# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[1]
_database_code_depnum_ccdc_archive 'CCDC 1887515'
loop_
_audit_author_name
_audit_author_address
'Nobuto Yoshinari'
;Osaka University
Japan
;
_audit_update_record             
;
2018-12-27 deposited with the CCDC.	2019-02-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '4(C35 H40 Au2 N2 O4 P2 Pd S2), C2 H5 O, 46(O)'
_chemical_formula_sum            'C142 H258 Au8 N8 O63 P8 Pd4 S8'
_chemical_formula_weight         5591.12

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'
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'
Pd Pd -0.9988 1.0072 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   16.2767(3)
_cell_length_b                   37.3828(7)
_cell_length_c                   16.9637(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.887(7)
_cell_angle_gamma                90
_cell_volume                     10168.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    35497
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      32.78

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_F_000             5468
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    6.313
_shelx_estimated_absorpt_T_min   0.571
_shelx_estimated_absorpt_T_max   0.571
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5551
_exptl_absorpt_correction_T_max  0.9874
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku FR-E SuperBright'
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            58147
_diffrn_reflns_av_unetI/netI     0.1155
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.001
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.979
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.979
_diffrn_reflns_point_group_measured_fraction_max 0.873
_diffrn_reflns_point_group_measured_fraction_full 0.898
_reflns_number_total             40700
_reflns_number_gt                31978
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.788
_reflns_Friedel_fraction_max     0.782
_reflns_Friedel_fraction_full    0.814

