C23 C22 177.9(17) . . . . ?
C11 P2 C24 C25 -127.5(15) . . . . ?
C30 P2 C24 C25 121.9(13) . . . . ?
Au2 P2 C24 C25 -5.3(14) . . . . ?
C11 P2 C24 C29 53.1(16) . . . . ?
C30 P2 C24 C29 -57.4(14) . . . . ?
Au2 P2 C24 C29 175.3(9) . . . . ?
C29 C24 C25 C26 0.0 . . . . ?
P2 C24 C25 C26 -179.4(15) . . . . ?
C24 C25 C26 C27 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C27 C28 C29 C24 0.0 . . . . ?
C25 C24 C29 C28 0.0 . . . . ?
P2 C24 C29 C28 179.4(15) . . . . ?
C11 P2 C30 C31 -15.6(16) . . . . ?
C24 P2 C30 C31 95.3(12) . . . . ?
Au2 P2 C30 C31 -139.8(9) . . . . ?
C11 P2 C30 C35 166.4(14) . . . . ?
C24 P2 C30 C35 -82.8(12) . . . . ?
Au2 P2 C30 C35 42.2(13) . . . . ?
C35 C30 C31 C32 0.0 . . . . ?
P2 C30 C31 C32 -178.0(14) . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C30 0.0 . . . . ?
C31 C30 C35 C34 0.0 . . . . ?
P2 C30 C35 C34 178.1(14) . . . . ?
Au3 S3 C36 C37 80(3) . . . . ?
Zn2 S3 C36 C37 -18(3) . . . . ?
Zn2 N3 C37 C36 -75(3) . . . . ?
Zn2 N3 C37 C38 45(3) . . . . ?
S3 C36 C37 N3 62(3) . . . . ?
S3 C36 C37 C38 -58(4) . . . . ?
Zn2 O5 C38 O6 164(4) . . . . ?
Zn2 O5 C38 C37 -15(3) . . . . ?
N3 C37 C38 O6 159(3) . . . . ?
C36 C37 C38 O6 -85(4) . . . . ?
N3 C37 C38 O5 -22(4) . . . . ?
C36 C37 C38 O5 94(4) . . . . ?
Au4 S4 C39 C40 -118(3) . . . . ?
Zn2 S4 C39 C40 -15(3) . . . . ?
S4 C39 C40 N4 52(5) . . . . ?
S4 C39 C40 C41 -58(4) . . . . ?
Zn2 N4 C40 C39 -63(4) . . . . ?
Zn2 N4 C40 C41 52(3) . . . . ?
Zn2 O7 C41 O8 176(3) . . . . ?
Zn2 O7 C41 C40 -11(4) . . . . ?
C39 C40 C41 O8 -97(4) . . . . ?
N4 C40 C41 O8 145(4) . . . . ?
C39 C40 C41 O7 90(4) . . . . ?
N4 C40 C41 O7 -28(4) . . . . ?
C43 P3 C42 P4 -178.2(14) . . . . ?
C49 P3 C42 P4 64.6(17) . . . . ?
Au3 P3 C42 P4 -61.2(17) . . . . ?
C55 P4 C42 P3 -86.1(17) . . . . ?
C61 P4 C42 P3 162.5(14) . . . . ?
Au4 P4 C42 P3 38.1(17) . . . . ?
C42 P3 C43 C44 78.7(16) . . . . ?
C49 P3 C43 C44 -167.8(13) . . . . ?
Au3 P3 C43 C44 -42.3(16) . . . . ?
C42 P3 C43 C48 -100.9(16) . . . . ?
C49 P3 C43 C48 12.6(19) . . . . ?
Au3 P3 C43 C48 138.0(12) . . . . ?
C48 C43 C44 C45 0.0 . . . . ?
P3 C43 C44 C45 -180(2) . . . . ?
C43 C44 C45 C46 0.0 . . . . ?
C44 C45 C46 C47 0.0 . . . . ?
C45 C46 C47 C48 0.0 . . . . ?
C46 C47 C48 C43 0.0 . . . . ?
C44 C43 C48 C47 0.0 . . . . ?
P3 C43 C48 C47 180(2) . . . . ?
C42 P3 C49 C50 48.9(18) . . . . ?
C43 P3 C49 C50 -59.0(17) . . . . ?
Au3 P3 C49 C50 176.7(10) . . . . ?
C42 P3 C49 C54 -130.4(15) . . . . ?
C43 P3 C49 C54 121.8(14) . . . . ?
Au3 P3 C49 C54 -2.6(13) . . . . ?
C54 C49 C50 C51 0.0 . . . . ?
P3 C49 C50 C51 -179.3(16) . . . . ?
C49 C50 C51 C52 0.0 . . . . ?
C50 C51 C52 C53 0.0 . . . . ?
C51 C52 C53 C54 0.0 . . . . ?
C52 C53 C54 C49 0.0 . . . . ?
C50 C49 C54 C53 0.0 . . . . ?
P3 C49 C54 C53 179.3(16) . . . . ?
C61 P4 C55 C56 62.9(16) . . . . ?
C42 P4 C55 C56 -45.7(17) . . . . ?
Au4 P4 C55 C56 -168.4(10) . . . . ?
C61 P4 C55 C60 -115.5(14) . . . . ?
C42 P4 C55 C60 136.0(14) . . . . ?
Au4 P4 C55 C60 13.2(15) . . . . ?
C60 C55 C56 C57 0.0 . . . . ?
P4 C55 C56 C57 -178.3(17) . . . . ?
C55 C56 C57 C58 0.0 . . . . ?
C56 C57 C58 C59 0.0 . . . . ?
C57 C58 C59 C60 0.0 . . . . ?
C58 C59 C60 C55 0.0 . . . . ?
C56 C55 C60 C59 0.0 . . . . ?
P4 C55 C60 C59 178.4(17) . . . . ?
C55 P4 C61 C62 -90.8(15) . . . . ?
C42 P4 C61 C62 21.7(17) . . . . ?
Au4 P4 C61 C62 142.3(11) . . . . ?
C55 P4 C61 C66 82.9(15) . . . . ?
C42 P4 C61 C66 -164.5(14) . . . . ?
Au4 P4 C61 C66 -44.0(14) . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
P4 C61 C62 C63 173.6(17) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
P4 C61 C66 C65 -174.0(16) . . . . ?