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Mercury 3.10'
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0349P)²+25.9847P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 10088 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.051(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         40700
_refine_ls_number_parameters     2181
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0576
_refine_ls_wR_factor_ref         0.1211
_refine_ls_wR_factor_gt          0.1125
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.31294(4) 0.61354(2) 0.15379(4) 0.02776(17) Uani 1 1 d . . . . .
Au2 Au 0.21706(4) 0.54346(2) 0.12512(5) 0.03455(19) Uani 1 1 d . . . . .
Pd1 Pd 0.09812(9) 0.62326(4) 0.12143(9) 0.0345(4) Uani 1 1 d . . . . .
S1 S 0.2107(3) 0.65161(12) 0.0873(3) 0.0308(10) Uani 1 1 d . . . . .
S2 S 0.1036(3) 0.57145(14) 0.0481(3) 0.0363(12) Uani 1 1 d . . . . .
P1 P 0.4257(3) 0.58383(12) 0.2193(3) 0.0257(10) Uani 1 1 d . . . . .
P2 P 0.3236(3) 0.51535(12) 0.2060(3) 0.0321(12) Uani 1 1 d . . . . .
O1 O 0.1322(9) 0.7645(4) 0.1796(9) 0.061(4) Uani 1 1 d . . . . .
O2 O 0.0791(12) 0.7292(4) 0.2616(11) 0.093(7) Uani 1 1 d . . . . .
N1 N 0.0808(12) 0.6709(4) 0.1761(11) 0.054(5) Uani 1 1 d . . . . .
H1 H 0.0251 0.6755 0.1682 0.065 Uiso 1 1 calc R U . . .
H1A H 0.0981 0.6681 0.2297 0.065 Uiso 1 1 calc R U . . .
N2 N 0.0037(11) 0.5981(5) 0.1673(11) 0.060(5) Uani 1 1 d . . . . .
H2 H 0.0095 0.6034 0.2203 0.072 Uiso 1 1 calc R U . . .
H2A H -0.0459 0.6073 0.1429 0.072 Uiso 1 1 calc R U . . .
C1 C 0.2147(12) 0.6923(5) 0.1542(11) 0.038(5) Uani 1 1 d . . . . .
C2 C 0.1222(11) 0.7015(4) 0.1509(10) 0.033(4) Uani 1 1 d . . . . .
H2B H 0.0973 0.7067 0.0939 0.040 Uiso 1 1 calc R U . . .
O3 O -0.1397(9) 0.5654(5) 0.1872(10) 0.066(5) Uani 1 1 d . . . . .
C3 C 0.1093(14) 0.7344(6) 0.2008(13) 0.051(6) Uani 1 1 d . . . . .
O4 O -0.0806(11) 0.5115(4) 0.1993(11) 0.083(5) Uani 1 1 d . . . . .
C4 C 0.252(2) 0.6842(7) 0.2392(15) 0.123(14) Uani 1 1 d . . . . .
H4 H 0.2441 0.7047 0.2730 0.184 Uiso 1 1 calc R U . . .
H4A H 0.3118 0.6794 0.2429 0.184 Uiso 1 1 calc R U . . .
H4B H 0.2246 0.6631 0.2572 0.184 Uiso 1 1 calc R U . . .
C5 C 0.2601(17) 0.7210(6) 0.115(2) 0.118(14) Uani 1 1 d . . . . .
H5 H 0.3184 0.7139 0.1175 0.177 Uiso 1 1 calc R U . . .
H5A H 0.2579 0.7436 0.1440 0.177 Uiso 1 1 calc R U . . .
H5B H 0.2334 0.7240 0.0594 0.177 Uiso 1 1 calc R U . . .
C6 C 0.0066(11) 0.5490(6) 0.0715(12) 0.041(5) Uani 1 1 d . . . . .
C7 C 0.0002(11) 0.5594(5) 0.1586(12) 0.042(5) Uani 1 1 d . . . . .
H7 H 0.0494 0.5490 0.1947 0.050 Uiso 1 1 calc R U . . .
C8 C -0.0819(16) 0.5432(6) 0.1837(13) 0.059(6) Uani 1 1 d . . . . .
C9 C 0.0184(14) 0.5082(6) 0.0631(17) 0.076(8) Uani 1 1 d . . . . .
H9 H -0.0337 0.4959 0.0679 0.113 Uiso 1 1 calc R U . . .
H9A H 0.0631 0.4999 0.1054 0.113 Uiso 1 1 calc R U . . .
H9B H 0.0332 0.5030 0.0107 0.113 Uiso 1 1 calc R U . . .
C10 C -0.0647(12) 0.5645(7) 0.0157(12) 0.064(7) Uani 1 1 d . . . . .
H10 H -0.0639 0.5557 -0.0386 0.096 Uiso 1 1 calc R U . . .
H10A H -0.0603 0.5907 0.0164 0.096 Uiso 1 1 calc R U . . .
H10B H -0.1171 0.5574 0.0324 0.096 Uiso 1 1 calc R U . . .
C11 C 0.4231(11) 0.5358(4) 0.2021(11) 0.030(4) Uani 1 1 d . . . . .
H11 H 0.4380 0.5310 0.1489 0.036 Uiso 1 1 calc R U . . .
H11A H 0.4659 0.5244 0.2427 0.036 Uiso 1 1 calc R U . . .
C12 C 0.4429(11) 0.5878(5) 0.3273(10) 0.028(4) Uani 1 1 d . . . . .
C13 C 0.3847(13) 0.6015(5) 0.3638(12) 0.037(5) Uani 1 1 d . . . . .
H13 H 0.3349 0.6108 0.3331 0.045 Uiso 1 1 calc R U . . .
C14 C 0.3961(15) 0.6025(6) 0.4490(14) 0.055(7) Uani 1 1 d . . . . .
H14 H 0.3542 0.6120 0.4757 0.066 Uiso 1 1 calc R U . . .
C15 C 0.4668(15) 0.5897(6) 0.4900(13) 0.050(6) Uani 1 1 d . U . . .
H15 H 0.4744 0.5899 0.5468 0.060 Uiso 1 1 calc R U . . .
C16 C 0.5269(13) 0.5769(5) 0.4552(15) 0.053(7) Uani 1 1 d . . . . .
H16 H 0.5769 0.5681 0.4865 0.064 Uiso 1 1 calc R U . . .
C17 C 0.5162(14) 0.5762(5) 0.3713(14) 0.052(6) Uani 1 1 d . . . . .
H17 H 0.5597 0.5677 0.3453 0.062 Uiso 1 1 calc R U . . .
C18 C 0.5189(11) 0.6015(4) 0.1855(9) 0.028(4) Uani 1 1 d . . . . .
C19 C 0.5319(12) 0.6376(5) 0.1916(15) 0.053(6) Uani 1 1 d . . . . .
H19 H 0.4952 0.6522 0.2155 0.064 Uiso 1 1 calc R U . . .
C20 C 0.5967(17) 0.6524(7) 0.1639(17) 0.080(8) Uani 1 1 d . . . . .
H20 H 0.6048 0.6776 0.1668 0.096 Uiso 1 1 calc R U . . .
C21 C 0.6533(15) 0.6302(8) 0.1301(14) 0.072(8) Uani 1 1 d . . . . .
H21 H 0.6993 0.6404 0.1105 0.086 Uiso 1 1 calc R U . . .
C22 C 0.6414(14) 0.5959(7) 0.1264(14) 0.058(6) Uani 1 1 d . . . . .
H22 H 0.6793 0.5814 0.1039 0.070 Uiso 1 1 calc R U . . .
C23 C 0.5749(13) 0.5794(6) 0.1542(13) 0.054(6) Uani 1 1 d . . . . .
H23 H 0.5679 0.5542 0.1521 0.065 Uiso 1 1 calc R U . . .
C24 C 0.3375(10) 0.4684(5) 0.1877(12) 0.030(4) Uani 1 1 d . . . . .
C25 C 0.4154(15) 0.4522(6) 0.2112(19) 0.082(9) Uani 1 1 d . . . . .
H25 H 0.4620 0.4661 0.2350 0.098 Uiso 1 1 calc R U . . .
C26 C 0.4249(18) 0.4144(6) 0.199(2) 0.097(11) Uani 1 1 d . . . . .
H26 H 0.4763 0.4025 0.2166 0.116 Uiso 1 1 calc R U . . .
C27 C 0.3543(14) 0.3964(6) 0.1606(15) 0.054(6) Uani 1 1 d . . . . .
H27 H 0.3587 0.3715 0.1503 0.065 Uiso 1 1 calc R U . . .
C28 C 0.2816(15) 0.4123(6) 0.1378(16) 0.059(7) Uani 1 1 d . . . . .
H28 H 0.2348 0.3986 0.1134 0.071 Uiso 1 1 calc R U . . .
C29 C 0.2732(13) 0.4488(5) 0.1491(13) 0.046(5) Uani 1 1 d . . . . .
H29 H 0.2216 0.4602 0.1294 0.055 Uiso 1 1 calc R U . . .
C30 C 0.3112(13) 0.5177(5) 0.3088(14) 0.045(6) Uani 1 1 d . . . . .
C31 C 0.2330(13) 0.5307(5) 0.3279(12) 0.040(5) Uani 1 1 d . . . . .
H31 H 0.1892 0.5371 0.2856 0.048 Uiso 1 1 calc R U . . .
C32 C 0.2211(15) 0.5341(6) 0.4057(14) 0.058(6) Uani 1 1 d . . . . .
H32 H 0.1696 0.5426 0.4177 0.070 Uiso 1 1 calc R U . . .
C33 C 0.2848(18) 0.5250(6) 0.4652(13) 0.062(8) Uani 1 1 d . . . . .
H33 H 0.2774 0.5279 0.5192 0.074 Uiso 1 1 calc R U . . .
C34 C 0.3590(15) 0.5120(5) 0.4505(14) 0.050(6) Uani 1 1 d . U . . .
H34 H 0.4015 0.5058 0.4939 0.061 Uiso 1 1 calc R U . . .
C35 C 0.3732(13) 0.5077(5) 0.3703(15) 0.054(6) Uani 1 1 d . . . . .
H35 H 0.4243 0.4981 0.3598 0.065 Uiso 1 1 calc R U . . .
Au3 Au 0.26761(4) 0.30294(2) 0.36604(4) 0.02888(17) Uani 1 1 d . . . . .
Au4 Au 0.16947(4) 0.23229(2) 0.33514(4) 0.02446(16) Uani 1 1 d . . . . .
Pd2 Pd 0.39276(8) 0.22551(4) 0.38142(8) 0.0259(3) Uani 1 1 d . . . . .
S3 S 0.3892(3) 0.27994(12) 0.4423(3) 0.0284(10) Uani 1 1 d . . . . .
S4 S 0.2758(3) 0.20215(11) 0.4182(3) 0.0248(9) Uani 1 1 d . . . . .
P3 P 0.1583(3) 0.32815(12) 0.2831(3) 0.0279(11) Uani 1 1 d . . . . .
P4 P 0.0562(3) 0.25934(12) 0.2644(3) 0.0260(10) Uani 1 1 d . . . . .
O5 O 0.6741(8) 0.3029(4) 0.4090(8) 0.050(3) Uani 1 1 d . . . . .
O6 O 0.6099(9) 0.2868(4) 0.2869(9) 0.056(4) Uani 1 1 d . . . . .
O7 O 0.4159(8) 0.1035(3) 0.3166(9) 0.045(4) Uani 1 1 d . . . . .
O8 O 0.2899(8) 0.1012(3) 0.2399(7) 0.042(3) Uani 1 1 d . . . . .
N3 N 0.5006(8) 0.2443(4) 0.3458(9) 0.032(4) Uani 1 1 d . . . . .
H3 H 0.5374 0.2259 0.3473 0.038 Uiso 1 1 calc R U . . .
H3A H 0.4878 0.2519 0.2941 0.038 Uiso 1 1 calc R U . . .
N4 N 0.4045(9) 0.1764(5) 0.3344(10) 0.042(4) Uani 1 1 d . . . . .
H4C H 0.4289 0.1788 0.2903 0.050 Uiso 1 1 calc R U . . .
H4D H 0.4395 0.1632 0.3707 0.050 Uiso 1 1 calc R U . . .
C36 C 0.4803(11) 0.3034(5) 0.4081(12) 0.037(5) Uani 1 1 d . . . . .
C37 C 0.5405(11) 0.2733(5) 0.3945(10) 0.034(4) Uani 1 1 d . . . . .
H37 H 0.5630 0.2630 0.4482 0.041 Uiso 1 1 calc R U . . .
C38 C 0.6172(10) 0.2893(5) 0.3607(13) 0.037(5) Uani 1 1 d . . . . .
C39 C 0.4562(11) 0.3260(5) 0.3364(12) 0.047(5) Uani 1 1 d . . . . .
H39 H 0.4170 0.3445 0.3475 0.071 Uiso 1 1 calc R U . . .
H39A H 0.4296 0.3111 0.2916 0.071 Uiso 1 1 calc R U . . .
H39B H 0.5061 0.3374 0.3225 0.071 Uiso 1 1 calc R U . . .
C40 C 0.5196(12) 0.3264(5) 0.4798(15) 0.059(7) Uani 1 1 d . . . . .
H40 H 0.4878 0.3486 0.4804 0.088 Uiso 1 1 calc R U . . .
H40A H 0.5774 0.3321 0.4751 0.088 Uiso 1 1 calc R U . . .
H40B H 0.5189 0.3131 0.5295 0.088 Uiso 1 1 calc R U . . .
C41 C 0.2782(11) 0.1555(4) 0.3817(10) 0.026(4) Uani 1 1 d . . . . .
C42 C 0.3247(11) 0.1559(4) 0.3110(10) 0.028(4) Uani 1 1 d . . . . .
H42 H 0.2895 0.1680 0.2646 0.034 Uiso 1 1 calc R U . . .
C43 C 0.3456(11) 0.1158(5) 0.2855(11) 0.034(4) Uani 1 1 d . . . . .
C44 C 0.1871(10) 0.1432(4) 0.3538(11) 0.033(4) Uani 1 1 d . . . . .
H44 H 0.1598 0.1591 0.3115 0.050 Uiso 1 1 calc R U . . .
H44A H 0.1570 0.1439 0.3991 0.050 Uiso 1 1 calc R U . . .
H44B H 0.1868 0.1187 0.3331 0.050 Uiso 1 1 calc R U . . .
C45 C 0.3226(13) 0.1337(4) 0.4531(11) 0.044(5) Uani 1 1 d . . . . .
H45 H 0.3165 0.1082 0.4409 0.066 Uiso 1 1 calc R U . . .
H45A H 0.2979 0.1392 0.5005 0.066 Uiso 1 1 calc R U . . .
H45B H 0.3820 0.1400 0.4636 0.066 Uiso 1 1 calc R U . . .
C46 C 0.0593(10) 0.3085(5) 0.2870(11) 0.029(4) Uani 1 1 d . . . . .
H46 H 0.0162 0.3208 0.2481 0.035 Uiso 1 1 calc R U . . .
H46A H 0.0456 0.3123 0.3411 0.035 Uiso 1 1 calc R U . . .
C47 C 0.1755(10) 0.3251(4) 0.1814(9) 0.019(4) Uani 1 1 d . U . . .
C48 C 0.2458(13) 0.3110(5) 0.1649(13) 0.045(6) Uani 1 1 d . . . . .
H48 H 0.2879 0.3029 0.2069 0.054 Uiso 1 1 calc R U . . .
C49 C 0.2573(13) 0.3083(6) 0.0828(13) 0.049(6) Uani 1 1 d . . . . .
H49 H 0.3079 0.2986 0.0713 0.059 Uiso 1 1 calc R U . . .
C50 C 0.1979(18) 0.3191(6) 0.0216(15) 0.061(7) Uani 1 1 d . . . . .
H50 H 0.2057 0.3168 -0.0324 0.073 Uiso 1 1 calc R U . . .
C51 C 0.1265(18) 0.3335(6) 0.0401(14) 0.066(8) Uani 1 1 d . . . . .
H51 H 0.0849 0.3419 -0.0021 0.079 Uiso 1 1 calc R U . . .
C52 C 0.1124(12) 0.3362(5) 0.1178(11) 0.039(5) Uani 1 1 d . . . . .
H52 H 0.0611 0.3455 0.1285 0.047 Uiso 1 1 calc R U . . .
C53 C 0.1393(13) 0.3770(5) 0.3016(13) 0.043(5) Uani 1 1 d . . . . .
C54 C 0.2087(13) 0.3973(5) 0.3340(10) 0.037(5) Uani 1 1 d . . . . .
H54 H 0.2621 0.3864 0.3470 0.044 Uiso 1 1 calc R U . . .
C55 C 0.1989(14) 0.4335(5) 0.3469(12) 0.041(5) Uani 1 1 d . . . . .
H55 H 0.2431 0.4477 0.3746 0.050 Uiso 1 1 calc R U . . .
C56 C 0.1189(14) 0.4484(6) 0.3163(14) 0.049(6) Uani 1 1 d . . . . .
H56 H 0.1107 0.4735 0.3190 0.059 Uiso 1 1 calc R U . . .
C57 C 0.0566(15) 0.4278(5) 0.2846(18) 0.068(8) Uani 1 1 d . . . . .
H57 H 0.0034 0.4385 0.2685 0.082 Uiso 1 1 calc R U . . .
C58 C 0.0642(13) 0.3921(6) 0.2734(14) 0.055(6) Uani 1 1 d . U . . .
H58 H 0.0188 0.3782 0.2470 0.066 Uiso 1 1 calc R U . . .
C59 C -0.0422(10) 0.2438(5) 0.2858(10) 0.031(4) Uani 1 1 d . . . . .
C60 C -0.0956(12) 0.2643(5) 0.3228(12) 0.042(5) Uani 1 1 d . . . . .
H60 H -0.0816 0.2881 0.3391 0.051 Uiso 1 1 calc R U . . .
C61 C -0.1716(13) 0.2487(7) 0.3356(14) 0.061(7) Uani 1 1 d . . . . .
H61 H -0.2094 0.2630 0.3587 0.073 Uiso 1 1 calc R U . . .
C62 C -0.1922(14) 0.2150(6) 0.3165(13) 0.053(6) Uani 1 1 d . . . . .
H62 H -0.2426 0.2050 0.3278 0.064 Uiso 1 1 calc R U . . .
C63 C -0.1386(12) 0.1952(5) 0.2802(12) 0.044(5) Uani 1 1 d . U . . .
H63 H -0.1535 0.1714 0.2640 0.053 Uiso 1 1 calc R U . . .
C64 C -0.0650(12) 0.2086(5) 0.2667(11) 0.040(5) Uani 1 1 d . . . . .
H64 H -0.0282 0.1937 0.2437 0.048 Uiso 1 1 calc R U . . .
C65 C 0.0452(10) 0.2556(4) 0.1558(10) 0.027(4) Uani 1 1 d . . . . .
C66 C 0.1110(11) 0.2427(5) 0.1212(11) 0.031(4) Uani 1 1 d . . . . .
H66 H 0.1626 0.2364 0.1536 0.037 Uiso 1 1 calc R U . . .
C67 C 0.1002(14) 0.2394(5) 0.0411(13) 0.044(5) Uani 1 1 d . . . . .
H67 H 0.1443 0.2296 0.0179 0.053 Uiso 1 1 calc R U . . .
C68 C 0.0308(15) 0.2492(5) -0.0069(13) 0.050(6) Uani 1 1 d . . . . .
H68 H 0.0261 0.2461 -0.0631 0.060 Uiso 1 1 calc R U . . .
C69 C -0.0331(16) 0.2637(6) 0.0233(14) 0.062(7) Uani 1 1 d . . . . .
H69 H -0.0822 0.2715 -0.0109 0.075 Uiso 1 1 calc R U . . .
C70 C -0.0248(13) 0.2668(5) 0.1072(12) 0.044(5) Uani 1 1 d . . . . .
H70 H -0.0690 0.2769 0.1299 0.053 Uiso 1 1 calc R U . . .
Au5 Au 0.74729(4) 0.08779(2) 0.09947(5) 0.02993(18) Uani 1 1 d . . . . .
Au6 Au 0.71571(4) 0.00821(2) 0.09976(5) 0.03147(18) Uani 1 1 d . . . . .
Pd3 Pd 0.53878(8) 0.06391(4) 0.07244(8) 0.0299(3) Uani 1 1 d . . . . .
S5 S 0.6209(3) 0.10419(12) 0.0228(3) 0.0308(11) Uani 1 1 d . . . . .
S6 S 0.5905(3) 0.01539(13) 0.0139(3) 0.0364(11) Uani 1 1 d . . . . .
P5 P 0.8719(3) 0.07901(12) 0.1808(3) 0.0267(11) Uani 1 1 d . . . . .
P6 P 0.8415(3) -0.00249(12) 0.1763(3) 0.0296(11) Uani 1 1 d . . . . .
O9 O 0.4706(16) 0.2047(4) 0.0884(11) 0.125(9) Uani 1 1 d D U . . .
O10 O 0.4408(14) 0.1680(4) 0.1805(11) 0.102(7) Uani 1 1 d D U . . .
O11 O 0.3481(11) -0.0232(5) 0.1328(12) 0.074(5) Uani 1 1 d . . . . .
O12 O 0.4418(9) -0.0677(4) 0.1552(9) 0.062(4) Uani 1 1 d . . . . .
N5 N 0.4891(8) 0.1081(4) 0.1188(9) 0.035(4) Uani 1 1 d . . . . .
H5C H 0.4337 0.1042 0.1178 0.042 Uiso 1 1 calc R U . . .
H5D H 0.5136 0.1106 0.1709 0.042 Uiso 1 1 calc R U . . .
N6 N 0.4607(9) 0.0275(4) 0.1166(10) 0.041(4) Uani 1 1 d . . . . .
H6 H 0.4566 0.0338 0.1676 0.049 Uiso 1 1 calc R U . . .
H6A H 0.4088 0.0290 0.0866 0.049 Uiso 1 1 calc R U . . .
C71 C 0.5888(13) 0.1463(5) 0.0660(11) 0.039(5) Uani 1 1 d . . . . .
C72 C 0.4993(11) 0.1420(5) 0.0759(12) 0.040(5) Uani 1 1 d D U . . .
H72 H 0.4653 0.1398 0.0211 0.047 Uiso 1 1 calc R U . . .
C73 C 0.4643(16) 0.1742(5) 0.1170(11) 0.065(6) Uani 1 1 d D U . . .
C74 C 0.6442(11) 0.1555(5) 0.1480(11) 0.044(5) Uani 1 1 d . . . . .
H74 H 0.6283 0.1790 0.1661 0.065 Uiso 1 1 calc R U . . .
H74A H 0.7030 0.1559 0.1418 0.065 Uiso 1 1 calc R U . . .
H74B H 0.6361 0.1373 0.1875 0.065 Uiso 1 1 calc R U . . .
C75 C 0.5975(15) 0.1753(5) -0.0004(17) 0.078(9) Uani 1 1 d . . . . .
H75 H 0.5801 0.1987 0.0169 0.116 Uiso 1 1 calc R U . . .
H75A H 0.5620 0.1685 -0.0508 0.116 Uiso 1 1 calc R U . . .
H75B H 0.6557 0.1765 -0.0081 0.116 Uiso 1 1 calc R U . . .
C76 C 0.5185(12) -0.0199(5) 0.0355(13) 0.041(5) Uani 1 1 d . . . . .
C77 C 0.4896(10) -0.0111(5) 0.1167(12) 0.040(5) Uani 1 1 d . . . . .
H77 H 0.5394 -0.0135 0.1600 0.048 Uiso 1 1 calc R U . . .
C78 C 0.4237(14) -0.0360(6) 0.1364(12) 0.051(5) Uani 1 1 d . . . . .
C79 C 0.5623(11) -0.0558(5) 0.0390(13) 0.045(5) Uani 1 1 d . . . . .
H79 H 0.5222 -0.0749 0.0435 0.068 Uiso 1 1 calc R U . . .
H79A H 0.6072 -0.0565 0.0856 0.068 Uiso 1 1 calc R U . . .
H79B H 0.5859 -0.0592 -0.0099 0.068 Uiso 1 1 calc R U . . .
C80 C 0.4441(11) -0.0199(5) -0.0363(12) 0.053(6) Uani 1 1 d . . . . .
H80 H 0.4638 -0.0280 -0.0848 0.080 Uiso 1 1 calc R U . . .
H80A H 0.4215 0.0044 -0.0446 0.080 Uiso 1 1 calc R U . . .
H80B H 0.4005 -0.0361 -0.0245 0.080 Uiso 1 1 calc R U . . .
C81 C 0.9140(11) 0.0338(4) 0.1734(10) 0.029(4) Uani 1 1 d . . . . .
H81 H 0.9362 0.0321 0.1227 0.035 Uiso 1 1 calc R U . . .
H81A H 0.9615 0.0305 0.2178 0.035 Uiso 1 1 calc R U . . .
C82 C 0.8655(11) 0.0864(5) 0.2855(12) 0.035(5) Uani 1 1 d . . . . .
C83 C 0.7904(14) 0.0905(7) 0.3080(12) 0.054(6) Uani 1 1 d . . . . .
H83 H 0.7411 0.0893 0.2690 0.065 Uiso 1 1 calc R U . . .
C84 C 0.7848(16) 0.0962(7) 0.3855(15) 0.069(8) Uani 1 1 d . . . . .
H84 H 0.7315 0.0992 0.4002 0.083 Uiso 1 1 calc R U . . .
C85 C 0.8526(19) 0.0978(7) 0.4415(13) 0.067(8) Uani 1 1 d . . . . .
H85 H 0.8471 0.1008 0.4960 0.080 Uiso 1 1 calc R U . . .
C86 C 0.9302(16) 0.0952(7) 0.4214(14) 0.064(7) Uani 1 1 d . . . . .
H86 H 0.9788 0.0982 0.4607 0.077 Uiso 1 1 calc R U . . .
C87 C 0.9366(14) 0.0880(6) 0.3425(12) 0.051(6) Uani 1 1 d . . . . .
H87 H 0.9897 0.0842 0.3279 0.062 Uiso 1 1 calc R U . . .
C88 C 0.9532(11) 0.1075(5) 0.1561(11) 0.035(5) Uani 1 1 d . . . . .
C89 C 0.9293(12) 0.1389(4) 0.1093(10) 0.026(4) Uani 1 1 d . . . . .
H89 H 0.8723 0.1453 0.0942 0.031 Uiso 1 1 calc R U . . .
C90 C 0.9896(13) 0.1588(5) 0.0875(13) 0.045(5) Uani 1 1 d . . . . .
H90 H 0.9739 0.1793 0.0554 0.054 Uiso 1 1 calc R U . . .
C91 C 1.0725(12) 0.1514(5) 0.1088(11) 0.037(5) Uani 1 1 d . . . . .
H91 H 1.1134 0.1665 0.0924 0.044 Uiso 1 1 calc R U . . .
C92 C 1.0956(12) 0.1216(5) 0.1543(12) 0.046(5) Uani 1 1 d . . . . .
H92 H 1.1529 0.1159 0.1696 0.056 Uiso 1 1 calc R U . . .
C93 C 1.0355(10) 0.1000(5) 0.1777(11) 0.032(4) Uani 1 1 d . . . . .
H93 H 1.0521 0.0795 0.2096 0.038 Uiso 1 1 calc R U . . .
C94 C 0.8960(12) -0.0394(4) 0.1389(12) 0.034(5) Uani 1 1 d . . . . .
C95 C 0.9558(13) -0.0576(5) 0.1896(19) 0.070(8) Uani 1 1 d . . . . .
H95 H 0.9659 -0.0516 0.2448 0.084 Uiso 1 1 calc R U . . .
C96 C 1.0036(15) -0.0857(7) 0.1615(18) 0.071(8) Uani 1 1 d . . . . .
H96 H 1.0449 -0.0986 0.1967 0.085 Uiso 1 1 calc R U . . .
C97 C 0.9870(17) -0.0925(7) 0.0837(18) 0.069(8) Uani 1 1 d . . . . .
H97 H 1.0177 -0.1108 0.0630 0.083 Uiso 1 1 calc R U . . .
C98 C 0.9261(18) -0.0739(6) 0.0301(17) 0.068(8) Uani 1 1 d . . . . .
H98 H 0.9156 -0.0798 -0.0252 0.081 Uiso 1 1 calc R U . . .
C99 C 0.8825(14) -0.0473(6) 0.0595(15) 0.053(6) Uani 1 1 d . . . . .
H99 H 0.8421 -0.0341 0.0239 0.063 Uiso 1 1 calc R U . . .
C100 C 0.8371(11) -0.0120(5) 0.2768(12) 0.032(4) Uani 1 1 d . . . . .
C101 C 0.7683(12) -0.0305(6) 0.2993(15) 0.056(6) Uani 1 1 d . . . . .
H101 H 0.7230 -0.0369 0.2586 0.067 Uiso 1 1 calc R U . . .
C102 C 0.7640(14) -0.0395(6) 0.3762(13) 0.044(5) Uani 1 1 d . U . . .
H102 H 0.7163 -0.0516 0.3881 0.052 Uiso 1 1 calc R U . . .
C103 C 0.8259(16) -0.0315(5) 0.4340(15) 0.057(7) Uani 1 1 d . . . . .
H103 H 0.8225 -0.0381 0.4874 0.069 Uiso 1 1 calc R U . . .
C104 C 0.8943(17) -0.0139(7) 0.4192(16) 0.069(8) Uani 1 1 d . . . . .
H104 H 0.9377 -0.0081 0.4622 0.083 Uiso 1 1 calc R U . . .
C105 C 0.9016(14) -0.0041(5) 0.3390(13) 0.049(6) Uani 1 1 d . . . . .
H105 H 0.9503 0.0077 0.3286 0.058 Uiso 1 1 calc R U . . .
Au7 Au 0.80639(4) 0.83741(2) 0.41917(4) 0.02772(17) Uani 1 1 d . . . . .
Au8 Au 0.77109(4) 0.75720(2) 0.40830(4) 0.02642(16) Uani 1 1 d . . . . .
Pd4 Pd 0.99148(8) 0.78494(3) 0.45139(8) 0.0269(3) Uani 1 1 d . . . . .
S7 S 0.9378(3) 0.83474(12) 0.4994(3) 0.0298(10) Uani 1 1 d . . . . .
S8 S 0.8975(3) 0.74667(11) 0.4913(3) 0.0267(10) Uani 1 1 d . . . . .
P7 P 0.6794(3) 0.84671(12) 0.3419(3) 0.0250(10) Uani 1 1 d . . . . .
P8 P 0.6423(3) 0.76503(12) 0.3332(3) 0.0247(10) Uani 1 1 d . . . . .
O13 O 1.1937(10) 0.8981(4) 0.4772(12) 0.085(6) Uani 1 1 d . . . . .
O14 O 1.1473(13) 0.8786(6) 0.3570(13) 0.098(7) Uani 1 1 d . . . . .
O15 O 1.1098(8) 0.6720(4) 0.4091(10) 0.063(4) Uani 1 1 d . . . . .
O16 O 0.9947(9) 0.6524(4) 0.3314(10) 0.060(4) Uani 1 1 d . . . . .
N7 N 1.0786(9) 0.8184(4) 0.4180(10) 0.036(4) Uani 1 1 d . . . . .
H7A H 1.1284 0.8067 0.4243 0.043 Uiso 1 1 calc R U . . .
H7B H 1.0635 0.8236 0.3651 0.043 Uiso 1 1 calc R U . . .
N8 N 1.0468(9) 0.7405(4) 0.4125(10) 0.038(4) Uani 1 1 d . . . . .
H8 H 1.0675 0.7461 0.3675 0.045 Uiso 1 1 calc R U . . .
H8A H 1.0904 0.7337 0.4506 0.045 Uiso 1 1 calc R U . . .
C106 C 1.0021(11) 0.8704(5) 0.4641(13) 0.041(5) Uani 1 1 d . . . . .
C107 C 1.0896(12) 0.8518(5) 0.4632(12) 0.044(5) Uani 1 1 d . . . . .
H107 H 1.1146 0.8459 0.5197 0.053 Uiso 1 1 calc R U . . .
C108 C 1.1518(12) 0.8776(5) 0.4290(16) 0.048(6) Uani 1 1 d . . . . .
C109 C 0.9653(11) 0.8833(5) 0.3804(11) 0.040(5) Uani 1 1 d . . . . .
H109 H 0.9072 0.8905 0.3791 0.061 Uiso 1 1 calc R U . . .
H110 H 0.9674 0.8639 0.3419 0.061 Uiso 1 1 calc R U . . .
H111 H 0.9975 0.9038 0.3664 0.061 Uiso 1 1 calc R U . . .
C110 C 1.0113(14) 0.9014(5) 0.5287(14) 0.062(6) Uani 1 1 d . . . . .
H112 H 1.0537 0.9185 0.5180 0.093 Uiso 1 1 calc R U . . .
H113 H 1.0280 0.8912 0.5823 0.093 Uiso 1 1 calc R U . . .
H114 H 0.9577 0.9138 0.5258 0.093 Uiso 1 1 calc R U . . .
C111 C 0.9406(11) 0.7017(5) 0.4614(11) 0.034(5) Uani 1 1 d . . . . .
C112 C 0.9860(12) 0.7091(4) 0.3943(11) 0.035(4) Uani 1 1 d . . . . .
H115 H 0.9442 0.7152 0.3458 0.042 Uiso 1 1 calc R U . . .
C113 C 1.0363(12) 0.6746(5) 0.3748(14) 0.043(5) Uani 1 1 d . . . . .
C114 C 0.8677(12) 0.6773(4) 0.4399(11) 0.040(5) Uani 1 1 d . . . . .
H116 H 0.8340 0.6852 0.3893 0.060 Uiso 1 1 calc R U . . .
H117 H 0.8336 0.6779 0.4822 0.060 Uiso 1 1 calc R U . . .
H118 H 0.8875 0.6529 0.4340 0.060 Uiso 1 1 calc R U . . .
C115 C 0.9966(12) 0.6889(5) 0.5420(12) 0.051(5) Uani 1 1 d . . . . .
H119 H 0.9627 0.6878 0.5844 0.076 Uiso 1 1 calc R U . . .
H120 H 1.0426 0.7059 0.5573 0.076 Uiso 1 1 calc R U . . .
H121 H 1.0193 0.6652 0.5343 0.076 Uiso 1 1 calc R U . . .
C116 C 0.6032(10) 0.8099(5) 0.3448(10) 0.029(4) Uani 1 1 d . . . . .
H122 H 0.5828 0.8111 0.3964 0.035 Uiso 1 1 calc R U . . .
H123 H 0.5548 0.8141 0.3018 0.035 Uiso 1 1 calc R U . . .
C117 C 0.6815(10) 0.8557(5) 0.2375(11) 0.029(4) Uani 1 1 d . . . . .
C118 C 0.7540(12) 0.8719(5) 0.2197(11) 0.036(5) Uani 1 1 d . . . . .
H124 H 0.7994 0.8773 0.2612 0.044 Uiso 1 1 calc R U . . .
C119 C 0.7587(15) 0.8800(6) 0.1405(14) 0.056(7) Uani 1 1 d . . . . .
H125 H 0.8077 0.8906 0.1276 0.068 Uiso 1 1 calc R U . . .
C120 C 0.6945(15) 0.8728(6) 0.0829(14) 0.050(6) Uani 1 1 d . U . . .
H126 H 0.6989 0.8784 0.0292 0.060 Uiso 1 1 calc R U . . .
C121 C 0.6223(17) 0.8577(6) 0.0983(13) 0.058(7) Uani 1 1 d . . . . .
H127 H 0.5762 0.8537 0.0566 0.069 Uiso 1 1 calc R U . . .
C122 C 0.6189(13) 0.8484(5) 0.1770(12) 0.041(5) Uani 1 1 d . . . . .
H128 H 0.5707 0.8365 0.1884 0.049 Uiso 1 1 calc R U . . .
C123 C 0.6261(11) 0.8841(5) 0.3774(12) 0.039(5) Uani 1 1 d . . . . .
C124 C 0.5726(13) 0.9068(5) 0.3214(12) 0.041(5) Uani 1 1 d . . . . .
H129 H 0.5670 0.9038 0.2651 0.049 Uiso 1 1 calc R U . . .
C125 C 0.5287(12) 0.9340(6) 0.3563(17) 0.057(7) Uani 1 1 d . . . . .
H130 H 0.4912 0.9491 0.3224 0.069 Uiso 1 1 calc R U . . .
C126 C 0.5398(14) 0.9389(6) 0.4404(17) 0.060(7) Uani 1 1 d . . . . .
H131 H 0.5109 0.9574 0.4626 0.072 Uiso 1 1 calc R U . . .
C127 C 0.5921(13) 0.9168(6) 0.4886(13) 0.046(5) Uani 1 1 d . . . . .
H132 H 0.5974 0.9195 0.5450 0.055 Uiso 1 1 calc R U . . .
C128 C 0.6366(12) 0.8913(5) 0.4594(11) 0.034(5) Uani 1 1 d . . . . .
H133 H 0.6761 0.8778 0.4952 0.041 Uiso 1 1 calc R U . . .
C129 C 0.5612(10) 0.7371(5) 0.3603(10) 0.027(4) Uani 1 1 d . . . . .
C130 C 0.4832(11) 0.7489(5) 0.3606(10) 0.033(4) Uani 1 1 d . . . . .
H134 H 0.4702 0.7732 0.3472 0.040 Uiso 1 1 calc R U . . .
C131 C 0.4217(12) 0.7269(6) 0.3796(12) 0.046(5) Uani 1 1 d . . . . .
H135 H 0.3665 0.7357 0.3763 0.055 Uiso 1 1 calc R U . . .
C132 C 0.4400(12) 0.6915(5) 0.4037(12) 0.039(5) Uani 1 1 d . . . . .
H136 H 0.3990 0.6765 0.4202 0.047 Uiso 1 1 calc R U . . .
C133 C 0.5175(12) 0.6796(5) 0.4025(11) 0.037(5) Uani 1 1 d . . . . .
H137 H 0.5312 0.6555 0.4166 0.044 Uiso 1 1 calc R U . . .
C134 C 0.5799(11) 0.7027(5) 0.3804(11) 0.033(5) Uani 1 1 d . . . . .
H138 H 0.6345 0.6938 0.3798 0.039 Uiso 1 1 calc R U . . .
C135 C 0.6386(11) 0.7570(5) 0.2284(11) 0.031(4) Uani 1 1 d . . . . .
C136 C 0.7095(15) 0.7473(6) 0.1997(15) 0.061(7) Uani 1 1 d . . . . .
H139 H 0.7600 0.7460 0.2371 0.073 Uiso 1 1 calc R U . . .
C137 C 0.7130(18) 0.7389(7) 0.1187(13) 0.068(8) Uani 1 1 d . . . . .
H140 H 0.7626 0.7312 0.1013 0.082 Uiso 1 1 calc R U . . .
C138 C 0.638(2) 0.7430(7) 0.0674(14) 0.072(8) Uani 1 1 d . . . . .
H141 H 0.6370 0.7393 0.0118 0.086 Uiso 1 1 calc R U . . .
C139 C 0.5671(18) 0.7518(6) 0.0912(13) 0.065(8) Uani 1 1 d . . . . .
H142 H 0.5171 0.7537 0.0533 0.078 Uiso 1 1 calc R U . . .
C140 C 0.5661(14) 0.7586(6) 0.1751(14) 0.055(6) Uani 1 1 d . . . . .
H143 H 0.5153 0.7642 0.1927 0.066 Uiso 1 1 calc R U . . .
O17 O 0.2604(10) 0.6994(5) 0.4958(11) 0.079(5) Uani 1 1 d . . . . .
O18 O 0.3936(10) 0.6815(4) 0.6190(13) 0.082(6) Uani 1 1 d . . . . .
O19 O 0.7567(13) 0.6647(5) 0.9812(12) 0.098(7) Uani 1 1 d . . . . .
O20 O 0.4226(9) 0.6120(4) 0.6983(9) 0.064(4) Uani 1 1 d . . . . .
O21 O 0.7095(12) 0.6300(5) 0.3376(10) 0.105(7) Uani 1 1 d D . . . .
O22 O 0.3824(12) 0.5374(5) 0.6896(17) 0.130(9) Uani 1 1 d . . . . .
O23 O 0.5500(9) 0.5333(4) 0.7093(9) 0.063(4) Uani 1 1 d . . . . .
O24 O 0.6551(13) 0.4931(5) 0.6358(15) 0.125(9) Uani 1 1 d . . . . .
O25 O 0.6837(17) 0.5124(8) 0.4940(17) 0.184(13) Uani 1 1 d . . . . .
O26 O 0.5676(15) 0.4798(7) 0.3867(17) 0.151(10) Uani 1 1 d . . . . .
O27 O 0.5866(13) 0.4123(5) 0.4245(13) 0.107(7) Uani 1 1 d . . . . .
O28 O 0.6646(10) 0.4191(5) 0.5929(13) 0.099(7) Uani 1 1 d . . . . .
O29 O 0.6362(9) 0.3913(4) 0.7440(10) 0.069(5) Uani 1 1 d . . . . .
O30 O 0.8039(9) 0.3771(4) 0.7901(9) 0.067(4) Uani 1 1 d . . . . .
O31 O 0.5896(9) 0.3201(4) 0.7636(11) 0.078(5) Uani 1 1 d . . . . .
O32 O 0.8245(12) 0.3225(5) 0.9040(10) 0.097(6) Uani 1 1 d . . . . .
O33 O 0.1850(17) 0.6237(10) 0.3413(17) 0.180(14) Uani 1 1 d . . . . .
O34 O 0.7322(10) 0.2918(5) 0.6971(10) 0.089(6) Uani 1 1 d . . . . .
O35 O 0.7651(8) 0.2751(4) 0.5470(9) 0.056(4) Uani 1 1 d . . . . .
O36 O 0.2918(15) 0.2126(6) 0.1390(17) 0.136(10) Uani 1 1 d . . . . .
O37 O 0.3043(9) 0.0965(4) 0.0816(9) 0.063(4) Uani 1 1 d . . . . .
O38 O 0.2226(18) 0.0385(7) 0.2725(17) 0.060(8) Uiso 0.5 1 d . . P A 2
O39 O 0.2724(10) 0.0283(4) 0.0211(10) 0.080(5) Uani 1 1 d . . . . .
O40 O 0.2157(13) 0.9798(8) 0.8973(14) 0.132(9) Uani 1 1 d . . . . .
O41 O 0.3866(11) 0.9947(5) 0.7514(12) 0.093(6) Uani 1 1 d . . . . .
O42 O 0.1993(11) 0.9471(6) 0.1445(13) 0.103(7) Uani 1 1 d . . . . .
O43 O 0.3189(13) 0.9373(5) 0.8107(14) 0.104(7) Uani 1 1 d . . . . .
O44 O 0.1915(11) 0.9225(5) 0.9952(13) 0.099(6) Uani 1 1 d . . . . .
O45 O 0.3467(11) 0.8890(4) 0.0363(11) 0.084(5) Uani 1 1 d . . . . .
O46 O 0.1001(11) 0.8603(5) 0.9505(12) 0.082(6) Uani 1 1 d . . . . .
O47 O 0.1760(14) 0.9008(7) 0.7163(13) 0.126(9) Uani 1 1 d . . . . .
O48 O 0.1262(10) 0.8452(5) 0.7970(11) 0.087(6) Uani 1 1 d . . . . .
O49 O 0.2750(12) 0.8707(5) 0.6208(12) 0.089(6) Uani 1 1 d . . . . .
O50 O 0.3889(13) 0.8745(6) 0.8862(14) 0.117(8) Uani 1 1 d . . . . .
O51 O 0.3486(14) 0.8171(5) 0.0862(14) 0.116(8) Uani 1 1 d . . . . .
O52 O 0.359(3) 0.7713(12) 0.933(3) 0.15(2) Uiso 0.5 1 d D . P B 1
O53 O 0.5676(15) 0.7623(7) 0.8278(11) 0.126(9) Uani 1 1 d . . . . .
O54 O 0.9547(18) 0.0839(6) 0.6556(16) 0.170(13) Uani 1 1 d . . . . .
O55 O 0.2365(13) 0.0300(5) 0.7188(12) 0.099(6) Uani 1 1 d . . . . .
O56 O 0.1370(16) 0.9731(6) 0.6499(18) 0.158(11) Uani 1 1 d . . . . .
O57 O 0.8867(11) 0.6683(6) 0.1133(12) 0.093(7) Uani 1 1 d . . . . .
O58 O 0.8413(11) 0.6354(5) 0.2515(10) 0.097(6) Uani 1 1 d . . . . .
O59 O 0.9580(9) 0.3170(4) 0.7584(9) 0.056(4) Uani 1 1 d . . . . .
C141 C 1.0369(15) 0.3180(5) 0.8104(14) 0.059(6) Uani 1 1 d . . . . .
H144 H 1.0286 0.3129 0.8658 0.070 Uiso 1 1 calc R U . . .
H145 H 1.0606 0.3424 0.8096 0.070 Uiso 1 1 calc R U . . .
C142 C 1.0974(16) 0.2918(7) 0.7874(16) 0.078(8) Uani 1 1 d . . . . .
H146 H 1.1502 0.2936 0.8248 0.117 Uiso 1 1 calc R U . . .
H147 H 1.0748 0.2676 0.7892 0.117 Uiso 1 1 calc R U . . .
H148 H 1.1068 0.2970 0.7331 0.117 Uiso 1 1 calc R U . . .
O60 O 0.106(3) 0.0031(11) 0.217(3) 0.108(13) Uiso 0.5 1 d . . P C 1
O61 O 0.118(3) 0.0681(13) 0.504(3) 0.135(17) Uiso 0.5 1 d . . P D 1
O62 O 0.118(3) 0.0088(11) 0.135(3) 0.111(13) Uiso 0.5 1 d . . P E 2
O63 O 0.108(3) 0.9582(13) 0.350(3) 0.147(18) Uiso 0.5 1 d . . P F 2
O64 O 0.511(3) 0.8244(12) 0.888(3) 0.111(14) Uiso 0.5 1 d . . P G 1
O65 O 1.009(2) 0.0244(10) 0.602(2) 0.085(11) Uiso 0.5 1 d . . P H 2
O66 O 0.7496(16) 0.5699(5) 0.4094(15) 0.050(7) Uiso 0.5 1 d D . P I 2
O67 O 0.171(2) 0.9720(9) 0.493(2) 0.077(10) Uiso 0.5 1 d . . P J 1
O68 O 0.2888(13) 0.8111(8) 0.8148(15) 0.195(17) Uani 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.266(4) . ?
Au1 S1 2.329(4) . ?
Au1 Au2 3.0452(10) . ?
Au2 P2 2.275(5) . ?
Au2 S2 2.320(5) . ?
Pd1 N1 2.049(15) . ?
Pd1 N2 2.065(19) . ?
Pd1 S1 2.275(5) . ?
Pd1 S2 2.312(5) . ?
S1 C1 1.892(18) . ?
S2 C6 1.889(19) . ?
P1 C12 1.811(17) . ?
P1 C11 1.818(17) . ?
P1 C18 1.834(17) . ?
P2 C30 1.79(2) . ?
P2 C11 1.802(18) . ?
P2 C24 1.805(18) . ?
O1 C3 1.26(3) . ?
O2 C3 1.23(3) . ?
N1 C2 1.43(2) . ?
N2 C7 1.45(2) . ?
C1 C4 1.50(3) . ?
C1 C5 1.52(3) . ?
C1 C2 1.54(3) . ?
C2 C3 1.53(3) . ?
O3 C8 1.26(3) . ?
O4 C8 1.21(3) . ?
C6 C10 1.49(3) . ?
C6 C9 1.55(3) . ?
C6 C7 1.55(3) . ?
C7 C8 1.59(3) . ?
C12 C13 1.32(3) . ?
C12 C17 1.36(3) . ?
C13 C14 1.43(3) . ?
C14 C15 1.33(3) . ?
C15 C16 1.32(3) . ?
C16 C17 1.40(3) . ?
C18 C19 1.36(2) . ?
C18 C23 1.40(3) . ?
C19 C20 1.35(3) . ?
C20 C21 1.43(4) . ?
C21 C22 1.30(3) . ?
C22 C23 1.40(3) . ?
C24 C29 1.35(3) . ?
C24 C25 1.40(3) . ?
C25 C26 1.44(3) . ?
C26 C27 1.40(3) . ?
C27 C28 1.32(3) . ?
C28 C29 1.39(3) . ?
C30 C35 1.37(3) . ?
C30 C31 1.45(3) . ?
C31 C32 1.37(3) . ?
C32 C33 1.36(3) . ?
C33 C34 1.36(3) . ?
C34 C35 1.43(3) . ?
Au3 P3 2.275(5) . ?
Au3 S3 2.335(4) . ?
Au3 Au4 3.0846(10) . ?
Au4 P4 2.259(4) . ?
Au4 S4 2.327(4) . ?
Pd2 N4 2.025(17) . ?
Pd2 N3 2.074(13) . ?
Pd2 S4 2.276(5) . ?
Pd2 S3 2.287(5) . ?
S3 C36 1.90(2) . ?
S4 C41 1.853(16) . ?
P3 C46 1.781(17) . ?
P3 C47 1.799(16) . ?
P3 C53 1.89(2) . ?
P4 C59 1.799(18) . ?
P4 C65 1.826(17) . ?
P4 C46 1.877(18) . ?
O5 C38 1.24(2) . ?
O6 C38 1.24(2) . ?
O7 C43 1.26(2) . ?
O8 C43 1.22(2) . ?
N3 C37 1.45(2) . ?
N4 C42 1.50(2) . ?
C36 C39 1.48(3) . ?
C36 C37 1.53(2) . ?
C36 C40 1.54(3) . ?
C37 C38 1.58(2) . ?
C41 C42 1.53(2) . ?
C41 C45 1.53(2) . ?
C41 C44 1.55(2) . ?
C42 C43 1.61(2) . ?
C47 C48 1.33(3) . ?
C47 C52 1.42(2) . ?
C48 C49 1.44(3) . ?
C49 C50 1.35(3) . ?
C50 C51 1.36(4) . ?
C51 C52 1.38(3) . ?
C53 C58 1.35(3) . ?
C53 C54 1.39(3) . ?
C54 C55 1.39(3) . ?
C55 C56 1.43(3) . ?
C56 C57 1.31(3) . ?
C57 C58 1.36(3) . ?
C59 C60 1.39(2) . ?
C59 C64 1.39(2) . ?
C60 C61 1.42(3) . ?
C61 C62 1.33(3) . ?
C62 C63 1.37(3) . ?
C63 C64 1.36(3) . ?
C65 C70 1.35(2) . ?
C65 C66 1.39(2) . ?
C66 C67 1.35(3) . ?
C67 C68 1.33(3) . ?
C68 C69 1.35(3) . ?
C69 C70 1.41(3) . ?
Au5 P5 2.272(4) . ?
Au5 S5 2.320(4) . ?
Au5 Au6 3.0192(10) . ?
Au6 P6 2.264(5) . ?
Au6 S6 2.309(5) . ?
Pd3 N5 2.054(13) . ?
Pd3 N6 2.088(14) . ?
Pd3 S5 2.268(5) . ?
Pd3 S6 2.296(5) . ?
S5 C71 1.85(2) . ?
S6 C76 1.842(19) . ?
P5 C88 1.804(19) . ?
P5 C82 1.82(2) . ?
P5 C81 1.837(16) . ?
P6 C100 1.75(2) . ?
P6 C81 1.804(17) . ?
P6 C94 1.814(18) . ?
O9 C73 1.253(12) . ?
O10 C73 1.224(12) . ?
O11 C78 1.31(3) . ?
O12 C78 1.25(2) . ?
N5 C72 1.48(2) . ?
N6 C77 1.51(2) . ?
C71 C72 1.50(3) . ?
C71 C74 1.56(3) . ?
C71 C75 1.59(3) . ?
C72 C73 1.547(13) . ?
C76 C79 1.52(2) . ?
C76 C80 1.56(2) . ?
C76 C77 1.56(3) . ?
C77 C78 1.50(3) . ?
C82 C83 1.35(3) . ?
C82 C87 1.38(3) . ?
C83 C84 1.35(3) . ?
C84 C85 1.33(3) . ?
C85 C86 1.37(3) . ?
C86 C87 1.39(3) . ?
C88 C93 1.36(2) . ?
C88 C89 1.43(2) . ?
C89 C90 1.33(3) . ?
C90 C91 1.37(3) . ?
C91 C92 1.37(3) . ?
C92 C93 1.38(2) . ?
C94 C99 1.36(3) . ?
C94 C95 1.36(3) . ?
C95 C96 1.44(3) . ?
C96 C97 1.33(3) . ?
C97 C98 1.41(4) . ?
C98 C99 1.37(3) . ?
C100 C105 1.39(3) . ?
C100 C101 1.42(3) . ?
C101 C102 1.36(3) . ?
C102 C103 1.31(3) . ?
C103 C104 1.35(3) . ?
C104 C105 1.43(3) . ?
Au7 P7 2.277(4) . ?
Au7 S7 2.331(4) . ?
Au7 Au8 3.0524(10) . ?
Au8 P8 2.277(4) . ?
Au8 S8 2.319(4) . ?
Pd4 N7 2.042(13) . ?
Pd4 N8 2.053(15) . ?
Pd4 S7 2.267(5) . ?
Pd4 S8 2.280(4) . ?
S7 C106 1.856(19) . ?
S8 C111 1.921(18) . ?
P7 C123 1.80(2) . ?
P7 C117 1.809(19) . ?
P7 C116 1.858(17) . ?
P8 C135 1.795(19) . ?
P8 C129 1.803(18) . ?
P8 C116 1.817(18) . ?
O13 C108 1.24(3) . ?
O14 C108 1.21(3) . ?
O15 C113 1.24(2) . ?
O16 C113 1.23(2) . ?
N7 C107 1.46(2) . ?
N8 C112 1.53(2) . ?
C106 C109 1.52(3) . ?
C106 C107 1.59(3) . ?
C106 C110 1.59(3) . ?
C107 C108 1.58(3) . ?
C111 C112 1.49(2) . ?
C111 C114 1.49(3) . ?
C111 C115 1.58(2) . ?
C112 C113 1.59(2) . ?
C117 C122 1.35(3) . ?
C117 C118 1.40(3) . ?
C118 C119 1.39(3) . ?
C119 C120 1.33(3) . ?
C120 C121 1.37(3) . ?
C121 C122 1.39(3) . ?
C123 C128 1.40(3) . ?
C123 C124 1.45(3) . ?
C124 C125 1.43(3) . ?
C125 C126 1.42(3) . ?
C126 C127 1.35(3) . ?
C127 C128 1.34(3) . ?
C129 C130 1.34(2) . ?
C129 C134 1.35(2) . ?
C130 C131 1.38(2) . ?
C131 C132 1.40(3) . ?
C132 C133 1.34(3) . ?
C133 C134 1.43(3) . ?
C135 C140 1.36(3) . ?
C135 C136 1.38(3) . ?
C136 C137 1.42(3) . ?
C137 C138 1.38(3) . ?
C138 C139 1.33(4) . ?
C139 C140 1.45(3) . ?
O59 C141 1.43(3) . ?
C141 C142 1.49(3) . ?

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 171.22(17) . . ?
P1 Au1 Au2 90.36(12) . . ?
S1 Au1 Au2 98.29(12) . . ?
P2 Au2 S2 176.68(19) . . ?
P2 Au2 Au1 89.11(12) . . ?
S2 Au2 Au1 92.20(13) . . ?
N1 Pd1 N2 93.2(7) . . ?
N1 Pd1 S1 83.7(5) . . ?
N2 Pd1 S1 172.7(5) . . ?
N1 Pd1 S2 173.0(6) . . ?
N2 Pd1 S2 85.5(5) . . ?
S1 Pd1 S2 98.41(18) . . ?
C1 S1 Pd1 99.7(6) . . ?
C1 S1 Au1 104.7(6) . . ?
Pd1 S1 Au1 97.60(18) . . ?
C6 S2 Pd1 98.5(7) . . ?
C6 S2 Au2 107.1(6) . . ?
Pd1 S2 Au2 100.11(18) . . ?
C12 P1 C11 103.8(8) . . ?
C12 P1 C18 107.0(8) . . ?
C11 P1 C18 107.7(8) . . ?
C12 P1 Au1 115.3(6) . . ?
C11 P1 Au1 114.3(6) . . ?
C18 P1 Au1 108.3(5) . . ?
C30 P2 C11 105.5(9) . . ?
C30 P2 C24 104.7(9) . . ?
C11 P2 C24 105.4(8) . . ?
C30 P2 Au2 111.3(7) . . ?
C11 P2 Au2 112.2(6) . . ?
C24 P2 Au2 116.8(6) . . ?
C2 N1 Pd1 116.9(11) . . ?
C7 N2 Pd1 115.7(13) . . ?
C4 C1 C5 115(2) . . ?
C4 C1 C2 108.3(18) . . ?
C5 C1 C2 111.9(18) . . ?
C4 C1 S1 112.4(14) . . ?
C5 C1 S1 106.1(14) . . ?
C2 C1 S1 103.0(12) . . ?
N1 C2 C3 111.2(15) . . ?
N1 C2 C1 108.5(15) . . ?
C3 C2 C1 112.8(16) . . ?
O2 C3 O1 124(2) . . ?
O2 C3 C2 117(2) . . ?
O1 C3 C2 119.1(19) . . ?
C10 C6 C9 114.9(19) . . ?
C10 C6 C7 109.7(18) . . ?
C9 C6 C7 111.4(18) . . ?
C10 C6 S2 106.5(14) . . ?
C9 C6 S2 107.3(15) . . ?
C7 C6 S2 106.6(12) . . ?
N2 C7 C6 109.8(16) . . ?
N2 C7 C8 111.8(17) . . ?
C6 C7 C8 111.1(16) . . ?
O4 C8 O3 128(3) . . ?
O4 C8 C7 116(2) . . ?
O3 C8 C7 115(2) . . ?
P2 C11 P1 114.2(9) . . ?
C13 C12 C17 119.7(19) . . ?
C13 C12 P1 120.5(14) . . ?
C17 C12 P1 119.8(16) . . ?
C12 C13 C14 120(2) . . ?
C15 C14 C13 118(2) . . ?
C16 C15 C14 123(2) . . ?
C15 C16 C17 119(2) . . ?
C12 C17 C16 120(2) . . ?
C19 C18 C23 120.6(18) . . ?
C19 C18 P1 117.3(16) . . ?
C23 C18 P1 122.1(14) . . ?
C20 C19 C18 120(2) . . ?
C19 C20 C21 120(2) . . ?
C22 C21 C20 119(2) . . ?
C21 C22 C23 123(2) . . ?
C22 C23 C18 117(2) . . ?
C29 C24 C25 119.5(19) . . ?
C29 C24 P2 120.0(14) . . ?
C25 C24 P2 120.4(16) . . ?
C24 C25 C26 120(2) . . ?
C27 C26 C25 116(2) . . ?
C28 C27 C26 123(2) . . ?
C27 C28 C29 120(2) . . ?
C24 C29 C28 121(2) . . ?
C35 C30 C31 119(2) . . ?
C35 C30 P2 122.4(18) . . ?
C31 C30 P2 118.9(15) . . ?
C32 C31 C30 121(2) . . ?
C33 C32 C31 118(2) . . ?
C32 C33 C34 123(2) . . ?
C33 C34 C35 121(2) . . ?
C30 C35 C34 118(2) . . ?
P3 Au3 S3 173.72(17) . . ?
P3 Au3 Au4 85.54(12) . . ?
S3 Au3 Au4 98.27(12) . . ?
P4 Au4 S4 173.26(17) . . ?
P4 Au4 Au3 93.36(12) . . ?
S4 Au4 Au3 90.11(11) . . ?
N4 Pd2 N3 92.9(6) . . ?
N4 Pd2 S4 84.2(4) . . ?
N3 Pd2 S4 177.1(4) . . ?
N4 Pd2 S3 175.2(4) . . ?
N3 Pd2 S3 85.3(4) . . ?
S4 Pd2 S3 97.51(16) . . ?
C36 S3 Pd2 101.1(6) . . ?
C36 S3 Au3 107.0(6) . . ?
Pd2 S3 Au3 99.35(17) . . ?
C41 S4 Pd2 101.7(5) . . ?
C41 S4 Au4 108.0(5) . . ?
Pd2 S4 Au4 102.62(18) . . ?
C46 P3 C47 107.5(8) . . ?
C46 P3 C53 102.6(9) . . ?
C47 P3 C53 106.1(9) . . ?
C46 P3 Au3 115.0(6) . . ?
C47 P3 Au3 109.4(5) . . ?
C53 P3 Au3 115.5(6) . . ?
C59 P4 C65 104.0(8) . . ?
C59 P4 C46 105.6(8) . . ?
C65 P4 C46 106.1(8) . . ?
C59 P4 Au4 115.0(6) . . ?
C65 P4 Au4 115.6(6) . . ?
C46 P4 Au4 109.8(5) . . ?
C37 N3 Pd2 114.0(11) . . ?
C42 N4 Pd2 115.6(11) . . ?
C39 C36 C37 112.3(16) . . ?
C39 C36 C40 110.3(18) . . ?
C37 C36 C40 109.8(15) . . ?
C39 C36 S3 113.9(13) . . ?
C37 C36 S3 105.1(13) . . ?
C40 C36 S3 105.0(13) . . ?
N3 C37 C36 113.5(15) . . ?
N3 C37 C38 112.4(15) . . ?
C36 C37 C38 110.1(14) . . ?
O5 C38 O6 129.2(18) . . ?
O5 C38 C37 117.6(18) . . ?
O6 C38 C37 113.2(16) . . ?
C42 C41 C45 113.3(14) . . ?
C42 C41 C44 109.9(14) . . ?
C45 C41 C44 112.4(14) . . ?
C42 C41 S4 107.2(11) . . ?
C45 C41 S4 105.6(11) . . ?
C44 C41 S4 108.0(10) . . ?
N4 C42 C41 108.7(14) . . ?
N4 C42 C43 109.4(13) . . ?
C41 C42 C43 111.1(13) . . ?
O8 C43 O7 128.7(17) . . ?
O8 C43 C42 114.8(15) . . ?
O7 C43 C42 116.5(15) . . ?
P3 C46 P4 112.9(9) . . ?
C48 C47 C52 119.5(17) . . ?
C48 C47 P3 120.5(14) . . ?
C52 C47 P3 119.9(13) . . ?
C47 C48 C49 119(2) . . ?
C50 C49 C48 122(2) . . ?
C49 C50 C51 118(2) . . ?
C50 C51 C52 122(2) . . ?
C51 C52 C47 119(2) . . ?
C58 C53 C54 122.3(19) . . ?
C58 C53 P3 120.4(15) . . ?
C54 C53 P3 116.5(16) . . ?
C55 C54 C53 119(2) . . ?
C54 C55 C56 116.5(19) . . ?
C57 C56 C55 121(2) . . ?
C56 C57 C58 123(2) . . ?
C53 C58 C57 117(2) . . ?
C60 C59 C64 117.7(18) . . ?
C60 C59 P4 124.2(15) . . ?
C64 C59 P4 118.1(15) . . ?
C59 C60 C61 118.4(19) . . ?
C62 C61 C60 123(2) . . ?
C61 C62 C63 118(2) . . ?
C64 C63 C62 121.7(19) . . ?
C63 C64 C59 121(2) . . ?
C70 C65 C66 118.7(17) . . ?
C70 C65 P4 121.1(15) . . ?
C66 C65 P4 120.1(13) . . ?
C67 C66 C65 118.7(18) . . ?
C68 C67 C66 123(2) . . ?
C67 C68 C69 121(2) . . ?
C68 C69 C70 118(2) . . ?
C65 C70 C69 121(2) . . ?
P5 Au5 S5 172.65(16) . . ?
P5 Au5 Au6 89.49(12) . . ?
S5 Au5 Au6 97.26(11) . . ?
P6 Au6 S6 174.92(18) . . ?
P6 Au6 Au5 92.15(12) . . ?
S6 Au6 Au5 90.95(13) . . ?
N5 Pd3 N6 94.8(6) . . ?
N5 Pd3 S5 84.5(4) . . ?
N6 Pd3 S5 178.6(4) . . ?
N5 Pd3 S6 176.9(5) . . ?
N6 Pd3 S6 86.0(4) . . ?
S5 Pd3 S6 94.64(18) . . ?
C71 S5 Pd3 101.2(6) . . ?
C71 S5 Au5 106.6(6) . . ?
Pd3 S5 Au5 98.00(17) . . ?
C76 S6 Pd3 100.7(7) . . ?
C76 S6 Au6 108.3(6) . . ?
Pd3 S6 Au6 99.68(19) . . ?
C88 P5 C82 107.7(8) . . ?
C88 P5 C81 103.3(8) . . ?
C82 P5 C81 106.9(8) . . ?
C88 P5 Au5 112.8(6) . . ?
C82 P5 Au5 112.1(6) . . ?
C81 P5 Au5 113.4(6) . . ?
C100 P6 C81 108.4(8) . . ?
C100 P6 C94 106.8(9) . . ?
C81 P6 C94 101.6(8) . . ?
C100 P6 Au6 114.1(6) . . ?
C81 P6 Au6 112.5(6) . . ?
C94 P6 Au6 112.5(7) . . ?
C72 N5 Pd3 114.5(10) . . ?
C77 N6 Pd3 114.4(10) . . ?
C72 C71 C74 110.2(15) . . ?
C72 C71 C75 111.0(17) . . ?
C74 C71 C75 112.0(18) . . ?
C72 C71 S5 107.3(13) . . ?
C74 C71 S5 112.4(13) . . ?
C75 C71 S5 103.6(13) . . ?
N5 C72 C71 109.8(14) . . ?
N5 C72 C73 111.2(14) . . ?
C71 C72 C73 114.0(16) . . ?
O10 C73 O9 124.8(18) . . ?
O10 C73 C72 116.3(16) . . ?
O9 C73 C72 118.3(16) . . ?
C79 C76 C80 109.0(16) . . ?
C79 C76 C77 111.3(16) . . ?
C80 C76 C77 112.1(16) . . ?
C79 C76 S6 109.3(13) . . ?
C80 C76 S6 106.2(13) . . ?
C77 C76 S6 108.8(13) . . ?
C78 C77 N6 110.9(15) . . ?
C78 C77 C76 113.6(16) . . ?
N6 C77 C76 109.9(15) . . ?
O12 C78 O11 122(2) . . ?
O12 C78 C77 120(2) . . ?
O11 C78 C77 117.6(19) . . ?
P6 C81 P5 115.9(10) . . ?
C83 C82 C87 119(2) . . ?
C83 C82 P5 120.0(15) . . ?
C87 C82 P5 120.8(15) . . ?
C82 C83 C84 121(2) . . ?
C85 C84 C83 121(2) . . ?
C84 C85 C86 121(2) . . ?
C85 C86 C87 119(2) . . ?
C82 C87 C86 120(2) . . ?
C93 C88 C89 118.7(17) . . ?
C93 C88 P5 123.1(15) . . ?
C89 C88 P5 118.2(14) . . ?
C90 C89 C88 117.9(18) . . ?
C89 C90 C91 124(2) . . ?
C90 C91 C92 118.5(19) . . ?
C91 C92 C93 120.0(18) . . ?
C88 C93 C92 121.2(18) . . ?
C99 C94 C95 120(2) . . ?
C99 C94 P6 120.3(16) . . ?
C95 C94 P6 119.9(17) . . ?
C94 C95 C96 122(3) . . ?
C97 C96 C95 116(3) . . ?
C96 C97 C98 123(3) . . ?
C99 C98 C97 118(3) . . ?
C94 C99 C98 121(2) . . ?
C105 C100 C101 115.3(19) . . ?
C105 C100 P6 122.9(15) . . ?
C101 C100 P6 121.7(16) . . ?
C102 C101 C100 123(2) . . ?
C103 C102 C101 120(2) . . ?
C102 C103 C104 121(2) . . ?
C103 C104 C105 120(2) . . ?
C100 C105 C104 119(2) . . ?
P7 Au7 S7 173.67(16) . . ?
P7 Au7 Au8 88.41(12) . . ?
S7 Au7 Au8 97.91(12) . . ?
P8 Au8 S8 175.70(16) . . ?
P8 Au8 Au7 93.05(12) . . ?
S8 Au8 Au7 89.54(11) . . ?
N7 Pd4 N8 92.4(6) . . ?
N7 Pd4 S7 85.8(4) . . ?
N8 Pd4 S7 176.5(4) . . ?
N7 Pd4 S8 178.2(5) . . ?
N8 Pd4 S8 86.6(4) . . ?
S7 Pd4 S8 95.10(17) . . ?
C106 S7 Pd4 101.5(6) . . ?
C106 S7 Au7 107.0(7) . . ?
Pd4 S7 Au7 101.36(18) . . ?
C111 S8 Pd4 100.2(6) . . ?
C111 S8 Au8 108.3(6) . . ?
Pd4 S8 Au8 106.49(18) . . ?
C123 P7 C117 105.9(9) . . ?
C123 P7 C116 101.8(8) . . ?
C117 P7 C116 106.8(8) . . ?
C123 P7 Au7 111.5(6) . . ?
C117 P7 Au7 115.1(6) . . ?
C116 P7 Au7 114.6(5) . . ?
C135 P8 C129 104.8(8) . . ?
C135 P8 C116 107.9(8) . . ?
C129 P8 C116 102.8(8) . . ?
C135 P8 Au8 113.8(6) . . ?
C129 P8 Au8 115.3(6) . . ?
C116 P8 Au8 111.4(5) . . ?
C107 N7 Pd4 113.9(12) . . ?
C112 N8 Pd4 112.4(10) . . ?
C109 C106 C107 109.9(16) . . ?
C109 C106 C110 112.7(16) . . ?
C107 C106 C110 110.4(17) . . ?
C109 C106 S7 112.0(13) . . ?
C107 C106 S7 104.3(12) . . ?
C110 C106 S7 107.1(13) . . ?
N7 C107 C108 110.9(17) . . ?
N7 C107 C106 110.5(16) . . ?
C108 C107 C106 111.8(15) . . ?
O14 C108 O13 125(2) . . ?
O14 C108 C107 117(2) . . ?
O13 C108 C107 117(2) . . ?
C112 C111 C114 113.9(16) . . ?
C112 C111 C115 115.4(16) . . ?
C114 C111 C115 110.1(14) . . ?
C112 C111 S8 107.0(11) . . ?
C114 C111 S8 106.7(12) . . ?
C115 C111 S8 102.6(13) . . ?
C111 C112 N8 112.1(15) . . ?
C111 C112 C113 110.5(15) . . ?
N8 C112 C113 109.0(14) . . ?
O16 C113 O15 127.8(18) . . ?
O16 C113 C112 114.9(17) . . ?
O15 C113 C112 117.1(18) . . ?
P8 C116 P7 115.7(9) . . ?
C122 C117 C118 118.6(18) . . ?
C122 C117 P7 124.7(15) . . ?
C118 C117 P7 116.7(14) . . ?
C119 C118 C117 119(2) . . ?
C120 C119 C118 120(2) . . ?
C119 C120 C121 122(2) . . ?
C120 C121 C122 118(2) . . ?
C117 C122 C121 122(2) . . ?
C128 C123 C124 119.8(19) . . ?
C128 C123 P7 119.9(15) . . ?
C124 C123 P7 120.3(15) . . ?
C125 C124 C123 115.6(19) . . ?
C126 C125 C124 122(2) . . ?
C127 C126 C125 119(2) . . ?
C128 C127 C126 122(2) . . ?
C127 C128 C123 121.5(19) . . ?
C130 C129 C134 118.9(17) . . ?
C130 C129 P8 123.0(14) . . ?
C134 C129 P8 118.1(14) . . ?
C129 C130 C131 122.0(18) . . ?
C130 C131 C132 120.4(19) . . ?
C133 C132 C131 117.5(19) . . ?
C132 C133 C134 121.2(17) . . ?
C129 C134 C133 119.9(17) . . ?
C140 C135 C136 117.5(19) . . ?
C140 C135 P8 122.0(16) . . ?
C136 C135 P8 120.5(15) . . ?
C135 C136 C137 125(2) . . ?
C138 C137 C136 114(2) . . ?
C139 C138 C137 124(2) . . ?
C138 C139 C140 120(2) . . ?
C135 C140 C139 119(2) . . ?
O59 C141 C142 112.8(19) . . ?

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
Pd1 S1 C1 C4 77.8(19) . . . . ?
Au1 S1 C1 C4 -23(2) . . . . ?
Pd1 S1 C1 C5 -156.3(17) . . . . ?
Au1 S1 C1 C5 103.1(17) . . . . ?
Pd1 S1 C1 C2 -38.6(12) . . . . ?
Au1 S1 C1 C2 -139.1(11) . . . . ?
Pd1 N1 C2 C3 -175.7(13) . . . . ?
Pd1 N1 C2 C1 -51.0(19) . . . . ?
C4 C1 C2 N1 -62(2) . . . . ?
C5 C1 C2 N1 170.4(17) . . . . ?
S1 C1 C2 N1 56.8(16) . . . . ?
C4 C1 C2 C3 61(2) . . . . ?
C5 C1 C2 C3 -66(2) . . . . ?
S1 C1 C2 C3 -179.5(14) . . . . ?
N1 C2 C3 O2 12(3) . . . . ?
C1 C2 C3 O2 -111(2) . . . . ?
N1 C2 C3 O1 -171(2) . . . . ?
C1 C2 C3 O1 67(2) . . . . ?
Pd1 S2 C6 C10 82.5(15) . . . . ?
Au2 S2 C6 C10 -174.1(13) . . . . ?
Pd1 S2 C6 C9 -154.0(14) . . . . ?
Au2 S2 C6 C9 -50.6(16) . . . . ?
Pd1 S2 C6 C7 -34.6(13) . . . . ?
Au2 S2 C6 C7 68.8(13) . . . . ?
Pd1 N2 C7 C6 -47.8(19) . . . . ?
Pd1 N2 C7 C8 -171.5(13) . . . . ?
C10 C6 C7 N2 -61(2) . . . . ?
C9 C6 C7 N2 170.2(16) . . . . ?
S2 C6 C7 N2 53.5(18) . . . . ?
C10 C6 C7 C8 63(2) . . . . ?
C9 C6 C7 C8 -66(2) . . . . ?
S2 C6 C7 C8 177.6(14) . . . . ?
N2 C7 C8 O4 -161(2) . . . . ?
C6 C7 C8 O4 76(3) . . . . ?
N2 C7 C8 O3 17(3) . . . . ?
C6 C7 C8 O3 -106(2) . . . . ?
C30 P2 C11 P1 -69.3(12) . . . . ?
C24 P2 C11 P1 -179.8(10) . . . . ?
Au2 P2 C11 P1 52.0(12) . . . . ?
C12 P1 C11 P2 82.5(11) . . . . ?
C18 P1 C11 P2 -164.3(9) . . . . ?
Au1 P1 C11 P2 -43.9(12) . . . . ?
C11 P1 C12 C13 -113.8(16) . . . . ?
C18 P1 C12 C13 132.5(15) . . . . ?
Au1 P1 C12 C13 12.0(17) . . . . ?
C11 P1 C12 C17 65.4(16) . . . . ?
C18 P1 C12 C17 -48.4(17) . . . . ?
Au1 P1 C12 C17 -168.9(13) . . . . ?
C17 C12 C13 C14 -3(3) . . . . ?
P1 C12 C13 C14 175.8(14) . . . . ?
C12 C13 C14 C15 1(3) . . . . ?
C13 C14 C15 C16 1(3) . . . . ?
C14 C15 C16 C17 -1(3) . . . . ?
C13 C12 C17 C16 4(3) . . . . ?
P1 C12 C17 C16 -175.3(15) . . . . ?
C15 C16 C17 C12 -2(3) . . . . ?
C12 P1 C18 C19 -70.2(17) . . . . ?
C11 P1 C18 C19 178.7(16) . . . . ?
Au1 P1 C18 C19 54.7(16) . . . . ?
C12 P1 C18 C23 110.1(16) . . . . ?
C11 P1 C18 C23 -1.0(18) . . . . ?
Au1 P1 C18 C23 -125.0(15) . . . . ?
C23 C18 C19 C20 3(3) . . . . ?
P1 C18 C19 C20 -176.4(19) . . . . ?
C18 C19 C20 C21 -2(4) . . . . ?
C19 C20 C21 C22 0(4) . . . . ?
C20 C21 C22 C23 0(4) . . . . ?
C21 C22 C23 C18 1(4) . . . . ?
C19 C18 C23 C22 -3(3) . . . . ?
P1 C18 C23 C22 176.7(16) . . . . ?
C30 P2 C24 C29 101.3(18) . . . . ?
C11 P2 C24 C29 -147.6(17) . . . . ?
Au2 P2 C24 C29 -22(2) . . . . ?
C30 P2 C24 C25 -81(2) . . . . ?
C11 P2 C24 C25 31(2) . . . . ?
Au2 P2 C24 C25 155.9(19) . . . . ?
C29 C24 C25 C26 -4(4) . . . . ?
P2 C24 C25 C26 177(2) . . . . ?
C24 C25 C26 C27 3(5) . . . . ?
C25 C26 C27 C28 -2(5) . . . . ?
C26 C27 C28 C29 2(4) . . . . ?
C25 C24 C29 C28 5(4) . . . . ?
P2 C24 C29 C28 -176.9(18) . . . . ?
C27 C28 C29 C24 -4(4) . . . . ?
C11 P2 C30 C35 -47.7(17) . . . . ?
C24 P2 C30 C35 63.3(17) . . . . ?
Au2 P2 C30 C35 -169.7(14) . . . . ?
C11 P2 C30 C31 132.0(14) . . . . ?
C24 P2 C30 C31 -117.0(15) . . . . ?
Au2 P2 C30 C31 10.1(16) . . . . ?
C35 C30 C31 C32 2(3) . . . . ?
P2 C30 C31 C32 -178.0(16) . . . . ?
C30 C31 C32 C33 0(3) . . . . ?
C31 C32 C33 C34 -1(3) . . . . ?
C32 C33 C34 C35 1(3) . . . . ?
C31 C30 C35 C34 -3(3) . . . . ?
P2 C30 C35 C34 177.2(14) . . . . ?
C33 C34 C35 C30 1(3) . . . . ?
Pd2 S3 C36 C39 95.3(14) . . . . ?
Au3 S3 C36 C39 -8.2(15) . . . . ?
Pd2 S3 C36 C37 -28.1(12) . . . . ?
Au3 S3 C36 C37 -131.6(11) . . . . ?
Pd2 S3 C36 C40 -143.9(12) . . . . ?
Au3 S3 C36 C40 112.6(12) . . . . ?
Pd2 N3 C37 C36 -48.7(18) . . . . ?
Pd2 N3 C37 C38 -174.5(11) . . . . ?
C39 C36 C37 N3 -75(2) . . . . ?
C40 C36 C37 N3 162.0(16) . . . . ?
S3 C36 C37 N3 49.6(17) . . . . ?
C39 C36 C37 C38 52(2) . . . . ?
C40 C36 C37 C38 -71(2) . . . . ?
S3 C36 C37 C38 176.6(12) . . . . ?
N3 C37 C38 O5 -151.6(16) . . . . ?
C36 C37 C38 O5 81(2) . . . . ?
N3 C37 C38 O6 30(2) . . . . ?
C36 C37 C38 O6 -97.9(19) . . . . ?
Pd2 S4 C41 C42 -27.4(12) . . . . ?
Au4 S4 C41 C42 80.2(11) . . . . ?
Pd2 S4 C41 C45 93.8(11) . . . . ?
Au4 S4 C41 C45 -158.6(10) . . . . ?
Pd2 S4 C41 C44 -145.8(10) . . . . ?
Au4 S4 C41 C44 -38.2(12) . . . . ?
Pd2 N4 C42 C41 -51.4(16) . . . . ?
Pd2 N4 C42 C43 -172.8(11) . . . . ?
C45 C41 C42 N4 -67.4(18) . . . . ?
C44 C41 C42 N4 165.9(13) . . . . ?
S4 C41 C42 N4 48.7(15) . . . . ?
C45 C41 C42 C43 53.0(19) . . . . ?
C44 C41 C42 C43 -73.7(16) . . . . ?
S4 C41 C42 C43 169.2(11) . . . . ?
N4 C42 C43 O8 -154.8(16) . . . . ?
C41 C42 C43 O8 85(2) . . . . ?
N4 C42 C43 O7 27(2) . . . . ?
C41 C42 C43 O7 -93.1(19) . . . . ?
C47 P3 C46 P4 64.9(11) . . . . ?
C53 P3 C46 P4 176.6(10) . . . . ?
Au3 P3 C46 P4 -57.2(11) . . . . ?
C59 P4 C46 P3 171.8(9) . . . . ?
C65 P4 C46 P3 -78.2(11) . . . . ?
Au4 P4 C46 P3 47.3(11) . . . . ?
C46 P3 C47 C48 -128.2(15) . . . . ?
C53 P3 C47 C48 122.7(15) . . . . ?
Au3 P3 C47 C48 -2.6(16) . . . . ?
C46 P3 C47 C52 49.0(16) . . . . ?
C53 P3 C47 C52 -60.2(16) . . . . ?
Au3 P3 C47 C52 174.5(13) . . . . ?
C52 C47 C48 C49 2(3) . . . . ?
P3 C47 C48 C49 178.8(14) . . . . ?
C47 C48 C49 C50 -1(3) . . . . ?
C48 C49 C50 C51 1(3) . . . . ?
C49 C50 C51 C52 -2(3) . . . . ?
C50 C51 C52 C47 3(3) . . . . ?
C48 C47 C52 C51 -2(3) . . . . ?
P3 C47 C52 C51 -179.6(16) . . . . ?
C46 P3 C53 C58 -35(2) . . . . ?
C47 P3 C53 C58 78(2) . . . . ?
Au3 P3 C53 C58 -160.6(17) . . . . ?
C46 P3 C53 C54 154.7(16) . . . . ?
C47 P3 C53 C54 -92.6(17) . . . . ?
Au3 P3 C53 C54 28.9(19) . . . . ?
C58 C53 C54 C55 8(3) . . . . ?
P3 C53 C54 C55 178.3(15) . . . . ?
C53 C54 C55 C56 -8(3) . . . . ?
C54 C55 C56 C57 6(3) . . . . ?
C55 C56 C57 C58 -5(4) . . . . ?
C54 C53 C58 C57 -6(4) . . . . ?
P3 C53 C58 C57 -176(2) . . . . ?
C56 C57 C58 C53 4(4) . . . . ?
C65 P4 C59 C60 -120.1(16) . . . . ?
C46 P4 C59 C60 -8.7(18) . . . . ?
Au4 P4 C59 C60 112.5(15) . . . . ?
C65 P4 C59 C64 62.3(16) . . . . ?
C46 P4 C59 C64 173.7(14) . . . . ?
Au4 P4 C59 C64 -65.1(15) . . . . ?
C64 C59 C60 C61 -3(3) . . . . ?
P4 C59 C60 C61 179.6(15) . . . . ?
C59 C60 C61 C62 3(3) . . . . ?
C60 C61 C62 C63 -3(4) . . . . ?
C61 C62 C63 C64 3(3) . . . . ?
C62 C63 C64 C59 -3(3) . . . . ?
C60 C59 C64 C63 3(3) . . . . ?
P4 C59 C64 C63 -179.2(15) . . . . ?
C59 P4 C65 C70 44.8(17) . . . . ?
C46 P4 C65 C70 -66.3(17) . . . . ?
Au4 P4 C65 C70 171.8(13) . . . . ?
C59 P4 C65 C66 -138.5(14) . . . . ?
C46 P4 C65 C66 110.4(14) . . . . ?
Au4 P4 C65 C66 -11.5(16) . . . . ?
C70 C65 C66 C67 -5(3) . . . . ?
P4 C65 C66 C67 178.3(14) . . . . ?
C65 C66 C67 C68 3(3) . . . . ?
C66 C67 C68 C69 1(3) . . . . ?
C67 C68 C69 C70 -2(3) . . . . ?
C66 C65 C70 C69 4(3) . . . . ?
P4 C65 C70 C69 -179.7(15) . . . . ?
C68 C69 C70 C65 0(3) . . . . ?
Pd3 S5 C71 C72 -29.6(13) . . . . ?
Au5 S5 C71 C72 -131.6(12) . . . . ?
Pd3 S5 C71 C74 91.8(13) . . . . ?
Au5 S5 C71 C74 -10.2(14) . . . . ?
Pd3 S5 C71 C75 -147.1(13) . . . . ?
Au5 S5 C71 C75 110.9(13) . . . . ?
Pd3 N5 C72 C71 -50.1(18) . . . . ?
Pd3 N5 C72 C73 -177.1(13) . . . . ?
C74 C71 C72 N5 -72.2(19) . . . . ?
C75 C71 C72 N5 163.1(16) . . . . ?
S5 C71 C72 N5 50.5(17) . . . . ?
C74 C71 C72 C73 53(2) . . . . ?
C75 C71 C72 C73 -71(2) . . . . ?
S5 C71 C72 C73 176.1(13) . . . . ?
N5 C72 C73 O10 6(3) . . . . ?
C71 C72 C73 O10 -119(3) . . . . ?
N5 C72 C73 O9 178(2) . . . . ?
C71 C72 C73 O9 53(3) . . . . ?
Pd3 S6 C76 C79 -153.0(13) . . . . ?
Au6 S6 C76 C79 -48.9(16) . . . . ?
Pd3 S6 C76 C80 89.6(13) . . . . ?
Au6 S6 C76 C80 -166.3(12) . . . . ?
Pd3 S6 C76 C77 -31.3(12) . . . . ?
Au6 S6 C76 C77 72.8(12) . . . . ?
Pd3 N6 C77 C78 -170.8(12) . . . . ?
Pd3 N6 C77 C76 -44.4(17) . . . . ?
C79 C76 C77 C78 -66(2) . . . . ?
C80 C76 C77 C78 57(2) . . . . ?
S6 C76 C77 C78 174.0(14) . . . . ?
C79 C76 C77 N6 169.7(14) . . . . ?
C80 C76 C77 N6 -68.0(18) . . . . ?
S6 C76 C77 N6 49.2(16) . . . . ?
N6 C77 C78 O12 -165.5(18) . . . . ?
C76 C77 C78 O12 70(2) . . . . ?
N6 C77 C78 O11 15(3) . . . . ?
C76 C77 C78 O11 -110(2) . . . . ?
C100 P6 C81 P5 -83.6(11) . . . . ?
C94 P6 C81 P5 164.1(10) . . . . ?
Au6 P6 C81 P5 43.6(11) . . . . ?
C88 P5 C81 P6 -169.1(10) . . . . ?
C82 P5 C81 P6 77.4(11) . . . . ?
Au5 P5 C81 P6 -46.6(11) . . . . ?
C88 P5 C82 C83 135.0(18) . . . . ?
C81 P5 C82 C83 -114.5(18) . . . . ?
Au5 P5 C82 C83 10(2) . . . . ?
C88 P5 C82 C87 -45(2) . . . . ?
C81 P5 C82 C87 65.5(19) . . . . ?
Au5 P5 C82 C87 -169.7(15) . . . . ?
C87 C82 C83 C84 0(4) . . . . ?
P5 C82 C83 C84 -180(2) . . . . ?
C82 C83 C84 C85 0(4) . . . . ?
C83 C84 C85 C86 3(4) . . . . ?
C84 C85 C86 C87 -5(4) . . . . ?
C83 C82 C87 C86 -3(3) . . . . ?
P5 C82 C87 C86 177.3(18) . . . . ?
C85 C86 C87 C82 5(4) . . . . ?
C82 P5 C88 C93 77.1(18) . . . . ?
C81 P5 C88 C93 -35.9(18) . . . . ?
Au5 P5 C88 C93 -158.7(14) . . . . ?
C82 P5 C88 C89 -105.1(15) . . . . ?
C81 P5 C88 C89 142.0(14) . . . . ?
Au5 P5 C88 C89 19.2(16) . . . . ?
C93 C88 C89 C90 2(3) . . . . ?
P5 C88 C89 C90 -176.4(14) . . . . ?
C88 C89 C90 C91 -1(3) . . . . ?
C89 C90 C91 C92 1(3) . . . . ?
C90 C91 C92 C93 0(3) . . . . ?
C89 C88 C93 C92 -1(3) . . . . ?
P5 C88 C93 C92 176.7(15) . . . . ?
C91 C92 C93 C88 0(3) . . . . ?
C100 P6 C94 C99 154.5(16) . . . . ?
C81 P6 C94 C99 -92.0(17) . . . . ?
Au6 P6 C94 C99 28.6(18) . . . . ?
C100 P6 C94 C95 -30.7(19) . . . . ?
C81 P6 C94 C95 82.8(17) . . . . ?
Au6 P6 C94 C95 -156.7(15) . . . . ?
C99 C94 C95 C96 -2(3) . . . . ?
P6 C94 C95 C96 -176.4(17) . . . . ?
C94 C95 C96 C97 1(4) . . . . ?
C95 C96 C97 C98 0(4) . . . . ?
C96 C97 C98 C99 1(4) . . . . ?
C95 C94 C99 C98 2(3) . . . . ?
P6 C94 C99 C98 176.7(17) . . . . ?
C97 C98 C99 C94 -2(3) . . . . ?
C81 P6 C100 C105 -24.5(18) . . . . ?
C94 P6 C100 C105 84.2(17) . . . . ?
Au6 P6 C100 C105 -150.8(14) . . . . ?
C81 P6 C100 C101 159.4(16) . . . . ?
C94 P6 C100 C101 -91.8(18) . . . . ?
Au6 P6 C100 C101 33.1(18) . . . . ?
C105 C100 C101 C102 1(3) . . . . ?
P6 C100 C101 C102 177.5(17) . . . . ?
C100 C101 C102 C103 -1(4) . . . . ?
C101 C102 C103 C104 1(4) . . . . ?
C102 C103 C104 C105 -1(4) . . . . ?
C101 C100 C105 C104 -1(3) . . . . ?
P6 C100 C105 C104 -177.8(16) . . . . ?
C103 C104 C105 C100 1(3) . . . . ?
Pd4 S7 C106 C109 87.8(13) . . . . ?
Au7 S7 C106 C109 -18.0(15) . . . . ?
Pd4 S7 C106 C107 -31.0(14) . . . . ?
Au7 S7 C106 C107 -136.8(12) . . . . ?
Pd4 S7 C106 C110 -148.1(12) . . . . ?
Au7 S7 C106 C110 106.1(13) . . . . ?
Pd4 N7 C107 C108 -175.0(12) . . . . ?
Pd4 N7 C107 C106 -50.5(17) . . . . ?
C109 C106 C107 N7 -68.0(19) . . . . ?
C110 C106 C107 N7 167.0(15) . . . . ?
S7 C106 C107 N7 52.2(18) . . . . ?
C109 C106 C107 C108 56(2) . . . . ?
C110 C106 C107 C108 -69(2) . . . . ?
S7 C106 C107 C108 176.3(15) . . . . ?
N7 C107 C108 O14 39(3) . . . . ?
C106 C107 C108 O14 -85(3) . . . . ?
N7 C107 C108 O13 -149.8(18) . . . . ?
C106 C107 C108 O13 86(2) . . . . ?
C114 C111 C112 N8 166.7(14) . . . . ?
C115 C111 C112 N8 -65(2) . . . . ?
S8 C111 C112 N8 49.0(17) . . . . ?
C114 C111 C112 C113 -71(2) . . . . ?
C115 C111 C112 C113 57(2) . . . . ?
S8 C111 C112 C113 170.8(13) . . . . ?
Pd4 N8 C112 C111 -50.6(17) . . . . ?
Pd4 N8 C112 C113 -173.2(12) . . . . ?
C111 C112 C113 O16 83(2) . . . . ?
N8 C112 C113 O16 -153.7(18) . . . . ?
C111 C112 C113 O15 -92(2) . . . . ?
N8 C112 C113 O15 31(2) . . . . ?
C135 P8 C116 P7 -81.5(10) . . . . ?
C129 P8 C116 P7 168.1(9) . . . . ?
Au8 P8 C116 P7 44.1(10) . . . . ?
C123 P7 C116 P8 -167.5(10) . . . . ?
C117 P7 C116 P8 81.7(10) . . . . ?
Au7 P7 C116 P8 -47.0(10) . . . . ?
C123 P7 C117 C122 -83.6(18) . . . . ?
C116 P7 C117 C122 24.3(19) . . . . ?
Au7 P7 C117 C122 152.7(15) . . . . ?
C123 P7 C117 C118 95.6(15) . . . . ?
C116 P7 C117 C118 -156.5(14) . . . . ?
Au7 P7 C117 C118 -28.1(16) . . . . ?
C122 C117 C118 C119 0(3) . . . . ?
P7 C117 C118 C119 -179.0(15) . . . . ?
C117 C118 C119 C120 1(3) . . . . ?
C118 C119 C120 C121 0(4) . . . . ?
C119 C120 C121 C122 -3(3) . . . . ?
C118 C117 C122 C121 -3(3) . . . . ?
P7 C117 C122 C121 176.5(16) . . . . ?
C120 C121 C122 C117 4(3) . . . . ?
C117 P7 C123 C128 -159.7(15) . . . . ?
C116 P7 C123 C128 88.8(16) . . . . ?
Au7 P7 C123 C128 -33.8(17) . . . . ?
C117 P7 C123 C124 20.3(17) . . . . ?
C116 P7 C123 C124 -91.2(16) . . . . ?
Au7 P7 C123 C124 146.1(13) . . . . ?
C128 C123 C124 C125 -5(3) . . . . ?
P7 C123 C124 C125 175.5(14) . . . . ?
C123 C124 C125 C126 2(3) . . . . ?
C124 C125 C126 C127 -1(3) . . . . ?
C125 C126 C127 C128 3(3) . . . . ?
C126 C127 C128 C123 -5(3) . . . . ?
C124 C123 C128 C127 6(3) . . . . ?
P7 C123 C128 C127 -173.7(16) . . . . ?
C135 P8 C129 C130 -93.4(17) . . . . ?
C116 P8 C129 C130 19.3(17) . . . . ?
Au8 P8 C129 C130 140.7(14) . . . . ?
C135 P8 C129 C134 85.9(16) . . . . ?
C116 P8 C129 C134 -161.4(15) . . . . ?
Au8 P8 C129 C134 -40.0(17) . . . . ?
C134 C129 C130 C131 -1(3) . . . . ?
P8 C129 C130 C131 178.4(14) . . . . ?
C129 C130 C131 C132 3(3) . . . . ?
C130 C131 C132 C133 -4(3) . . . . ?
C131 C132 C133 C134 2(3) . . . . ?
C130 C129 C134 C133 -1(3) . . . . ?
P8 C129 C134 C133 179.8(14) . . . . ?
C132 C133 C134 C129 0(3) . . . . ?
C129 P8 C135 C140 49.8(19) . . . . ?
C116 P8 C135 C140 -59.3(19) . . . . ?
Au8 P8 C135 C140 176.6(15) . . . . ?
C129 P8 C135 C136 -127.0(17) . . . . ?
C116 P8 C135 C136 123.9(17) . . . . ?
Au8 P8 C135 C136 -0.2(19) . . . . ?
C140 C135 C136 C137 0(3) . . . . ?
P8 C135 C136 C137 177.3(19) . . . . ?
C135 C136 C137 C138 3(4) . . . . ?
C136 C137 C138 C139 -4(4) . . . . ?
C137 C138 C139 C140 2(4) . . . . ?
C136 C135 C140 C139 -3(3) . . . . ?
P8 C135 C140 C139 -179.8(15) . . . . ?
C138 C139 C140 C135 2(3) . . . . ?

_refine_diff_density_max         2.254
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.177

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[3](NO3)4
_database_code_depnum_ccdc_archive 'CCDC 1887517'
loop_
_audit_author_name
_audit_author_address
'Nobuto Yoshinari'
;Osaka University
Japan
;
_audit_update_record             
;
2019-02-14 deposited with the CCDC.	2019-02-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT974_[3](NO3)4           
;
PROBLEM: Check Calcd Negative Resid. Density on       Cu1      -2.52 eA-3
RESPONSE: This is due to the satellite peaks nearby Cu atoms (d = 0.4-0.7 A).
;
# Added during the CSD deposition process: Thursday 14 February 2019 04:23 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C70 H84 Au4 Cu2 N4 O10 P4 Pd2 S4, 4(N O3), 3(H2 O)'
_chemical_formula_sum            'C70 H90 Au4 Cu2 N8 O25 P4 Pd2 S4'
_chemical_formula_weight         2823.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0021 0.0012 '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'
N N 0.0044 0.0025 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0080 0.0047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0833 0.0744 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1022 0.0976 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3383 1.0251 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -1.3184 0.8137 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -1.0631 7.2782 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'I 2'
_space_group_name_Hall           'I 2y'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'

_cell_length_a                   20.842(4)
_cell_length_b                   17.342(4)
_cell_length_c                   25.184(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.43(2)
_cell_angle_gamma                90
_cell_volume                     9045(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    108842

_cell_measurement_theta_min      1.443
_cell_measurement_theta_max      29.886

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.073
_exptl_crystal_F_000             5424
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.046
_exptl_crystal_size_mid          0.044
_exptl_crystal_size_min          0.026
_exptl_absorpt_coefficient_mu    5.490
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical

_exptl_absorpt_correction_T_min  0.910

_exptl_absorpt_correction_T_max  1.000

_exptl_absorpt_process_details   'HKL3000sm Scalepack'

_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.630
_diffrn_radiation_type           synchrotron
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_measurement_device_type  'ADSC Quantum210'

_diffrn_measurement_method       'ω scans'

_diffrn_detector_area_resol_mean 210mm

_diffrn_reflns_number            64252
_diffrn_reflns_av_unetI/netI     0.1799
_diffrn_reflns_av_R_equivalents  0.0928
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         1.443
_diffrn_reflns_theta_max         29.886
_diffrn_reflns_theta_full        22.210
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             35656
_reflns_number_gt                17256
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.896
_reflns_Friedel_fraction_max     0.924
_reflns_Friedel_fraction_full    0.977

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Mercury
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0523P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 5562 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(5)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         35656
_refine_ls_number_parameters     989
_refine_ls_number_restraints     73
_refine_ls_R_factor_all          0.1409
_refine_ls_R_factor_gt           0.0625
_refine_ls_wR_factor_ref         0.1536
_refine_ls_wR_factor_gt          0.1347
_refine_ls_goodness_of_fit_ref   0.871
_refine_ls_restrained_S_all      0.873
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.04390(3) 0.78773(4) 0.23911(2) 0.03514(15) Uani 1 1 d . . . . .
Au2 Au -0.09804(3) 0.76233(4) 0.24185(2) 0.03877(17) Uani 1 1 d . . . . .
Pd1 Pd -0.00604(5) 0.78756(9) 0.36313(4) 0.0343(3) Uani 1 1 d . . . . .
S1 S 0.07313(18) 0.8463(3) 0.32164(15) 0.0336(9) Uani 1 1 d . . . . .
S2 S -0.09393(19) 0.8423(3) 0.31593(16) 0.0391(10) Uani 1 1 d . . . . .
P1 P 0.03510(19) 0.7197(3) 0.16162(17) 0.0356(10) Uani 1 1 d . . . . .
P2 P -0.1081(2) 0.6959(3) 0.16347(19) 0.0414(11) Uani 1 1 d . . . . .
O1 O 0.1736(7) 0.6590(10) 0.4458(6) 0.059(4) Uani 1 1 d . . . . .
O2 O 0.2314(6) 0.7668(8) 0.4676(4) 0.048(3) Uani 1 1 d . . . . .
O3 O -0.1576(8) 0.6384(10) 0.4467(7) 0.073(5) Uani 1 1 d . . . . .
O4 O -0.2337(6) 0.7269(9) 0.4276(5) 0.052(3) Uani 1 1 d . . . . .
N1 N 0.0688(6) 0.7411(10) 0.4134(5) 0.044(4) Uani 1 1 d . . . . .
H1 H 0.0596 0.7450 0.4470 0.053 Uiso 1 1 calc R U . . .
H2 H 0.0725 0.6913 0.4059 0.053 Uiso 1 1 calc R U . . .
N2 N -0.0717(7) 0.7295(10) 0.4020(6) 0.052(4) Uani 1 1 d . . . . .
H3 H -0.0584 0.6808 0.4058 0.063 Uiso 1 1 calc R U . . .
H4 H -0.0706 0.7494 0.4347 0.063 Uiso 1 1 calc R U . . .
C1 C 0.1435(7) 0.7869(13) 0.3497(6) 0.049(5) Uani 1 1 d . . . . .
C2 C 0.1306(7) 0.7796(9) 0.4086(6) 0.038(4) Uani 1 1 d . . . . .
H5 H 0.1297 0.8313 0.4243 0.045 Uiso 1 1 calc R U . . .
C3 C 0.1837(9) 0.7284(13) 0.4439(7) 0.049(5) Uani 1 1 d . . . . .
C4 C 0.1458(9) 0.7054(10) 0.3250(8) 0.049(5) Uani 1 1 d . . . . .
H6 H 0.1659 0.7080 0.2926 0.074 Uiso 1 1 calc R U . . .
H7 H 0.1027 0.6858 0.3174 0.074 Uiso 1 1 calc R U . . .
H8 H 0.1703 0.6717 0.3499 0.074 Uiso 1 1 calc R U . . .
C5 C 0.2022(9) 0.8293(13) 0.3437(7) 0.054(5) Uani 1 1 d . . . . .
H9 H 0.2388 0.8002 0.3591 0.081 Uiso 1 1 calc R U . . .
H10 H 0.2011 0.8780 0.3615 0.081 Uiso 1 1 calc R U . . .
H11 H 0.2055 0.8376 0.3064 0.081 Uiso 1 1 calc R U . . .
C6 C -0.1579(8) 0.8113(13) 0.3596(8) 0.055(5) Uani 1 1 d . . . . .
C7 C -0.1403(7) 0.7283(11) 0.3781(6) 0.040(4) Uani 1 1 d . . . . .
H12 H -0.1448 0.6936 0.3472 0.048 Uiso 1 1 calc R U . . .
C8 C -0.1802(9) 0.6935(15) 0.4246(8) 0.056(6) Uani 1 1 d . . . . .
C9 C -0.2217(8) 0.8106(17) 0.3239(10) 0.080(8) Uani 1 1 d . . . . .
H13 H -0.2247 0.7645 0.3028 0.119 Uiso 1 1 calc R U . . .
H14 H -0.2240 0.8548 0.3008 0.119 Uiso 1 1 calc R U . . .
H15 H -0.2567 0.8122 0.3457 0.119 Uiso 1 1 calc R U . . .
C10 C -0.1525(11) 0.8697(13) 0.4035(9) 0.067(6) Uani 1 1 d . . . . .
H16 H -0.1529 0.9205 0.3885 0.101 Uiso 1 1 calc R U . . .
H17 H -0.1129 0.8618 0.4262 0.101 Uiso 1 1 calc R U . . .
H18 H -0.1883 0.8641 0.4241 0.101 Uiso 1 1 calc R U . . .
C11 C -0.0435(8) 0.7226(12) 0.1229(7) 0.041(4) Uani 1 1 d . . . . .
H19 H -0.0439 0.6875 0.0929 0.049 Uiso 1 1 calc R U . . .
H20 H -0.0514 0.7742 0.1088 0.049 Uiso 1 1 calc R U . . .
C12 C 0.0541(7) 0.6189(10) 0.1737(6) 0.032(3) Uani 1 1 d . . . . .
C13 C 0.0470(9) 0.5872(12) 0.2227(8) 0.049(5) Uani 1 1 d . . . . .
H21 H 0.0362 0.6174 0.2509 0.058 Uiso 1 1 calc R U . . .
C14 C 0.0568(11) 0.5080(15) 0.2286(8) 0.062(6) Uani 1 1 d . . . . .
H22 H 0.0518 0.4853 0.2613 0.075 Uiso 1 1 calc R U . . .
C15 C 0.0720(12) 0.4660(17) 0.1912(11) 0.081(8) Uani 1 1 d . . . . .
H23 H 0.0777 0.4136 0.1977 0.097 Uiso 1 1 calc R U . . .
C16 C 0.0808(11) 0.4937(13) 0.1409(10) 0.069(6) Uani 1 1 d . . . . .
H24 H 0.0939 0.4614 0.1147 0.083 Uiso 1 1 calc R U . . .
C17 C 0.0687(8) 0.5752(12) 0.1309(8) 0.045(4) Uani 1 1 d . . . . .
H25 H 0.0708 0.5968 0.0974 0.054 Uiso 1 1 calc R U . . .
C18 C 0.0928(6) 0.7561(10) 0.1184(6) 0.032(3) Uani 1 1 d . . . . .
C19 C 0.1538(9) 0.7656(16) 0.1410(8) 0.070(7) Uani 1 1 d . . . . .
H26 H 0.1648 0.7499 0.1762 0.084 Uiso 1 1 calc R U . . .
C20 C 0.2015(8) 0.7991(15) 0.1128(9) 0.069(7) Uani 1 1 d . . . . .
H27 H 0.2440 0.8053 0.1278 0.083 Uiso 1 1 calc R U . . .
C21 C 0.1804(12) 0.8219(13) 0.0611(9) 0.072(7) Uani 1 1 d . . . . .
H28 H 0.2082 0.8498 0.0420 0.086 Uiso 1 1 calc R U . . .
C22 C 0.1179(13) 0.804(3) 0.0367(11) 0.16(2) Uani 1 1 d . . . . .
H29 H 0.1078 0.8079 -0.0001 0.187 Uiso 1 1 calc R U . . .
C23 C 0.0726(12) 0.7804(15) 0.0685(9) 0.087(8) Uani 1 1 d . . . . .
H30 H 0.0288 0.7813 0.0560 0.105 Uiso 1 1 calc R U . . .
C24 C -0.1829(9) 0.7223(12) 0.1205(8) 0.049(5) Uani 1 1 d . . . . .
C25 C -0.1915(10) 0.7108(14) 0.0672(8) 0.062(6) Uani 1 1 d . . . . .
H31 H -0.1585 0.6893 0.0501 0.074 Uiso 1 1 calc R U . . .
C26 C -0.2504(9) 0.7314(14) 0.0374(10) 0.065(6) Uani 1 1 d . . . . .
H32 H -0.2573 0.7266 0.0005 0.078 Uiso 1 1 calc R U . . .
C27 C -0.2961(9) 0.7585(18) 0.0666(10) 0.076(7) Uani 1 1 d . . . . .
H33 H -0.3363 0.7680 0.0478 0.091 Uiso 1 1 calc R U . . .
C28 C -0.2913(9) 0.7728(13) 0.1163(9) 0.059(5) Uani 1 1 d . . . . .
H34 H -0.3252 0.7957 0.1316 0.071 Uiso 1 1 calc R U . . .
C29 C -0.2332(8) 0.7532(13) 0.1479(9) 0.056(5) Uani 1 1 d . . . . .
H35 H -0.2282 0.7602 0.1847 0.067 Uiso 1 1 calc R U . . .
C30 C -0.1114(9) 0.5916(11) 0.1686(7) 0.040(4) Uani 1 1 d . . . . .
C31 C -0.1040(8) 0.5447(14) 0.1252(10) 0.060(6) Uani 1 1 d . . . . .
H36 H -0.0933 0.5661 0.0935 0.072 Uiso 1 1 calc R U . . .
C32 C -0.1124(11) 0.4667(14) 0.1293(11) 0.066(6) Uani 1 1 d . . . . .
H37 H -0.1064 0.4359 0.1000 0.079 Uiso 1 1 calc R U . . .
C33 C -0.1293(14) 0.4316(18) 0.1749(18) 0.115(14) Uani 1 1 d . . . . .
H38 H -0.1369 0.3789 0.1760 0.137 Uiso 1 1 calc R U . . .
C34 C -0.1343(14) 0.4766(16) 0.2174(15) 0.103(11) Uani 1 1 d . . . . .
H39 H -0.1430 0.4536 0.2493 0.124 Uiso 1 1 calc R U . . .
C35 C -0.1266(11) 0.5624(13) 0.2158(9) 0.062(6) Uani 1 1 d . . . . .
H40 H -0.1317 0.5936 0.2451 0.075 Uiso 1 1 calc R U . . .
Au3 Au -0.38620(3) 0.53908(4) 0.77265(2) 0.03525(15) Uani 1 1 d . . . . .
Au4 Au -0.53084(3) 0.51119(4) 0.76191(3) 0.03999(17) Uani 1 1 d . . . . .
Pd2 Pd -0.47401(5) 0.51768(9) 0.64297(5) 0.0370(3) Uani 1 1 d . . . . .
S3 S -0.37842(17) 0.4806(3) 0.68992(15) 0.0350(9) Uani 1 1 d . . . . .
S4 S -0.54268(18) 0.4400(3) 0.68377(17) 0.0368(9) Uani 1 1 d . . . . .
P3 P -0.3832(2) 0.5948(3) 0.85510(18) 0.0381(10) Uani 1 1 d . . . . .
P4 P -0.5289(2) 0.5860(3) 0.83597(19) 0.0415(11) Uani 1 1 d . . . . .
O5 O -0.2687(7) 0.5461(8) 0.5425(5) 0.056(4) Uani 1 1 d . . . . .
O6 O -0.3260(6) 0.6526(10) 0.5460(5) 0.056(4) Uani 1 1 d . . . . .
O7 O -0.7196(9) 0.5569(11) 0.5738(8) 0.093(5) Uani 1 1 d . U . . .
O8 O -0.6560(8) 0.6394(12) 0.5623(7) 0.077(5) Uani 1 1 d . U . . .
O9 O -0.1357(16) 0.5091(13) 0.5276(11) 0.184(13) Uani 1 1 d D U . . .
N3 N -0.4171(7) 0.5807(11) 0.5952(5) 0.069(6) Uani 1 1 d D U . . .
H41 H -0.4360 0.5828 0.5617 0.083 Uiso 1 1 calc R U . . .
H42 H -0.4118 0.6287 0.6075 0.083 Uiso 1 1 calc R U . . .
N4 N -0.5552(7) 0.5611(10) 0.6016(8) 0.065(5) Uani 1 1 d . U . . .
H43 H -0.5486 0.6108 0.5955 0.078 Uiso 1 1 calc R U . . .
H44 H -0.5611 0.5375 0.5700 0.078 Uiso 1 1 calc R U . . .
C36 C -0.3216(8) 0.5452(12) 0.6554(7) 0.047(5) Uani 1 1 d . . . . .
C37 C -0.3544(9) 0.5418(11) 0.5968(6) 0.050(5) Uani 1 1 d D . . . .
H45 H -0.3602 0.4881 0.5851 0.059 Uiso 1 1 calc R U . . .
C38 C -0.3121(10) 0.5868(14) 0.5590(8) 0.060(7) Uani 1 1 d . . . . .
C39 C -0.3171(8) 0.6234(11) 0.6799(6) 0.044(4) Uani 1 1 d . . . . .
H46 H -0.2916 0.6209 0.7141 0.066 Uiso 1 1 calc R U . . .
H47 H -0.3597 0.6416 0.6845 0.066 Uiso 1 1 calc R U . . .
H48 H -0.2972 0.6581 0.6570 0.066 Uiso 1 1 calc R U . . .
C40 C -0.2561(8) 0.5083(14) 0.6628(8) 0.056(5) Uani 1 1 d . . . . .
H49 H -0.2258 0.5402 0.6468 0.084 Uiso 1 1 calc R U . . .
H50 H -0.2582 0.4585 0.6461 0.084 Uiso 1 1 calc R U . . .
H51 H -0.2422 0.5027 0.7003 0.084 Uiso 1 1 calc R U . . .
C41 C -0.6213(8) 0.4725(11) 0.6491(9) 0.051(4) Uani 1 1 d . U . . .
C42 C -0.6154(8) 0.5539(12) 0.6272(12) 0.070(5) Uani 1 1 d . U . . .
H52 H -0.6108 0.5884 0.6582 0.083 Uiso 1 1 calc R U . . .
C43 C -0.6687(11) 0.5908(15) 0.5855(14) 0.081(6) Uani 1 1 d . U . . .
C44 C -0.6754(9) 0.4570(15) 0.6841(10) 0.072(6) Uani 1 1 d . U . . .
H53 H -0.6801 0.5007 0.7068 0.108 Uiso 1 1 calc R U . . .
H54 H -0.6650 0.4122 0.7057 0.108 Uiso 1 1 calc R U . . .
H55 H -0.7152 0.4484 0.6617 0.108 Uiso 1 1 calc R U . . .
C45 C -0.6337(9) 0.4160(11) 0.5998(8) 0.050(4) Uani 1 1 d . U . . .
H56 H -0.6658 0.4377 0.5738 0.076 Uiso 1 1 calc R U . . .
H57 H -0.6485 0.3672 0.6116 0.076 Uiso 1 1 calc R U . . .
H58 H -0.5942 0.4088 0.5840 0.076 Uiso 1 1 calc R U . . .
C46 C -0.4603(8) 0.5743(14) 0.8844(7) 0.050(5) Uani 1 1 d . . . . .
H59 H -0.4594 0.5220 0.8980 0.060 Uiso 1 1 calc R U . . .
H60 H -0.4640 0.6090 0.9141 0.060 Uiso 1 1 calc R U . . .
C47 C -0.3770(8) 0.6994(11) 0.8565(7) 0.040(4) Uani 1 1 d . . . . .
C48 C -0.3712(9) 0.7407(13) 0.8111(7) 0.050(5) Uani 1 1 d . . . . .
H61 H -0.3706 0.7155 0.7785 0.059 Uiso 1 1 calc R U . . .
C49 C -0.3660(10) 0.8223(16) 0.8138(10) 0.066(7) Uani 1 1 d . . . . .
H62 H -0.3603 0.8505 0.7833 0.079 Uiso 1 1 calc R U . . .
C50 C -0.3694(8) 0.8600(14) 0.8621(11) 0.063(7) Uani 1 1 d . . . . .
H63 H -0.3688 0.9136 0.8638 0.075 Uiso 1 1 calc R U . . .
C51 C -0.3736(8) 0.8173(12) 0.9068(8) 0.047(5) Uani 1 1 d . . . . .
H64 H -0.3746 0.8425 0.9393 0.057 Uiso 1 1 calc R U . . .
C52 C -0.3764(8) 0.7359(13) 0.9059(8) 0.049(5) Uani 1 1 d . . . . .
H65 H -0.3778 0.7076 0.9371 0.059 Uiso 1 1 calc R U . . .
C53 C -0.3172(10) 0.5599(12) 0.9007(7) 0.050(5) Uani 1 1 d . . . . .
C54 C -0.2615(8) 0.6042(13) 0.9118(8) 0.053(5) Uani 1 1 d . . . . .
H66 H -0.2608 0.6537 0.8976 0.063 Uiso 1 1 calc R U . . .
C55 C -0.2071(12) 0.5776(16) 0.9432(8) 0.065(7) Uani 1 1 d . . . . .
H67 H -0.1695 0.6068 0.9483 0.078 Uiso 1 1 calc R U . . .
C56 C -0.2106(14) 0.509(2) 0.9657(10) 0.097(11) Uani 1 1 d . . . . .
H68 H -0.1746 0.4908 0.9871 0.117 Uiso 1 1 calc R U . . .
C57 C -0.2658(15) 0.4635(15) 0.9588(12) 0.092(9) Uani 1 1 d . . . . .
H69 H -0.2676 0.4157 0.9753 0.111 Uiso 1 1 calc R U . . .
C58 C -0.3163(15) 0.4918(14) 0.9270(11) 0.086(8) Uani 1 1 d . . . . .
H70 H -0.3537 0.4622 0.9227 0.103 Uiso 1 1 calc R U . . .
C59 C -0.6004(10) 0.5709(11) 0.8693(9) 0.054(6) Uani 1 1 d . . . . .
C60 C -0.6002(10) 0.5741(14) 0.9254(10) 0.069(7) Uani 1 1 d . . . . .
H71 H -0.5611 0.5823 0.9464 0.083 Uiso 1 1 calc R U . . .
C61 C -0.6531(14) 0.5659(18) 0.9495(9) 0.100(12) Uani 1 1 d . . . . .
H72 H -0.6506 0.5655 0.9866 0.120 Uiso 1 1 calc R U . . .
C62 C -0.7087(12) 0.5583(14) 0.9208(11) 0.079(8) Uani 1 1 d . . . . .
H73 H -0.7456 0.5517 0.9379 0.095 Uiso 1 1 calc R U . . .
C63 C -0.7142(10) 0.5600(13) 0.8658(9) 0.061(6) Uani 1 1 d . . . . .
H74 H -0.7545 0.5553 0.8460 0.073 Uiso 1 1 calc R U . . .
C64 C -0.6568(9) 0.5690(12) 0.8392(8) 0.052(5) Uani 1 1 d . . . . .
H75 H -0.6593 0.5734 0.8022 0.063 Uiso 1 1 calc R U . . .
C65 C -0.5330(8) 0.6892(11) 0.8175(7) 0.038(4) Uani 1 1 d . . . . .
C66 C -0.5389(8) 0.7404(13) 0.8583(9) 0.053(5) Uani 1 1 d . . . . .
H76 H -0.5410 0.7238 0.8932 0.063 Uiso 1 1 calc R U . . .
C67 C -0.5418(9) 0.8214(15) 0.8443(8) 0.058(6) Uani 1 1 d . . . . .
H77 H -0.5465 0.8582 0.8705 0.069 Uiso 1 1 calc R U . . .
C68 C -0.5375(10) 0.8446(13) 0.7920(9) 0.062(6) Uani 1 1 d . . . . .
H78 H -0.5367 0.8967 0.7831 0.075 Uiso 1 1 calc R U . . .
C69 C -0.5343(10) 0.7866(15) 0.7521(9) 0.067(6) Uani 1 1 d . . . . .
H79 H -0.5361 0.8018 0.7166 0.080 Uiso 1 1 calc R U . . .
C70 C -0.5287(12) 0.7084(18) 0.7640(9) 0.079(8) Uani 1 1 d . . . . .
H80 H -0.5225 0.6715 0.7383 0.095 Uiso 1 1 calc R U . . .
Cu1 Cu -0.2074(2) 0.5850(2) 0.49697(14) 0.1119(16) Uani 1 1 d . . . . .
Cu2 Cu -0.29037(13) 0.7055(2) 0.48447(9) 0.0682(9) Uani 1 1 d . . . . .
O10 O -0.3580(8) 0.7955(13) 0.4635(6) 0.088(6) Uani 1 1 d . . . . .
O11 O -0.4525(14) 0.7310(18) 0.3770(11) 0.146(10) Uiso 1 1 d . . . . .
O12 O -0.4895(13) 0.8241(19) 0.4020(11) 0.154(10) Uiso 1 1 d . . . . .
O13 O -0.5617(10) 0.7508(14) 0.3695(8) 0.106(6) Uiso 1 1 d . . . . .
N5 N -0.5035(10) 0.7602(15) 0.3831(8) 0.077(5) Uiso 1 1 d . . . . .
O14 O 0.0000 0.184(3) 0.5000 0.140(13) Uiso 1 2 d S . P . .
O15 O -0.0494(9) 0.2949(13) 0.4852(7) 0.097(6) Uiso 1 1 d . . . . .
N6 N 0.0000 0.2539(17) 0.5000 0.054(6) Uiso 1 2 d S . P . .
O16 O 0.0000 0.519(4) 0.0000 0.23(2) Uiso 1 2 d S . P . .
O17 O -0.0488(11) 0.6110(14) 0.0074(9) 0.110(7) Uiso 1 1 d . . . . .
N7 N 0.0000 0.592(3) 0.0000 0.101(11) Uiso 1 2 d S . P . .
O18 O -0.5000 0.3045(12) 1.0000 0.053(5) Uiso 1 2 d S . P . .
O19 O -0.4639(6) 0.4136(9) 0.9731(5) 0.058(4) Uiso 1 1 d . . . . .
N8 N -0.5000 0.3809(13) 1.0000 0.042(5) Uiso 1 2 d S . P . .
O20 O -0.4985(18) 0.400(3) 0.4537(15) 0.096(12) Uiso 0.5 1 d . . P . .
O21 O -0.4505(8) 0.4879(10) 0.4987(6) 0.073(4) Uiso 1 1 d . . . . .
N9 N -0.5029(17) 0.457(2) 0.4829(11) 0.050(8) Uiso 0.5 1 d . . P . .
O22 O 0.0678(15) 0.582(3) 0.3793(19) 0.29(2) Uiso 1 1 d D U . . .
O23 O 0.011(3) 0.487(2) 0.399(2) 0.45(4) Uiso 1 1 d D U . . .
O24 O -0.0338(12) 0.5802(16) 0.3533(10) 0.141(9) Uiso 1 1 d D U . . .
N10 N 0.0140(15) 0.554(2) 0.3772(12) 0.215(19) Uiso 1 1 d D U . . .
O25 O -0.0785(13) 0.4357(16) 0.4589(10) 0.152(10) Uiso 1 1 d D . . . .
O26 O -0.5000 0.672(2) 0.5000 0.126(11) Uiso 1 2 d S . P . .
O27 O -0.5000 0.1279(18) 1.0000 0.092(8) Uiso 1 2 d S . P . .
O28 O -0.4259(19) 0.884(3) 0.5200(17) 0.240(18) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.270(5) . ?
Au1 S1 2.332(4) . ?
Au1 Au2 2.9993(9) . ?
Au2 P2 2.274(5) . ?
Au2 S2 2.318(5) . ?
Pd1 N2 2.037(13) . ?
Pd1 N1 2.059(14) . ?
Pd1 S2 2.276(5) . ?
Pd1 S1 2.289(4) . ?
S1 C1 1.866(18) . ?
S2 C6 1.898(15) . ?
P1 C11 1.810(17) . ?
P1 C12 1.811(18) . ?
P1 C18 1.823(14) . ?
P2 C30 1.82(2) . ?
P2 C11 1.838(17) . ?
P2 C24 1.85(2) . ?
O1 C3 1.22(3) . ?
O1 Cu1 1.998(15) 2_556 ?
O2 C3 1.29(2) . ?
O2 Cu2 1.941(11) 2_556 ?
O3 C8 1.18(3) . ?
O3 Cu1 1.958(13) . ?
O4 C8 1.27(2) . ?
O4 Cu2 1.990(11) . ?
N1 C2 1.47(2) . ?
N1 H1 0.8900 . ?
N1 H2 0.8900 . ?
N2 C7 1.49(2) . ?
N2 H3 0.8900 . ?
N2 H4 0.8900 . ?
C1 C5 1.45(3) . ?
C1 C2 1.54(2) . ?
C1 C4 1.55(3) . ?
C2 C3 1.61(2) . ?
C2 H5 0.9800 . ?
C4 H6 0.9600 . ?
C4 H7 0.9600 . ?
C4 H8 0.9600 . ?
C5 H9 0.9600 . ?
C5 H10 0.9600 . ?
C5 H11 0.9600 . ?
C6 C10 1.49(3) . ?
C6 C9 1.52(3) . ?
C6 C7 1.55(3) . ?
C7 C8 1.62(2) . ?
C7 H12 0.9800 . ?
C9 H13 0.9600 . ?
C9 H14 0.9600 . ?
C9 H15 0.9600 . ?
C10 H16 0.9600 . ?
C10 H17 0.9600 . ?
C10 H18 0.9600 . ?
C11 H19 0.9700 . ?
C11 H20 0.9700 . ?
C12 C13 1.38(2) . ?
C12 C17 1.38(2) . ?
C13 C14 1.39(3) . ?
C13 H21 0.9300 . ?
C14 C15 1.26(3) . ?
C14 H22 0.9300 . ?
C15 C16 1.38(3) . ?
C15 H23 0.9300 . ?
C16 C17 1.45(3) . ?
C16 H24 0.9300 . ?
C17 H25 0.9300 . ?
C18 C19 1.34(2) . ?
C18 C23 1.35(3) . ?
C19 C20 1.41(2) . ?
C19 H26 0.9300 . ?
C20 C21 1.38(3) . ?
C20 H27 0.9300 . ?
C21 C22 1.41(4) . ?
C21 H28 0.9300 . ?
C22 C23 1.37(3) . ?
C22 H29 0.9300 . ?
C23 H30 0.9300 . ?
C24 C25 1.35(3) . ?
C24 C29 1.42(2) . ?
C25 C26 1.41(3) . ?
C25 H31 0.9300 . ?
C26 C27 1.35(3) . ?
C26 H32 0.9300 . ?
C27 C28 1.27(3) . ?
C27 H33 0.9300 . ?
C28 C29 1.41(3) . ?
C28 H34 0.9300 . ?
C29 H35 0.9300 . ?
C30 C35 1.36(3) . ?
C30 C31 1.39(3) . ?
C31 C32 1.37(3) . ?
C31 H36 0.9300 . ?
C32 C33 1.38(4) . ?
C32 H37 0.9300 . ?
C33 C34 1.34(5) . ?
C33 H38 0.9300 . ?
C34 C35 1.50(4) . ?
C34 H39 0.9300 . ?
C35 H40 0.9300 . ?
Au3 P3 2.284(5) . ?
Au3 S3 2.339(4) . ?
Au3 Au4 3.0353(10) . ?
Au4 P4 2.269(5) . ?
Au4 S4 2.313(5) . ?
Pd2 N4 2.030(14) . ?
Pd2 N3 2.092(13) . ?
Pd2 S4 2.291(4) . ?
Pd2 S3 2.292(4) . ?
S3 C36 1.908(16) . ?
S4 C41 1.856(19) . ?
P3 C53 1.80(2) . ?
P3 C47 1.82(2) . ?
P3 C46 1.875(17) . ?
P4 C46 1.783(19) . ?
P4 C59 1.810(16) . ?
P4 C65 1.848(19) . ?
O5 C38 1.25(3) . ?
O5 Cu1 1.932(11) . ?
O6 C38 1.21(3) . ?
O6 Cu2 2.012(13) . ?
O7 C43 1.22(3) . ?
O7 Cu1 2.26(2) 2_456 ?
O8 C43 1.07(3) . ?
O8 Cu2 1.913(16) 2_456 ?
O9 Cu1 2.08(3) . ?
N3 C37 1.467(13) . ?
N3 H41 0.8900 . ?
N3 H42 0.8900 . ?
N4 C42 1.48(3) . ?
N4 H43 0.8900 . ?
N4 H44 0.8900 . ?
C36 C39 1.49(3) . ?
C36 C40 1.50(2) . ?
C36 C37 1.56(2) . ?
C37 C38 1.57(2) . ?
C37 H45 0.9800 . ?
C39 H46 0.9600 . ?
C39 H47 0.9600 . ?
C39 H48 0.9600 . ?
C40 H49 0.9600 . ?
C40 H50 0.9600 . ?
C40 H51 0.9600 . ?
C41 C42 1.53(3) . ?
C41 C44 1.53(3) . ?
C41 C45 1.58(3) . ?
C42 C43 1.58(3) . ?
C42 H52 0.9800 . ?
C44 H53 0.9600 . ?
C44 H54 0.9600 . ?
C44 H55 0.9600 . ?
C45 H56 0.9600 . ?
C45 H57 0.9600 . ?
C45 H58 0.9600 . ?
C46 H59 0.9700 . ?
C46 H60 0.9700 . ?
C47 C48 1.37(3) . ?
C47 C52 1.39(3) . ?
C48 C49 1.42(3) . ?
C48 H61 0.9300 . ?
C49 C50 1.39(3) . ?
C49 H62 0.9300 . ?
C50 C51 1.36(3) . ?
C50 H63 0.9300 . ?
C51 C52 1.41(3) . ?
C51 H64 0.9300 . ?
C52 H65 0.9300 . ?
C53 C58 1.35(3) . ?
C53 C54 1.39(3) . ?
C54 C55 1.39(3) . ?
C54 H66 0.9300 . ?
C55 C56 1.32(4) . ?
C55 H67 0.9300 . ?
C56 C57 1.39(4) . ?
C56 H68 0.9300 . ?
C57 C58 1.34(4) . ?
C57 H69 0.9300 . ?
C58 H70 0.9300 . ?
C59 C64 1.33(3) . ?
C59 C60 1.41(3) . ?
C60 C61 1.32(3) . ?
C60 H71 0.9300 . ?
C61 C62 1.30(4) . ?
C61 H72 0.9300 . ?
C62 C63 1.38(3) . ?
C62 H73 0.9300 . ?
C63 C64 1.44(2) . ?
C63 H74 0.9300 . ?
C64 H75 0.9300 . ?
C65 C66 1.37(3) . ?
C65 C70 1.40(3) . ?
C66 C67 1.45(3) . ?
C66 H76 0.9300 . ?
C67 C68 1.39(3) . ?
C67 H77 0.9300 . ?
C68 C69 1.43(3) . ?
C68 H78 0.9300 . ?
C69 C70 1.39(4) . ?
C69 H79 0.9300 . ?
C70 H80 0.9300 . ?
Cu1 O1 1.998(15) 2_556 ?
Cu1 O7 2.26(2) 2_456 ?
Cu1 Cu2 2.708(6) . ?
Cu2 O8 1.913(16) 2_456 ?
Cu2 O2 1.941(11) 2_556 ?
Cu2 O10 2.13(2) . ?
O11 N5 1.20(3) . ?
O12 N5 1.23(3) . ?
O13 N5 1.23(2) . ?
O14 N6 1.22(5) . ?
O15 N6 1.27(2) . ?
N6 O15 1.27(2) 2_556 ?
O16 N7 1.28(7) . ?
O17 N7 1.10(2) . ?
N7 O17 1.10(2) 2 ?
O18 N8 1.32(3) . ?
O19 N8 1.209(17) . ?
N8 O19 1.209(17) 2_457 ?
O20 N9 1.24(5) . ?
O21 N9 1.24(4) . ?
O21 N9 1.25(4) 2_456 ?
N9 N9 0.85(5) 2_456 ?
N9 O21 1.25(4) 2_456 ?
O22 N10 1.22(2) . ?
O23 N10 1.29(2) . ?
O24 N10 1.19(2) . ?

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 168.61(15) . . ?
P1 Au1 Au2 87.62(10) . . ?
S1 Au1 Au2 101.74(9) . . ?
P2 Au2 S2 173.07(18) . . ?
P2 Au2 Au1 92.84(11) . . ?
S2 Au2 Au1 89.02(10) . . ?
N2 Pd1 N1 90.8(6) . . ?
N2 Pd1 S2 85.0(5) . . ?
N1 Pd1 S2 173.6(4) . . ?
N2 Pd1 S1 175.8(5) . . ?
N1 Pd1 S1 85.4(4) . . ?
S2 Pd1 S1 98.94(15) . . ?
C1 S1 Pd1 99.1(6) . . ?
C1 S1 Au1 102.3(6) . . ?
Pd1 S1 Au1 94.78(16) . . ?
C6 S2 Pd1 99.0(7) . . ?
C6 S2 Au2 109.4(7) . . ?
Pd1 S2 Au2 97.25(17) . . ?
C11 P1 C12 106.6(8) . . ?
C11 P1 C18 106.6(8) . . ?
C12 P1 C18 106.8(7) . . ?
C11 P1 Au1 115.4(6) . . ?
C12 P1 Au1 111.3(5) . . ?
C18 P1 Au1 109.8(6) . . ?
C30 P2 C11 109.1(9) . . ?
C30 P2 C24 104.5(9) . . ?
C11 P2 C24 103.5(8) . . ?
C30 P2 Au2 116.3(6) . . ?
C11 P2 Au2 110.6(6) . . ?
C24 P2 Au2 111.8(6) . . ?
C3 O1 Cu1 127.8(15) . 2_556 ?
C3 O2 Cu2 114.1(13) . 2_556 ?
C8 O3 Cu1 118.5(13) . . ?
C8 O4 Cu2 123.8(14) . . ?
C2 N1 Pd1 112.5(11) . . ?
C2 N1 H1 109.1 . . ?
Pd1 N1 H1 109.1 . . ?
C2 N1 H2 109.1 . . ?
Pd1 N1 H2 109.1 . . ?
H1 N1 H2 107.8 . . ?
C7 N2 Pd1 118.6(11) . . ?
C7 N2 H3 107.7 . . ?
Pd1 N2 H3 107.7 . . ?
C7 N2 H4 107.7 . . ?
Pd1 N2 H4 107.7 . . ?
H3 N2 H4 107.1 . . ?
C5 C1 C2 112.5(16) . . ?
C5 C1 C4 111.0(14) . . ?
C2 C1 C4 109.1(16) . . ?
C5 C1 S1 108.5(15) . . ?
C2 C1 S1 101.2(9) . . ?
C4 C1 S1 114.3(13) . . ?
N1 C2 C1 111.4(15) . . ?
N1 C2 C3 105.1(13) . . ?
C1 C2 C3 113.1(11) . . ?
N1 C2 H5 109.0 . . ?
C1 C2 H5 109.0 . . ?
C3 C2 H5 109.0 . . ?
O1 C3 O2 128.1(19) . . ?
O1 C3 C2 117.0(19) . . ?
O2 C3 C2 114.8(18) . . ?
C1 C4 H6 109.5 . . ?
C1 C4 H7 109.5 . . ?
H6 C4 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
H6 C4 H8 109.5 . . ?
H7 C4 H8 109.5 . . ?
C1 C5 H9 109.5 . . ?
C1 C5 H10 109.5 . . ?
H9 C5 H10 109.5 . . ?
C1 C5 H11 109.5 . . ?
H9 C5 H11 109.5 . . ?
H10 C5 H11 109.5 . . ?
C10 C6 C9 115.6(19) . . ?
C10 C6 C7 114.3(17) . . ?
C9 C6 C7 109.5(18) . . ?
C10 C6 S2 103.7(13) . . ?
C9 C6 S2 106.6(13) . . ?
C7 C6 S2 106.3(11) . . ?
N2 C7 C6 107.1(14) . . ?
N2 C7 C8 105.0(14) . . ?
C6 C7 C8 116.1(15) . . ?
N2 C7 H12 109.4 . . ?
C6 C7 H12 109.4 . . ?
C8 C7 H12 109.4 . . ?
O3 C8 O4 130.5(19) . . ?
O3 C8 C7 115.7(17) . . ?
O4 C8 C7 113(2) . . ?
C6 C9 H13 109.5 . . ?
C6 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
C6 C9 H15 109.5 . . ?
H13 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
C6 C10 H16 109.5 . . ?
C6 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C6 C10 H18 109.5 . . ?
H16 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
P1 C11 P2 111.6(9) . . ?
P1 C11 H19 109.3 . . ?
P2 C11 H19 109.3 . . ?
P1 C11 H20 109.3 . . ?
P2 C11 H20 109.3 . . ?
H19 C11 H20 108.0 . . ?
C13 C12 C17 122.5(18) . . ?
C13 C12 P1 119.6(14) . . ?
C17 C12 P1 117.6(13) . . ?
C12 C13 C14 117.4(19) . . ?
C12 C13 H21 121.3 . . ?
C14 C13 H21 121.3 . . ?
C15 C14 C13 122(2) . . ?
C15 C14 H22 118.8 . . ?
C13 C14 H22 118.8 . . ?
C14 C15 C16 124(3) . . ?
C14 C15 H23 118.2 . . ?
C16 C15 H23 118.2 . . ?
C15 C16 C17 117(2) . . ?
C15 C16 H24 121.4 . . ?
C17 C16 H24 121.4 . . ?
C12 C17 C16 116.6(19) . . ?
C12 C17 H25 121.7 . . ?
C16 C17 H25 121.7 . . ?
C19 C18 C23 122.7(17) . . ?
C19 C18 P1 116.4(13) . . ?
C23 C18 P1 120.4(13) . . ?
C18 C19 C20 121.5(19) . . ?
C18 C19 H26 119.2 . . ?
C20 C19 H26 119.2 . . ?
C21 C20 C19 115.1(18) . . ?
C21 C20 H27 122.4 . . ?
C19 C20 H27 122.4 . . ?
C20 C21 C22 121.8(18) . . ?
C20 C21 H28 119.1 . . ?
C22 C21 H28 119.1 . . ?
C23 C22 C21 118(2) . . ?
C23 C22 H29 120.8 . . ?
C21 C22 H29 120.8 . . ?
C18 C23 C22 118(2) . . ?
C18 C23 H30 120.8 . . ?
C22 C23 H30 120.8 . . ?
C25 C24 C29 121.0(19) . . ?
C25 C24 P2 123.7(16) . . ?
C29 C24 P2 115.3(15) . . ?
C24 C25 C26 120(2) . . ?
C24 C25 H31 119.9 . . ?
C26 C25 H31 119.9 . . ?
C27 C26 C25 115(2) . . ?
C27 C26 H32 122.5 . . ?
C25 C26 H32 122.5 . . ?
C28 C27 C26 128(2) . . ?
C28 C27 H33 115.8 . . ?
C26 C27 H33 115.8 . . ?
C27 C28 C29 118.4(19) . . ?
C27 C28 H34 120.8 . . ?
C29 C28 H34 120.8 . . ?
C28 C29 C24 116.7(19) . . ?
C28 C29 H35 121.6 . . ?
C24 C29 H35 121.6 . . ?
C35 C30 C31 122(2) . . ?
C35 C30 P2 116.6(16) . . ?
C31 C30 P2 121.3(15) . . ?
C32 C31 C30 120(2) . . ?
C32 C31 H36 120.2 . . ?
C30 C31 H36 120.2 . . ?
C31 C32 C33 123(3) . . ?
C31 C32 H37 118.5 . . ?
C33 C32 H37 118.5 . . ?
C34 C33 C32 117(3) . . ?
C34 C33 H38 121.3 . . ?
C32 C33 H38 121.3 . . ?
C33 C34 C35 123(3) . . ?
C33 C34 H39 118.7 . . ?
C35 C34 H39 118.7 . . ?
C30 C35 C34 115(2) . . ?
C30 C35 H40 122.3 . . ?
C34 C35 H40 122.3 . . ?
P3 Au3 S3 174.47(15) . . ?
P3 Au3 Au4 94.24(11) . . ?
S3 Au3 Au4 91.07(9) . . ?
P4 Au4 S4 174.39(16) . . ?
P4 Au4 Au3 84.80(12) . . ?
S4 Au4 Au3 99.86(10) . . ?
N4 Pd2 N3 90.3(6) . . ?
N4 Pd2 S4 85.5(5) . . ?
N3 Pd2 S4 171.5(5) . . ?
N4 Pd2 S3 174.4(5) . . ?
N3 Pd2 S3 85.8(5) . . ?
S4 Pd2 S3 98.89(15) . . ?
C36 S3 Pd2 98.5(6) . . ?
C36 S3 Au3 105.0(6) . . ?
Pd2 S3 Au3 101.26(16) . . ?
C41 S4 Pd2 100.0(6) . . ?
C41 S4 Au4 104.0(7) . . ?
Pd2 S4 Au4 93.16(17) . . ?
C53 P3 C47 106.0(9) . . ?
C53 P3 C46 108.3(8) . . ?
C47 P3 C46 104.1(9) . . ?
C53 P3 Au3 112.3(6) . . ?
C47 P3 Au3 115.7(6) . . ?
C46 P3 Au3 109.9(7) . . ?
C46 P4 C59 107.8(9) . . ?
C46 P4 C65 107.0(10) . . ?
C59 P4 C65 103.8(8) . . ?
C46 P4 Au4 115.9(7) . . ?
C59 P4 Au4 111.0(8) . . ?
C65 P4 Au4 110.5(6) . . ?
C38 O5 Cu1 123.3(13) . . ?
C38 O6 Cu2 122.7(14) . . ?
C43 O7 Cu1 125(2) . 2_456 ?
C43 O8 Cu2 130(2) . 2_456 ?
C37 N3 Pd2 107.7(11) . . ?
C37 N3 H41 110.2 . . ?
Pd2 N3 H41 110.2 . . ?
C37 N3 H42 110.2 . . ?
Pd2 N3 H42 110.2 . . ?
H41 N3 H42 108.5 . . ?
C42 N4 Pd2 116.4(13) . . ?
C42 N4 H43 108.2 . . ?
Pd2 N4 H43 108.2 . . ?
C42 N4 H44 108.2 . . ?
Pd2 N4 H44 108.2 . . ?
H43 N4 H44 107.3 . . ?
C39 C36 C40 108.8(15) . . ?
C39 C36 C37 115.4(17) . . ?
C40 C36 C37 113.4(14) . . ?
C39 C36 S3 111.1(10) . . ?
C40 C36 S3 107.2(14) . . ?
C37 C36 S3 100.4(11) . . ?
N3 C37 C36 107.7(13) . . ?
N3 C37 C38 108.2(16) . . ?
C36 C37 C38 109.8(15) . . ?
N3 C37 H45 110.4 . . ?
C36 C37 H45 110.4 . . ?
C38 C37 H45 110.4 . . ?
O6 C38 O5 126.8(17) . . ?
O6 C38 C37 120(2) . . ?
O5 C38 C37 113(2) . . ?
C36 C39 H46 109.5 . . ?
C36 C39 H47 109.5 . . ?
H46 C39 H47 109.5 . . ?
C36 C39 H48 109.5 . . ?
H46 C39 H48 109.5 . . ?
H47 C39 H48 109.5 . . ?
C36 C40 H49 109.5 . . ?
C36 C40 H50 109.5 . . ?
H49 C40 H50 109.5 . . ?
C36 C40 H51 109.5 . . ?
H49 C40 H51 109.5 . . ?
H50 C40 H51 109.5 . . ?
C42 C41 C44 117.7(18) . . ?
C42 C41 C45 107.5(19) . . ?
C44 C41 C45 106.1(16) . . ?
C42 C41 S4 110.4(13) . . ?
C44 C41 S4 110.2(15) . . ?
C45 C41 S4 103.8(13) . . ?
N4 C42 C41 110.0(16) . . ?
N4 C42 C43 104(2) . . ?
C41 C42 C43 122.5(17) . . ?
N4 C42 H52 106.4 . . ?
C41 C42 H52 106.4 . . ?
C43 C42 H52 106.4 . . ?
O8 C43 O7 121(3) . . ?
O8 C43 C42 119(2) . . ?
O7 C43 C42 120(3) . . ?
C41 C44 H53 109.5 . . ?
C41 C44 H54 109.5 . . ?
H53 C44 H54 109.5 . . ?
C41 C44 H55 109.5 . . ?
H53 C44 H55 109.5 . . ?
H54 C44 H55 109.5 . . ?
C41 C45 H56 109.5 . . ?
C41 C45 H57 109.5 . . ?
H56 C45 H57 109.5 . . ?
C41 C45 H58 109.5 . . ?
H56 C45 H58 109.5 . . ?
H57 C45 H58 109.5 . . ?
P4 C46 P3 111.5(9) . . ?
P4 C46 H59 109.3 . . ?
P3 C46 H59 109.3 . . ?
P4 C46 H60 109.3 . . ?
P3 C46 H60 109.3 . . ?
H59 C46 H60 108.0 . . ?
C48 C47 C52 121.0(19) . . ?
C48 C47 P3 121.3(15) . . ?
C52 C47 P3 117.6(15) . . ?
C47 C48 C49 120(2) . . ?
C47 C48 H61 120.2 . . ?
C49 C48 H61 120.2 . . ?
C50 C49 C48 120(2) . . ?
C50 C49 H62 120.0 . . ?
C48 C49 H62 120.0 . . ?
C51 C50 C49 119(2) . . ?
C51 C50 H63 120.6 . . ?
C49 C50 H63 120.6 . . ?
C50 C51 C52 123(2) . . ?
C50 C51 H64 118.7 . . ?
C52 C51 H64 118.7 . . ?
C47 C52 C51 117.7(19) . . ?
C47 C52 H65 121.1 . . ?
C51 C52 H65 121.1 . . ?
C58 C53 C54 115(2) . . ?
C58 C53 P3 125(2) . . ?
C54 C53 P3 120.3(16) . . ?
C55 C54 C53 123(2) . . ?
C55 C54 H66 118.7 . . ?
C53 C54 H66 118.7 . . ?
C56 C55 C54 118(3) . . ?
C56 C55 H67 121.2 . . ?
C54 C55 H67 121.2 . . ?
C55 C56 C57 123(3) . . ?
C55 C56 H68 118.5 . . ?
C57 C56 H68 118.5 . . ?
C58 C57 C56 117(3) . . ?
C58 C57 H69 121.7 . . ?
C56 C57 H69 121.7 . . ?
C57 C58 C53 125(3) . . ?
C57 C58 H70 117.3 . . ?
C53 C58 H70 117.3 . . ?
C64 C59 C60 118.4(16) . . ?
C64 C59 P4 117.5(15) . . ?
C60 C59 P4 123.2(17) . . ?
C61 C60 C59 123(2) . . ?
C61 C60 H71 118.5 . . ?
C59 C60 H71 118.5 . . ?
C62 C61 C60 119(2) . . ?
C62 C61 H72 120.3 . . ?
C60 C61 H72 120.3 . . ?
C61 C62 C63 122(2) . . ?
C61 C62 H73 119.2 . . ?
C63 C62 H73 119.2 . . ?
C62 C63 C64 119(2) . . ?
C62 C63 H74 120.4 . . ?
C64 C63 H74 120.4 . . ?
C59 C64 C63 117.8(18) . . ?
C59 C64 H75 121.1 . . ?
C63 C64 H75 121.1 . . ?
C66 C65 C70 126(2) . . ?
C66 C65 P4 116.3(14) . . ?
C70 C65 P4 117.8(18) . . ?
C65 C66 C67 117(2) . . ?
C65 C66 H76 121.7 . . ?
C67 C66 H76 121.7 . . ?
C68 C67 C66 120(2) . . ?
C68 C67 H77 119.8 . . ?
C66 C67 H77 119.8 . . ?
C67 C68 C69 118(2) . . ?
C67 C68 H78 120.8 . . ?
C69 C68 H78 120.8 . . ?
C70 C69 C68 123(2) . . ?
C70 C69 H79 118.5 . . ?
C68 C69 H79 118.5 . . ?
C69 C70 C65 115(3) . . ?
C69 C70 H80 122.4 . . ?
C65 C70 H80 122.4 . . ?
O5 Cu1 O3 169.5(8) . . ?
O5 Cu1 O1 90.0(5) . 2_556 ?
O3 Cu1 O1 89.5(7) . 2_556 ?
O5 Cu1 O9 93.1(8) . . ?
O3 Cu1 O9 97.4(8) . . ?
O1 Cu1 O9 87.6(10) 2_556 . ?
O5 Cu1 O7 87.8(6) . 2_456 ?
O3 Cu1 O7 87.2(7) . 2_456 ?
O1 Cu1 O7 149.1(8) 2_556 2_456 ?
O9 Cu1 O7 123.3(10) . 2_456 ?
O5 Cu1 Cu2 83.3(5) . . ?
O3 Cu1 Cu2 86.4(5) . . ?
O1 Cu1 Cu2 76.0(5) 2_556 . ?
O9 Cu1 Cu2 163.1(8) . . ?
O7 Cu1 Cu2 73.2(5) 2_456 . ?
O8 Cu2 O2 175.9(8) 2_456 2_556 ?
O8 Cu2 O4 91.2(6) 2_456 . ?
O2 Cu2 O4 87.6(5) 2_556 . ?
O8 Cu2 O6 87.7(7) 2_456 . ?
O2 Cu2 O6 92.0(5) 2_556 . ?
O4 Cu2 O6 159.8(7) . . ?
O8 Cu2 O10 87.8(8) 2_456 . ?
O2 Cu2 O10 96.2(7) 2_556 . ?
O4 Cu2 O10 96.6(6) . . ?
O6 Cu2 O10 103.5(7) . . ?
O8 Cu2 Cu1 86.0(7) 2_456 . ?
O2 Cu2 Cu1 89.9(5) 2_556 . ?
O4 Cu2 Cu1 78.8(4) . . ?
O6 Cu2 Cu1 81.1(5) . . ?
O10 Cu2 Cu1 172.2(5) . . ?
O11 N5 O12 105(3) . . ?
O11 N5 O13 140(3) . . ?
O12 N5 O13 114(3) . . ?
O14 N6 O15 124.0(15) . . ?
O14 N6 O15 124.0(15) . 2_556 ?
O15 N6 O15 112(3) . 2_556 ?
O17 N7 O17 145(6) 2 . ?
O17 N7 O16 107(3) 2 . ?
O17 N7 O16 107(3) . . ?
O19 N8 O19 124(2) . 2_457 ?
O19 N8 O18 118.0(12) . . ?
O19 N8 O18 118.0(12) 2_457 . ?
N9 O21 N9 40(2) . 2_456 ?
N9 N9 O20 126(3) 2_456 . ?
N9 N9 O21 70(4) 2_456 . ?
O20 N9 O21 115(3) . . ?
N9 N9 O21 70(4) 2_456 2_456 ?
O20 N9 O21 133(4) . 2_456 ?
O21 N9 O21 113(3) . 2_456 ?
O24 N10 O22 126(3) . . ?
O24 N10 O23 119(3) . . ?
O22 N10 O23 115(3) . . ?

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
Pd1 S1 C1 C5 -160.6(11) . . . . ?
Au1 S1 C1 C5 102.4(12) . . . . ?
Pd1 S1 C1 C2 -42.1(13) . . . . ?
Au1 S1 C1 C2 -139.0(11) . . . . ?
Pd1 S1 C1 C4 75.0(12) . . . . ?
Au1 S1 C1 C4 -21.9(13) . . . . ?
Pd1 N1 C2 C1 -49.2(16) . . . . ?
Pd1 N1 C2 C3 -172.1(10) . . . . ?
C5 C1 C2 N1 176.1(16) . . . . ?
C4 C1 C2 N1 -60.3(17) . . . . ?
S1 C1 C2 N1 60.5(16) . . . . ?
C5 C1 C2 C3 -66(2) . . . . ?
C4 C1 C2 C3 57.9(19) . . . . ?
S1 C1 C2 C3 178.7(13) . . . . ?
Cu1 O1 C3 O2 23(2) 2_556 . . . ?
Cu1 O1 C3 C2 -155.5(10) 2_556 . . . ?
Cu2 O2 C3 O1 -4(2) 2_556 . . . ?
Cu2 O2 C3 C2 174.2(8) 2_556 . . . ?
N1 C2 C3 O1 32.5(17) . . . . ?
C1 C2 C3 O1 -89.3(18) . . . . ?
N1 C2 C3 O2 -146.1(13) . . . . ?
C1 C2 C3 O2 92.1(17) . . . . ?
Pd1 S2 C6 C10 82.1(15) . . . . ?
Au2 S2 C6 C10 -176.9(13) . . . . ?
Pd1 S2 C6 C9 -155.4(15) . . . . ?
Au2 S2 C6 C9 -54.4(17) . . . . ?
Pd1 S2 C6 C7 -38.7(13) . . . . ?
Au2 S2 C6 C7 62.3(13) . . . . ?
Pd1 N2 C7 C6 -44.5(17) . . . . ?
Pd1 N2 C7 C8 -168.6(12) . . . . ?
C10 C6 C7 N2 -61.2(17) . . . . ?
C9 C6 C7 N2 167.3(14) . . . . ?
S2 C6 C7 N2 52.6(15) . . . . ?
C10 C6 C7 C8 56(2) . . . . ?
C9 C6 C7 C8 -75.7(19) . . . . ?
S2 C6 C7 C8 169.5(12) . . . . ?
Cu1 O3 C8 O4 1(3) . . . . ?
Cu1 O3 C8 C7 -172.6(11) . . . . ?
Cu2 O4 C8 O3 13(3) . . . . ?
Cu2 O4 C8 C7 -173.9(10) . . . . ?
N2 C7 C8 O3 -46(2) . . . . ?
C6 C7 C8 O3 -163.9(18) . . . . ?
N2 C7 C8 O4 140.0(16) . . . . ?
C6 C7 C8 O4 22(2) . . . . ?
C12 P1 C11 P2 71.6(12) . . . . ?
C18 P1 C11 P2 -174.7(10) . . . . ?
Au1 P1 C11 P2 -52.5(12) . . . . ?
C30 P2 C11 P1 -80.3(12) . . . . ?
C24 P2 C11 P1 168.8(10) . . . . ?
Au2 P2 C11 P1 48.8(12) . . . . ?
C11 P1 C12 C13 -101.9(14) . . . . ?
C18 P1 C12 C13 144.4(13) . . . . ?
Au1 P1 C12 C13 24.6(14) . . . . ?
C11 P1 C12 C17 71.4(14) . . . . ?
C18 P1 C12 C17 -42.3(14) . . . . ?
Au1 P1 C12 C17 -162.0(11) . . . . ?
C17 C12 C13 C14 2(3) . . . . ?
P1 C12 C13 C14 174.5(15) . . . . ?
C12 C13 C14 C15 1(3) . . . . ?
C13 C14 C15 C16 0(4) . . . . ?
C14 C15 C16 C17 -3(4) . . . . ?
C13 C12 C17 C16 -4(3) . . . . ?
P1 C12 C17 C16 -177.2(14) . . . . ?
C15 C16 C17 C12 5(3) . . . . ?
C11 P1 C18 C19 173.9(17) . . . . ?
C12 P1 C18 C19 -72.4(18) . . . . ?
Au1 P1 C18 C19 48.3(18) . . . . ?
C11 P1 C18 C23 2(2) . . . . ?
C12 P1 C18 C23 115.3(18) . . . . ?
Au1 P1 C18 C23 -124.0(17) . . . . ?
C23 C18 C19 C20 -3(4) . . . . ?
P1 C18 C19 C20 -174.9(19) . . . . ?
C18 C19 C20 C21 1(4) . . . . ?
C19 C20 C21 C22 -8(4) . . . . ?
C20 C21 C22 C23 16(5) . . . . ?
C19 C18 C23 C22 11(4) . . . . ?
P1 C18 C23 C22 -177(3) . . . . ?
C21 C22 C23 C18 -17(5) . . . . ?
C30 P2 C24 C25 -74(2) . . . . ?
C11 P2 C24 C25 40(2) . . . . ?
Au2 P2 C24 C25 159.0(17) . . . . ?
C30 P2 C24 C29 103.0(17) . . . . ?
C11 P2 C24 C29 -142.7(16) . . . . ?
Au2 P2 C24 C29 -23.6(17) . . . . ?
C29 C24 C25 C26 2(3) . . . . ?
P2 C24 C25 C26 179.0(17) . . . . ?
C24 C25 C26 C27 -3(3) . . . . ?
C25 C26 C27 C28 5(4) . . . . ?
C26 C27 C28 C29 -6(5) . . . . ?
C27 C28 C29 C24 3(3) . . . . ?
C25 C24 C29 C28 -2(3) . . . . ?
P2 C24 C29 C28 -179.1(16) . . . . ?
C11 P2 C30 C35 144.5(15) . . . . ?
C24 P2 C30 C35 -105.3(16) . . . . ?
Au2 P2 C30 C35 18.5(18) . . . . ?
C11 P2 C30 C31 -40.4(17) . . . . ?
C24 P2 C30 C31 69.8(16) . . . . ?
Au2 P2 C30 C31 -166.4(13) . . . . ?
C35 C30 C31 C32 0(3) . . . . ?
P2 C30 C31 C32 -174.3(16) . . . . ?
C30 C31 C32 C33 1(4) . . . . ?
C31 C32 C33 C34 -3(4) . . . . ?
C32 C33 C34 C35 4(5) . . . . ?
C31 C30 C35 C34 0(3) . . . . ?
P2 C30 C35 C34 175.2(18) . . . . ?
C33 C34 C35 C30 -3(4) . . . . ?
Pd2 N3 C37 C36 -63.7(16) . . . . ?
Pd2 N3 C37 C38 177.7(11) . . . . ?
C39 C36 C37 N3 -52.6(18) . . . . ?
C40 C36 C37 N3 -179.1(16) . . . . ?
S3 C36 C37 N3 66.9(16) . . . . ?
C39 C36 C37 C38 65.0(19) . . . . ?
C40 C36 C37 C38 -62(2) . . . . ?
S3 C36 C37 C38 -175.6(15) . . . . ?
Cu2 O6 C38 O5 10(3) . . . . ?
Cu2 O6 C38 C37 -164.2(12) . . . . ?
Cu1 O5 C38 O6 7(3) . . . . ?
Cu1 O5 C38 C37 -178.4(11) . . . . ?
N3 C37 C38 O6 19(2) . . . . ?
C36 C37 C38 O6 -98(2) . . . . ?
N3 C37 C38 O5 -156.3(17) . . . . ?
C36 C37 C38 O5 86(2) . . . . ?
Pd2 S4 C41 C42 -23.5(17) . . . . ?
Au4 S4 C41 C42 72.4(17) . . . . ?
Pd2 S4 C41 C44 -155.2(14) . . . . ?
Au4 S4 C41 C44 -59.4(15) . . . . ?
Pd2 S4 C41 C45 91.5(11) . . . . ?
Au4 S4 C41 C45 -172.6(10) . . . . ?
Pd2 N4 C42 C41 -46(2) . . . . ?
Pd2 N4 C42 C43 -179.0(14) . . . . ?
C44 C41 C42 N4 171.4(19) . . . . ?
C45 C41 C42 N4 -69(2) . . . . ?
S4 C41 C42 N4 44(2) . . . . ?
C44 C41 C42 C43 -66(3) . . . . ?
C45 C41 C42 C43 54(3) . . . . ?
S4 C41 C42 C43 166(2) . . . . ?
Cu2 O8 C43 O7 21(5) 2_456 . . . ?
Cu2 O8 C43 C42 -171.3(16) 2_456 . . . ?
Cu1 O7 C43 O8 2(4) 2_456 . . . ?
Cu1 O7 C43 C42 -165.7(19) 2_456 . . . ?
N4 C42 C43 O8 -35(3) . . . . ?
C41 C42 C43 O8 -161(3) . . . . ?
N4 C42 C43 O7 133(3) . . . . ?
C41 C42 C43 O7 7(4) . . . . ?
C59 P4 C46 P3 -176.5(11) . . . . ?
C65 P4 C46 P3 -65.3(13) . . . . ?
Au4 P4 C46 P3 58.5(14) . . . . ?
C53 P3 C46 P4 -166.4(11) . . . . ?
C47 P3 C46 P4 81.1(14) . . . . ?
Au3 P3 C46 P4 -43.4(13) . . . . ?
C53 P3 C47 C48 122.0(15) . . . . ?
C46 P3 C47 C48 -123.9(15) . . . . ?
Au3 P3 C47 C48 -3.2(17) . . . . ?
C53 P3 C47 C52 -56.1(15) . . . . ?
C46 P3 C47 C52 58.1(15) . . . . ?
Au3 P3 C47 C52 178.7(11) . . . . ?
C52 C47 C48 C49 -2(3) . . . . ?
P3 C47 C48 C49 -179.5(15) . . . . ?
C47 C48 C49 C50 -3(3) . . . . ?
C48 C49 C50 C51 4(3) . . . . ?
C49 C50 C51 C52 -2(3) . . . . ?
C48 C47 C52 C51 4(3) . . . . ?
P3 C47 C52 C51 -178.1(13) . . . . ?
C50 C51 C52 C47 -2(3) . . . . ?
C47 P3 C53 C58 153.8(18) . . . . ?
C46 P3 C53 C58 43(2) . . . . ?
Au3 P3 C53 C58 -79.0(19) . . . . ?
C47 P3 C53 C54 -25.6(17) . . . . ?
C46 P3 C53 C54 -136.8(16) . . . . ?
Au3 P3 C53 C54 101.6(15) . . . . ?
C58 C53 C54 C55 6(3) . . . . ?
P3 C53 C54 C55 -174.6(15) . . . . ?
C53 C54 C55 C56 -4(3) . . . . ?
C54 C55 C56 C57 1(4) . . . . ?
C55 C56 C57 C58 1(4) . . . . ?
C56 C57 C58 C53 1(4) . . . . ?
C54 C53 C58 C57 -5(4) . . . . ?
P3 C53 C58 C57 176(2) . . . . ?
C46 P4 C59 C64 -173.1(17) . . . . ?
C65 P4 C59 C64 73.6(18) . . . . ?
Au4 P4 C59 C64 -45.2(18) . . . . ?
C46 P4 C59 C60 18(2) . . . . ?
C65 P4 C59 C60 -95.5(19) . . . . ?
Au4 P4 C59 C60 145.7(17) . . . . ?
C64 C59 C60 C61 8(4) . . . . ?
P4 C59 C60 C61 177(2) . . . . ?
C59 C60 C61 C62 -4(5) . . . . ?
C60 C61 C62 C63 -1(4) . . . . ?
C61 C62 C63 C64 1(4) . . . . ?
C60 C59 C64 C63 -8(3) . . . . ?
P4 C59 C64 C63 -177.7(15) . . . . ?
C62 C63 C64 C59 4(3) . . . . ?
C46 P4 C65 C66 -59.5(15) . . . . ?
C59 P4 C65 C66 54.4(16) . . . . ?
Au4 P4 C65 C66 173.5(12) . . . . ?
C46 P4 C65 C70 119.4(16) . . . . ?
C59 P4 C65 C70 -126.8(17) . . . . ?
Au4 P4 C65 C70 -7.6(17) . . . . ?
C70 C65 C66 C67 1(3) . . . . ?
P4 C65 C66 C67 179.6(13) . . . . ?
C65 C66 C67 C68 -1(3) . . . . ?
C66 C67 C68 C69 4(3) . . . . ?
C67 C68 C69 C70 -7(3) . . . . ?
C68 C69 C70 C65 6(3) . . . . ?
C66 C65 C70 C69 -3(3) . . . . ?
P4 C65 C70 C69 177.9(16) . . . . ?
N9 O21 N9 O20 -121(3) 2_456 . . . ?
N9 O21 N9 O21 57(3) 2_456 . . 2_456 ?

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
N1 H1 O18 0.89 2.18 2.953(16) 144.5 3_554
N1 H2 O22 0.89 2.01 2.89(5) 170.0 .
N2 H3 O24 0.89 2.28 3.01(3) 138.6 .
N2 H4 O18 0.89 2.29 3.030(19) 140.7 3_554
C4 H7 O22 0.96 2.54 3.09(5) 116.9 .
C4 H8 O1 0.96 2.42 3.14(2) 131.3 .
C9 H15 O4 0.96 2.54 3.02(3) 111.2 .
C10 H18 O4 0.96 2.57 3.10(2) 115.1 .
C11 H19 O17 0.97 2.52 3.49(3) 172.6 .
C17 H25 O17 0.93 2.64 3.52(3) 157.8 2
C31 H36 O17 0.93 2.57 3.50(3) 171.2 .
N3 H41 O21 0.89 2.28 2.93(2) 129.7 .
N3 H41 O26 0.89 2.47 3.21(3) 140.4 .
N3 H42 O13 0.89 2.28 3.13(3) 158.8 2_456
N4 H43 O11 0.89 2.19 3.00(4) 149.6 2_456
N4 H44 O21 0.89 1.97 2.84(3) 165.1 2_456
N4 H44 N9 0.89 2.43 3.14(4) 136.5 2_456
C45 H56 O7 0.96 2.35 3.06(3) 129.8 .
C45 H58 O20 0.96 2.25 3.21(4) 176.4 2_456
C60 H71 O14 0.93 2.48 3.26(3) 141.3 3_455
C66 H76 O15 0.93 2.65 3.36(3) 134.2 3_455

_refine_diff_density_max         3.698
_refine_diff_density_min         -3.860
_refine_diff_density_rms         0.253


_exptl_crystal_preparation       'Magnetic properties'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[2](NO3)4
_database_code_depnum_ccdc_archive 'CCDC 1887516'
loop_
_audit_author_name
_audit_author_address
'Nobuto Yoshinari'
;Osaka University
Japan
;
_audit_update_record             
;
2018-12-27 deposited with the CCDC.	2019-02-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_[2](NO3)4           
;
PROBLEM: Check Calcd Positive Resid. Density on       Au3       3.08 eA-3
RESPONSE: This is due to the satellite peak nearby Au atoms (d = 0.9 A).
;
_vrf_PLAT973_[2](NO3)4_2         
;
PROBLEM: Check Calcd Positive Resid. Density on       Au2       2.48 eA-3
RESPONSE: This is due to the satellite peak nearby Au atoms (d = 0.9 A).
;
# Added during the CSD deposition process: Thursday 27 December 2018 10:50 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C70 H88 Au4 Cu2 N4 O12 P4 Pd2 S4, 4(N O3), 4(H2 O)'
_chemical_formula_sum            'C70 H96 Au4 Cu2 N8 O28 P4 Pd2 S4'
_chemical_formula_weight         2877.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 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 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -1.0133 0.9850 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -1.7802 8.6286 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1219 0.1208 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1001 0.0924 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3319 1.2375 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   16.8393(17)
_cell_length_b                   20.715(2)
_cell_length_c                   26.283(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9167.9(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    15560
_cell_measurement_theta_min      1.19
_cell_measurement_theta_max      27.18

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.085
_exptl_crystal_F_000             5544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    7.126
_shelx_estimated_absorpt_T_min   0.536
_shelx_estimated_absorpt_T_max   0.536
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.2464
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7002
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_monochromator  Si(311)
_diffrn_measurement_device_type  'Rigaku Mercury2CCD detector'
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean 14.69
_diffrn_reflns_number            45169
_diffrn_reflns_av_unetI/netI     0.2300
_diffrn_reflns_av_R_equivalents  0.1746
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.233
_diffrn_reflns_theta_max         27.044
_diffrn_reflns_theta_full        24.842
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             20968
_reflns_number_gt                12014
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.848
_reflns_Friedel_fraction_max     0.996
_reflns_Friedel_fraction_full    0.999

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2857 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(10)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         20968
_refine_ls_number_parameters     1107
_refine_ls_number_restraints     408
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0807
_refine_ls_wR_factor_ref         0.1742
_refine_ls_wR_factor_gt          0.1458
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_restrained_S_all      0.919
_refine_ls_shift/su_max          0.074
_refine_ls_shift/su_mean         0.001

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 0.12059(7) 0.59952(4) 0.54231(4) 0.0265(2) Uani 1 1 d . . . . .
Au2 Au 0.12150(8) 0.45453(5) 0.54672(4) 0.0355(3) Uani 1 1 d . . . . .
Pd1 Pd 0.13766(15) 0.51245(10) 0.42253(8) 0.0337(6) Uani 1 1 d . . . . .
S1 S 0.1767(4) 0.6056(3) 0.4616(3) 0.0307(16) Uani 1 1 d . . . . .
S2 S 0.1992(6) 0.4422(3) 0.4751(3) 0.042(2) Uani 1 1 d . . . . .
P1 P 0.0633(4) 0.6068(3) 0.6202(3) 0.0272(16) Uani 1 1 d . . . . .
P2 P 0.0412(5) 0.4626(3) 0.6148(3) 0.0333(18) Uani 1 1 d . . . . .
O1 O 0.1130(13) 0.7240(9) 0.3114(7) 0.041(5) Uani 1 1 d . . . . .
O2 O 0.0029(11) 0.6705(8) 0.3289(6) 0.024(4) Uani 1 1 d . . . . .
N1 N 0.0872(15) 0.5709(9) 0.3683(9) 0.037(7) Uani 1 1 d . . . . .
H1 H 0.0969 0.5540 0.3369 0.044 Uiso 1 1 calc R U . . .
H2 H 0.0337 0.5717 0.3729 0.044 Uiso 1 1 calc R U . . .
N2 N 0.0945(18) 0.4298(10) 0.3875(9) 0.050(8) Uani 1 1 d . . . . .
H3 H 0.0458 0.4394 0.3744 0.059 Uiso 1 1 calc R U . . .
H4 H 0.1269 0.4207 0.3607 0.059 Uiso 1 1 calc R U . . .
C1 C 0.1145(17) 0.6635(11) 0.4259(9) 0.025(5) Uani 1 1 d . U . . .
C2 C 0.1184(17) 0.6385(11) 0.3701(9) 0.024(5) Uani 1 1 d . U . . .
H5 H 0.1755 0.6372 0.3598 0.029 Uiso 1 1 calc R U . . .
O3 O 0.0520(18) 0.2598(11) 0.4089(11) 0.084(10) Uani 1 1 d . . . . .
C3 C 0.0761(19) 0.6811(13) 0.3334(10) 0.032(6) Uani 1 1 d . U . . .
O4 O 0.0764(17) 0.3224(11) 0.3369(9) 0.073(8) Uani 1 1 d . . . . .
C4 C 0.0299(16) 0.6654(12) 0.4445(10) 0.031(6) Uani 1 1 d . U . . .
H6 H -0.0032 0.6881 0.4196 0.046 Uiso 1 1 calc R U . . .
H7 H 0.0276 0.6881 0.4772 0.046 Uiso 1 1 calc R U . . .
H8 H 0.0102 0.6213 0.4489 0.046 Uiso 1 1 calc R U . . .
C5 C 0.1504(16) 0.7302(11) 0.4324(11) 0.032(7) Uani 1 1 d . U . . .
H9 H 0.1165 0.7623 0.4157 0.049 Uiso 1 1 calc R U . . .
H10 H 0.2034 0.7311 0.4169 0.049 Uiso 1 1 calc R U . . .
H11 H 0.1547 0.7404 0.4687 0.049 Uiso 1 1 calc R U . . .
C6 C 0.1637(19) 0.3640(14) 0.4458(13) 0.046(7) Uani 1 1 d . U . . .
C7 C 0.0864(15) 0.3720(14) 0.4170(12) 0.036(7) Uani 1 1 d . U . . .
H12 H 0.0429 0.3787 0.4424 0.043 Uiso 1 1 calc R U . . .
C8 C 0.0689(18) 0.3122(16) 0.3879(14) 0.046(8) Uani 1 1 d . U . . .
C9 C 0.163(2) 0.3098(16) 0.4882(12) 0.063(9) Uani 1 1 d . U . . .
H13 H 0.1520 0.2678 0.4725 0.094 Uiso 1 1 calc R U . . .
H14 H 0.1219 0.3196 0.5134 0.094 Uiso 1 1 calc R U . . .
H15 H 0.2150 0.3084 0.5050 0.094 Uiso 1 1 calc R U . . .
C10 C 0.2333(19) 0.3444(15) 0.4084(14) 0.055(8) Uani 1 1 d . U . . .
H16 H 0.2229 0.3014 0.3944 0.082 Uiso 1 1 calc R U . . .
H17 H 0.2837 0.3439 0.4270 0.082 Uiso 1 1 calc R U . . .
H18 H 0.2365 0.3758 0.3805 0.082 Uiso 1 1 calc R U . . .
C11 C 0.0660(18) 0.5304(13) 0.6538(11) 0.040(8) Uani 1 1 d . U . . .
H19 H 0.1199 0.5240 0.6679 0.048 Uiso 1 1 calc R U . . .
H20 H 0.0284 0.5324 0.6827 0.048 Uiso 1 1 calc R U . . .
C12 C -0.0380(15) 0.6300(12) 0.6203(11) 0.026(5) Uani 1 1 d . U . . .
C13 C -0.0747(16) 0.6417(12) 0.6665(12) 0.031(5) Uani 1 1 d . U . . .
H21 H -0.0458 0.6415 0.6975 0.037 Uiso 1 1 calc R U . . .
C14 C -0.1593(17) 0.6545(13) 0.6652(13) 0.037(5) Uani 1 1 d . U . . .
H22 H -0.1872 0.6609 0.6962 0.044 Uiso 1 1 calc R U . . .
C15 C -0.1978(17) 0.6572(13) 0.6220(12) 0.037(5) Uani 1 1 d . U . . .
H23 H -0.2531 0.6665 0.6226 0.045 Uiso 1 1 calc R U . . .
C16 C -0.1617(17) 0.6472(13) 0.5759(12) 0.035(5) Uani 1 1 d . U . . .
H24 H -0.1917 0.6490 0.5453 0.042 Uiso 1 1 calc R U . . .
C17 C -0.0797(16) 0.6343(12) 0.5743(12) 0.033(5) Uani 1 1 d . U . . .
H25 H -0.0532 0.6286 0.5427 0.040 Uiso 1 1 calc R U . . .
C18 C 0.1118(17) 0.6669(11) 0.6603(9) 0.027(5) Uani 1 1 d . U . . .
C19 C 0.1046(16) 0.7286(11) 0.6474(10) 0.028(6) Uani 1 1 d . U . . .
H26 H 0.0709 0.7403 0.6199 0.033 Uiso 1 1 calc R U . . .
C20 C 0.1456(18) 0.7761(12) 0.6735(12) 0.038(7) Uani 1 1 d . U . . .
H27 H 0.1418 0.8201 0.6636 0.046 Uiso 1 1 calc R U . . .
C21 C 0.1922(17) 0.7578(13) 0.7143(12) 0.040(7) Uani 1 1 d . U . . .
H28 H 0.2213 0.7900 0.7320 0.048 Uiso 1 1 calc R U . . .
C22 C 0.1975(16) 0.6973(14) 0.7294(11) 0.035(6) Uani 1 1 d . U . . .
H29 H 0.2292 0.6861 0.7579 0.042 Uiso 1 1 calc R U . . .
C23 C 0.1563(18) 0.6507(14) 0.7031(11) 0.039(7) Uani 1 1 d . U . . .
H30 H 0.1581 0.6071 0.7142 0.047 Uiso 1 1 calc R U . . .
C24 C 0.042(2) 0.3933(16) 0.6571(13) 0.050(7) Uani 1 1 d . U . . .
C25 C 0.0128(19) 0.3951(15) 0.7051(11) 0.046(7) Uani 1 1 d . U . . .
H31 H -0.0065 0.4351 0.7179 0.056 Uiso 1 1 calc R U . . .
C26 C 0.010(2) 0.3392(15) 0.7375(13) 0.059(8) Uani 1 1 d . U . . .
H32 H -0.0135 0.3400 0.7705 0.071 Uiso 1 1 calc R U . . .
C27 C 0.043(2) 0.2838(16) 0.7163(15) 0.058(8) Uani 1 1 d . U . . .
H33 H 0.0443 0.2456 0.7363 0.070 Uiso 1 1 calc R U . . .
C28 C 0.075(2) 0.2812(15) 0.6689(14) 0.055(8) Uani 1 1 d . U . . .
H34 H 0.0989 0.2425 0.6573 0.066 Uiso 1 1 calc R U . . .
C29 C 0.0718(19) 0.3357(14) 0.6368(14) 0.050(8) Uani 1 1 d . U . . .
H35 H 0.0894 0.3334 0.6025 0.060 Uiso 1 1 calc R U . . .
C30 C -0.0579(16) 0.4770(12) 0.5950(10) 0.028(6) Uani 1 1 d . U . . .
C31 C -0.1171(17) 0.4829(13) 0.6287(12) 0.042(6) Uani 1 1 d . U . . .
H36 H -0.1050 0.4816 0.6640 0.050 Uiso 1 1 calc R U . . .
C32 C -0.1982(18) 0.4912(14) 0.6133(12) 0.045(7) Uani 1 1 d . U . . .
H37 H -0.2383 0.4975 0.6382 0.054 Uiso 1 1 calc R U . . .
C33 C -0.2184(19) 0.4899(14) 0.5616(12) 0.048(7) Uani 1 1 d . U . . .
H38 H -0.2716 0.4963 0.5508 0.057 Uiso 1 1 calc R U . . .
C34 C -0.1580(18) 0.4791(14) 0.5267(13) 0.044(7) Uani 1 1 d . U . . .
H39 H -0.1701 0.4750 0.4915 0.053 Uiso 1 1 calc R U . . .
C35 C -0.0779(19) 0.4741(12) 0.5435(11) 0.038(6) Uani 1 1 d . U . . .
H40 H -0.0370 0.4687 0.5190 0.046 Uiso 1 1 calc R U . . .
Au3 Au 0.12900(8) 0.46597(4) -0.00234(4) 0.0282(3) Uani 1 1 d . . . . .
Au4 Au 0.11044(7) 0.60672(5) 0.02087(4) 0.0263(3) Uani 1 1 d . . . . .
Pd2 Pd 0.13244(13) 0.50657(9) 0.12238(7) 0.0226(4) Uani 1 1 d . . . . .
S3 S 0.1932(4) 0.4335(3) 0.0714(2) 0.0222(15) Uani 1 1 d . . . . .
S4 S 0.1936(4) 0.5960(3) 0.0909(2) 0.0256(15) Uani 1 1 d . . . . .
P3 P 0.0656(4) 0.4824(3) -0.0765(3) 0.0279(17) Uani 1 1 d . . . . .
P4 P 0.0439(5) 0.6239(3) -0.0526(2) 0.0258(16) Uani 1 1 d . . . . .
O5 O 0.0126(12) 0.3229(8) 0.1861(8) 0.040(5) Uani 1 1 d . . . . .
O6 O 0.1188(11) 0.2617(7) 0.1824(6) 0.024(4) Uani 1 1 d . . . . .
O7 O 0.0724(13) 0.7316(9) 0.2092(7) 0.042(5) Uani 1 1 d . . . . .
O8 O -0.0078(11) 0.6491(9) 0.2266(7) 0.037(5) Uani 1 1 d . . . . .
N3 N 0.0837(14) 0.4274(9) 0.1563(9) 0.032(6) Uani 1 1 d . . . . .
H41 H 0.0795 0.4352 0.1903 0.039 Uiso 1 1 calc R U . . .
H42 H 0.0336 0.4219 0.1440 0.039 Uiso 1 1 calc R U . . .
N4 N 0.0745(14) 0.5699(9) 0.1700(9) 0.032(6) Uani 1 1 d . . . . .
H43 H 0.0224 0.5583 0.1713 0.038 Uiso 1 1 calc R U . . .
H44 H 0.0948 0.5651 0.2018 0.038 Uiso 1 1 calc R U . . .
C36 C 0.1425(15) 0.3589(11) 0.0919(9) 0.021(4) Uani 1 1 d . U . . .
C37 C 0.1271(17) 0.3681(10) 0.1491(8) 0.021(4) Uani 1 1 d . U . . .
H45 H 0.1799 0.3734 0.1661 0.026 Uiso 1 1 calc R U . . .
C38 C 0.0828(17) 0.3132(12) 0.1768(10) 0.025(5) Uani 1 1 d . U . . .
C39 C 0.0653(15) 0.3454(11) 0.0614(9) 0.024(5) Uani 1 1 d . U . . .
H46 H 0.0790 0.3307 0.0271 0.036 Uiso 1 1 calc R U . . .
H47 H 0.0338 0.3851 0.0592 0.036 Uiso 1 1 calc R U . . .
H48 H 0.0343 0.3120 0.0788 0.036 Uiso 1 1 calc R U . . .
C40 C 0.2003(15) 0.3019(11) 0.0824(10) 0.027(5) Uani 1 1 d . U . . .
H49 H 0.2518 0.3114 0.0982 0.041 Uiso 1 1 calc R U . . .
H50 H 0.2075 0.2958 0.0457 0.041 Uiso 1 1 calc R U . . .
H51 H 0.1783 0.2624 0.0974 0.041 Uiso 1 1 calc R U . . .
C41 C 0.1596(17) 0.6572(12) 0.1392(10) 0.029(4) Uani 1 1 d . U . . .
C42 C 0.0788(17) 0.6398(12) 0.1560(10) 0.026(4) Uani 1 1 d . U . . .
H52 H 0.0421 0.6470 0.1266 0.032 Uiso 1 1 calc R U . . .
C43 C 0.0447(17) 0.6759(12) 0.2017(10) 0.027(4) Uani 1 1 d . U . . .
C44 C 0.1678(16) 0.7200(11) 0.1139(10) 0.030(4) Uani 1 1 d . U . . .
H53 H 0.1242 0.7257 0.0896 0.045 Uiso 1 1 calc R U . . .
H54 H 0.2186 0.7217 0.0958 0.045 Uiso 1 1 calc R U . . .
H55 H 0.1659 0.7545 0.1394 0.045 Uiso 1 1 calc R U . . .
C45 C 0.2181(17) 0.6498(13) 0.1812(10) 0.033(4) Uani 1 1 d . U . . .
H56 H 0.2107 0.6846 0.2060 0.049 Uiso 1 1 calc R U . . .
H57 H 0.2720 0.6518 0.1673 0.049 Uiso 1 1 calc R U . . .
H58 H 0.2100 0.6080 0.1980 0.049 Uiso 1 1 calc R U . . .
C46 C 0.0752(17) 0.5651(11) -0.1024(12) 0.034(7) Uani 1 1 d . . . . .
H59 H 0.0412 0.5699 -0.1329 0.041 Uiso 1 1 calc R U . . .
H60 H 0.1309 0.5734 -0.1124 0.041 Uiso 1 1 calc R U . . .
C47 C -0.0384(17) 0.4614(13) -0.0780(13) 0.038(7) Uani 1 1 d . U . . .
C48 C -0.074(2) 0.4480(14) -0.0326(14) 0.048(7) Uani 1 1 d . U . . .
H61 H -0.0437 0.4478 -0.0020 0.058 Uiso 1 1 calc R U . . .
C49 C -0.154(2) 0.4349(16) -0.0324(18) 0.071(9) Uani 1 1 d . U . . .
H62 H -0.1806 0.4264 -0.0012 0.085 Uiso 1 1 calc R U . . .
C50 C -0.198(2) 0.4341(15) -0.0799(18) 0.065(9) Uani 1 1 d . U . . .
H63 H -0.2531 0.4259 -0.0806 0.078 Uiso 1 1 calc R U . . .
C51 C -0.157(2) 0.4454(16) -0.1235(18) 0.065(9) Uani 1 1 d . U . . .
H64 H -0.1843 0.4423 -0.1549 0.078 Uiso 1 1 calc R U . . .
C52 C -0.0787(18) 0.4609(14) -0.1247(14) 0.047(7) Uani 1 1 d . U . . .
H65 H -0.0525 0.4709 -0.1557 0.056 Uiso 1 1 calc R U . . .
C53 C 0.1117(18) 0.4349(14) -0.1252(9) 0.036(6) Uani 1 1 d . U . . .
C54 C 0.108(2) 0.3670(15) -0.1134(12) 0.057(8) Uani 1 1 d . U . . .
H66 H 0.0811 0.3519 -0.0842 0.069 Uiso 1 1 calc R U . . .
C55 C 0.146(2) 0.3254(16) -0.1452(14) 0.067(9) Uani 1 1 d . U . . .
H67 H 0.1484 0.2811 -0.1360 0.080 Uiso 1 1 calc R U . . .
C56 C 0.179(2) 0.3446(17) -0.1896(15) 0.064(9) Uani 1 1 d . U . . .
H68 H 0.2034 0.3140 -0.2114 0.077 Uiso 1 1 calc R U . . .
C57 C 0.176(2) 0.4100(17) -0.2029(15) 0.068(9) Uani 1 1 d . U . . .
H69 H 0.2001 0.4240 -0.2338 0.082 Uiso 1 1 calc R U . . .
C58 C 0.138(2) 0.4560(16) -0.1707(12) 0.053(8) Uani 1 1 d . U . . .
H70 H 0.1316 0.4997 -0.1808 0.064 Uiso 1 1 calc R U . . .
C59 C 0.0762(16) 0.6997(12) -0.0794(12) 0.034(5) Uani 1 1 d . U . . .
C60 C 0.0956(17) 0.7084(14) -0.1309(12) 0.042(5) Uani 1 1 d . U . . .
H71 H 0.0873 0.6748 -0.1550 0.050 Uiso 1 1 calc R U . . .
C61 C 0.126(2) 0.7660(13) -0.1454(14) 0.051(6) Uani 1 1 d . U . . .
H72 H 0.1392 0.7731 -0.1801 0.061 Uiso 1 1 calc R U . . .
C62 C 0.139(2) 0.8135(15) -0.1111(14) 0.054(6) Uani 1 1 d . U . . .
H73 H 0.1641 0.8523 -0.1220 0.065 Uiso 1 1 calc R U . . .
C63 C 0.118(2) 0.8076(14) -0.0633(13) 0.052(6) Uani 1 1 d . U . . .
H74 H 0.1247 0.8427 -0.0405 0.062 Uiso 1 1 calc R U . . .
C64 C 0.0846(18) 0.7473(13) -0.0452(15) 0.049(6) Uani 1 1 d . U . . .
H75 H 0.0693 0.7417 -0.0106 0.059 Uiso 1 1 calc R U . . .
C65 C -0.0633(18) 0.6271(13) -0.0500(10) 0.033(6) Uani 1 1 d . U . . .
C66 C -0.110(2) 0.6267(12) -0.0920(11) 0.040(6) Uani 1 1 d . U . . .
H76 H -0.0851 0.6227 -0.1244 0.048 Uiso 1 1 calc R U . . .
C67 C -0.1884(19) 0.6317(12) -0.0894(13) 0.039(7) Uani 1 1 d . U . . .
H77 H -0.2194 0.6313 -0.1196 0.047 Uiso 1 1 calc R U . . .
C68 C -0.225(2) 0.6375(13) -0.0421(13) 0.045(7) Uani 1 1 d . U . . .
H78 H -0.2809 0.6423 -0.0401 0.054 Uiso 1 1 calc R U . . .
C69 C -0.182(2) 0.6365(14) 0.0000(13) 0.050(7) Uani 1 1 d . U . . .
H79 H -0.2088 0.6400 0.0318 0.060 Uiso 1 1 calc R U . . .
C70 C -0.101(2) 0.6305(14) -0.0004(12) 0.050(7) Uani 1 1 d . U . . .
H80 H -0.0710 0.6288 0.0301 0.060 Uiso 1 1 calc R U . . .
Cu1 Cu 0.0758(2) 0.79069(16) 0.26604(13) 0.0379(10) Uani 1 1 d . . . . .
Cu2 Cu -0.07195(19) 0.69661(15) 0.27553(13) 0.0266(7) Uani 1 1 d . . . . .
O9 O 0.1484(12) 0.8568(9) 0.2989(8) 0.047(6) Uani 1 1 d . . . . .
O10 O 0.0496(16) 0.8568(10) 0.2172(8) 0.072(8) Uani 1 1 d . . . . .
O11 O -0.1486(13) 0.6183(9) 0.2989(8) 0.049(6) Uani 1 1 d . . . . .
O12 O -0.1381(12) 0.7281(9) 0.2178(7) 0.044(5) Uani 1 1 d . . . . .
O13 O 0.1382(16) 0.5278(12) 0.2697(8) 0.069(7) Uani 1 1 d . . . . .
O14 O 0.2272(16) 0.4795(12) 0.2237(9) 0.076(8) Uani 1 1 d . . . . .
O15 O 0.207(2) 0.4451(14) 0.2994(11) 0.104(12) Uani 1 1 d . . . . .
N5 N 0.190(2) 0.4807(17) 0.2640(12) 0.071(10) Uani 1 1 d . U . . .
O16 O -0.0641(17) 0.5172(15) 0.3482(12) 0.106(12) Uani 1 1 d . . . . .
O17 O -0.0834(19) 0.4455(15) 0.4052(14) 0.122(14) Uani 1 1 d . . . . .
O18 O -0.176(2) 0.4717(16) 0.3568(12) 0.106(11) Uani 1 1 d . . . . .
N6 N -0.1095(18) 0.4789(15) 0.3714(13) 0.063(8) Uani 1 1 d . U . . .
O19 O -0.0902(12) 0.4321(11) 0.1187(10) 0.059(7) Uani 1 1 d . . . . .
O20 O -0.1013(17) 0.5219(14) 0.1608(11) 0.096(10) Uani 1 1 d . . . . .
O21 O -0.0735(16) 0.5245(12) 0.0824(11) 0.079(8) Uani 1 1 d . . . . .
N7 N -0.0898(14) 0.4932(15) 0.1194(11) 0.047(8) Uani 1 1 d . . . . .
O22 O -0.118(2) 0.6116(12) 0.7850(8) 0.082(9) Uani 1 1 d . . . . .
O23 O -0.0908(16) 0.5182(14) 0.7558(9) 0.076(8) Uani 1 1 d . . . . .
O24 O 0.001(2) 0.579(2) 0.7842(11) 0.132(16) Uani 1 1 d . . . . .
N8 N -0.067(2) 0.5694(15) 0.7747(11) 0.061(9) Uani 1 1 d . . . . .
O25 O 0.1401(15) 0.1565(11) 0.3679(9) 0.070(8) Uani 1 1 d . . . . .
O26 O -0.2304(15) 0.4332(15) 0.2630(14) 0.124(14) Uani 1 1 d . . . . .
O27 O -0.0285(13) 0.4731(10) 0.2439(8) 0.052(6) Uani 1 1 d . . . . .
O28 O -0.256(2) 0.5721(14) 0.2309(13) 0.126(13) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.267(7) . ?
Au1 S1 2.325(7) . ?
Au1 Au2 3.0057(13) . ?
Au2 P2 2.249(8) . ?
Au2 S2 2.306(9) . ?
Pd1 N1 2.05(2) . ?
Pd1 N2 2.08(2) . ?
Pd1 S2 2.259(8) . ?
Pd1 S1 2.282(7) . ?
S1 C1 1.85(2) . ?
S2 C6 1.89(3) . ?
P1 C12 1.77(3) . ?
P1 C11 1.81(3) . ?
P1 C18 1.82(3) . ?
P2 C30 1.77(3) . ?
P2 C11 1.79(3) . ?
P2 C24 1.82(3) . ?
O1 C3 1.23(3) . ?
O1 Cu1 1.930(18) . ?
O2 C3 1.26(3) . ?
O2 Cu2 1.961(17) . ?
N1 C2 1.50(3) . ?
N1 H1 0.9100 . ?
N1 H2 0.9100 . ?
N2 C7 1.43(3) . ?
N2 H3 0.9100 . ?
N2 H4 0.9100 . ?
C1 C4 1.51(4) . ?
C1 C5 1.52(3) . ?
C1 C2 1.56(3) . ?
C2 C3 1.49(4) . ?
C2 H5 1.0000 . ?
O3 C8 1.25(4) . ?
O4 C8 1.36(4) . ?
C4 H6 0.9800 . ?
C4 H7 0.9800 . ?
C4 H8 0.9800 . ?
C5 H9 0.9800 . ?
C5 H10 0.9800 . ?
C5 H11 0.9800 . ?
C6 C7 1.51(4) . ?
C6 C9 1.58(4) . ?
C6 C10 1.58(4) . ?
C7 C8 1.49(4) . ?
C7 H12 1.0000 . ?
C9 H13 0.9800 . ?
C9 H14 0.9800 . ?
C9 H15 0.9800 . ?
C10 H16 0.9800 . ?
C10 H17 0.9800 . ?
C10 H18 0.9800 . ?
C11 H19 0.9900 . ?
C11 H20 0.9900 . ?
C12 C13 1.38(4) . ?
C12 C17 1.40(4) . ?
C13 C14 1.45(4) . ?
C13 H21 0.9500 . ?
C14 C15 1.31(4) . ?
C14 H22 0.9500 . ?
C15 C16 1.37(4) . ?
C15 H23 0.9500 . ?
C16 C17 1.41(4) . ?
C16 H24 0.9500 . ?
C17 H25 0.9500 . ?
C18 C19 1.33(3) . ?
C18 C23 1.39(4) . ?
C19 C20 1.38(3) . ?
C19 H26 0.9500 . ?
C20 C21 1.38(4) . ?
C20 H27 0.9500 . ?
C21 C22 1.32(4) . ?
C21 H28 0.9500 . ?
C22 C23 1.38(3) . ?
C22 H29 0.9500 . ?
C23 H30 0.9500 . ?
C24 C25 1.36(4) . ?
C24 C29 1.40(4) . ?
C25 C26 1.44(4) . ?
C25 H31 0.9500 . ?
C26 C27 1.40(5) . ?
C26 H32 0.9500 . ?
C27 C28 1.35(5) . ?
C27 H33 0.9500 . ?
C28 C29 1.41(4) . ?
C28 H34 0.9500 . ?
C29 H35 0.9500 . ?
C30 C31 1.34(4) . ?
C30 C35 1.39(4) . ?
C31 C32 1.44(4) . ?
C31 H36 0.9500 . ?
C32 C33 1.40(4) . ?
C32 H37 0.9500 . ?
C33 C34 1.39(4) . ?
C33 H38 0.9500 . ?
C34 C35 1.42(4) . ?
C34 H39 0.9500 . ?
C35 H40 0.9500 . ?
Au3 P3 2.248(7) . ?
Au3 S3 2.320(7) . ?
Au3 Au4 2.9952(13) . ?
Au4 P4 2.260(7) . ?
Au4 S4 2.322(7) . ?
Pd2 N3 2.039(19) . ?
Pd2 N4 2.06(2) . ?
Pd2 S3 2.265(7) . ?
Pd2 S4 2.276(7) . ?
S3 C36 1.84(2) . ?
S4 C41 1.88(3) . ?
P3 C53 1.79(3) . ?
P3 C47 1.80(3) . ?
P3 C46 1.85(3) . ?
P4 C59 1.81(2) . ?
P4 C65 1.81(3) . ?
P4 C46 1.86(3) . ?
O5 C38 1.22(3) . ?
O5 Cu1 2.06(2) 4_545 ?
O6 C38 1.24(3) . ?
O6 Cu2 1.914(15) 4_545 ?
O7 C43 1.26(3) . ?
O7 Cu1 1.933(18) . ?
O8 C43 1.23(3) . ?
O8 Cu2 1.946(18) . ?
N3 C37 1.44(3) . ?
N3 H41 0.9100 . ?
N3 H42 0.9100 . ?
N4 C42 1.50(3) . ?
N4 H43 0.9100 . ?
N4 H44 0.9100 . ?
C36 C37 1.54(3) . ?
C36 C40 1.55(3) . ?
C36 C39 1.55(3) . ?
C37 C38 1.54(3) . ?
C37 H45 1.0000 . ?
C39 H46 0.9800 . ?
C39 H47 0.9800 . ?
C39 H48 0.9800 . ?
C40 H49 0.9800 . ?
C40 H50 0.9800 . ?
C40 H51 0.9800 . ?
C41 C44 1.47(3) . ?
C41 C42 1.47(4) . ?
C41 C45 1.49(4) . ?
C42 C43 1.53(3) . ?
C42 H52 1.0000 . ?
C44 H53 0.9800 . ?
C44 H54 0.9800 . ?
C44 H55 0.9800 . ?
C45 H56 0.9800 . ?
C45 H57 0.9800 . ?
C45 H58 0.9800 . ?
C46 H59 0.9900 . ?
C46 H60 0.9900 . ?
C47 C48 1.36(4) . ?
C47 C52 1.40(4) . ?
C48 C49 1.38(5) . ?
C48 H61 0.9500 . ?
C49 C50 1.45(6) . ?
C49 H62 0.9500 . ?
C50 C51 1.36(5) . ?
C50 H63 0.9500 . ?
C51 C52 1.35(4) . ?
C51 H64 0.9500 . ?
C52 H65 0.9500 . ?
C53 C58 1.35(4) . ?
C53 C54 1.44(4) . ?
C54 C55 1.35(4) . ?
C54 H66 0.9500 . ?
C55 C56 1.35(5) . ?
C55 H67 0.9500 . ?
C56 C57 1.40(5) . ?
C56 H68 0.9500 . ?
C57 C58 1.43(4) . ?
C57 H69 0.9500 . ?
C58 H70 0.9500 . ?
C59 C64 1.34(4) . ?
C59 C60 1.40(4) . ?
C60 C61 1.36(4) . ?
C60 H71 0.9500 . ?
C61 C62 1.35(4) . ?
C61 H72 0.9500 . ?
C62 C63 1.31(5) . ?
C62 H73 0.9500 . ?
C63 C64 1.45(4) . ?
C63 H74 0.9500 . ?
C64 H75 0.9500 . ?
C65 C66 1.35(4) . ?
C65 C70 1.45(4) . ?
C66 C67 1.33(4) . ?
C66 H76 0.9500 . ?
C67 C68 1.39(4) . ?
C67 H77 0.9500 . ?
C68 C69 1.32(4) . ?
C68 H78 0.9500 . ?
C69 C70 1.38(5) . ?
C69 H79 0.9500 . ?
C70 H80 0.9500 . ?
Cu1 O10 1.93(2) . ?
Cu1 O9 2.03(2) . ?
Cu1 O5 2.06(2) 4 ?
Cu2 O6 1.914(15) 4 ?
Cu2 O12 1.991(19) . ?
Cu2 O11 2.162(19) . ?
O13 N5 1.32(4) . ?
O14 N5 1.23(4) . ?
O15 N5 1.22(4) . ?
O16 N6 1.26(4) . ?
O17 N6 1.21(4) . ?
O18 N6 1.20(4) . ?
O19 N7 1.27(3) . ?
O20 N7 1.25(3) . ?
O21 N7 1.20(3) . ?
O22 N8 1.25(4) . ?
O23 N8 1.24(4) . ?
O24 N8 1.19(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 173.0(3) . . ?
P1 Au1 Au2 91.93(18) . . ?
S1 Au1 Au2 94.98(18) . . ?
P2 Au2 S2 176.9(3) . . ?
P2 Au2 Au1 87.34(18) . . ?
S2 Au2 Au1 94.72(19) . . ?
N1 Pd1 N2 91.9(9) . . ?
N1 Pd1 S2 173.8(7) . . ?
N2 Pd1 S2 84.3(7) . . ?
N1 Pd1 S1 86.2(6) . . ?
N2 Pd1 S1 176.2(9) . . ?
S2 Pd1 S1 97.9(3) . . ?
C1 S1 Pd1 99.0(8) . . ?
C1 S1 Au1 105.5(9) . . ?
Pd1 S1 Au1 104.4(3) . . ?
C6 S2 Pd1 99.0(11) . . ?
C6 S2 Au2 104.4(11) . . ?
Pd1 S2 Au2 99.6(3) . . ?
C12 P1 C11 105.0(13) . . ?
C12 P1 C18 104.2(13) . . ?
C11 P1 C18 107.6(12) . . ?
C12 P1 Au1 115.5(10) . . ?
C11 P1 Au1 111.8(10) . . ?
C18 P1 Au1 112.1(9) . . ?
C30 P2 C11 104.8(13) . . ?
C30 P2 C24 108.8(14) . . ?
C11 P2 C24 105.6(15) . . ?
C30 P2 Au2 110.2(10) . . ?
C11 P2 Au2 111.9(11) . . ?
C24 P2 Au2 115.0(12) . . ?
C3 O1 Cu1 130(2) . . ?
C3 O2 Cu2 130.5(17) . . ?
C2 N1 Pd1 112.7(17) . . ?
C2 N1 H1 109.1 . . ?
Pd1 N1 H1 109.1 . . ?
C2 N1 H2 109.1 . . ?
Pd1 N1 H2 109.1 . . ?
H1 N1 H2 107.8 . . ?
C7 N2 Pd1 118.8(17) . . ?
C7 N2 H3 107.6 . . ?
Pd1 N2 H3 107.6 . . ?
C7 N2 H4 107.6 . . ?
Pd1 N2 H4 107.6 . . ?
H3 N2 H4 107.1 . . ?
C4 C1 C5 108(2) . . ?
C4 C1 C2 111(2) . . ?
C5 C1 C2 113(2) . . ?
C4 C1 S1 112.8(18) . . ?
C5 C1 S1 107.9(18) . . ?
C2 C1 S1 103.8(16) . . ?
C3 C2 N1 112(2) . . ?
C3 C2 C1 113(2) . . ?
N1 C2 C1 109.0(19) . . ?
C3 C2 H5 107.6 . . ?
N1 C2 H5 107.6 . . ?
C1 C2 H5 107.6 . . ?
O1 C3 O2 125(3) . . ?
O1 C3 C2 119(3) . . ?
O2 C3 C2 115(2) . . ?
C1 C4 H6 109.5 . . ?
C1 C4 H7 109.5 . . ?
H6 C4 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
H6 C4 H8 109.5 . . ?
H7 C4 H8 109.5 . . ?
C1 C5 H9 109.5 . . ?
C1 C5 H10 109.5 . . ?
H9 C5 H10 109.5 . . ?
C1 C5 H11 109.5 . . ?
H9 C5 H11 109.5 . . ?
H10 C5 H11 109.5 . . ?
C7 C6 C9 115(3) . . ?
C7 C6 C10 111(3) . . ?
C9 C6 C10 105(3) . . ?
C7 C6 S2 112(2) . . ?
C9 C6 S2 109(2) . . ?
C10 C6 S2 104(2) . . ?
N2 C7 C8 116(3) . . ?
N2 C7 C6 106(2) . . ?
C8 C7 C6 110(2) . . ?
N2 C7 H12 108.3 . . ?
C8 C7 H12 108.3 . . ?
C6 C7 H12 108.3 . . ?
O3 C8 O4 126(3) . . ?
O3 C8 C7 123(3) . . ?
O4 C8 C7 111(3) . . ?
C6 C9 H13 109.5 . . ?
C6 C9 H14 109.5 . . ?
H13 C9 H14 109.5 . . ?
C6 C9 H15 109.5 . . ?
H13 C9 H15 109.5 . . ?
H14 C9 H15 109.5 . . ?
C6 C10 H16 109.5 . . ?
C6 C10 H17 109.5 . . ?
H16 C10 H17 109.5 . . ?
C6 C10 H18 109.5 . . ?
H16 C10 H18 109.5 . . ?
H17 C10 H18 109.5 . . ?
P2 C11 P1 113.6(15) . . ?
P2 C11 H19 108.8 . . ?
P1 C11 H19 108.8 . . ?
P2 C11 H20 108.8 . . ?
P1 C11 H20 108.8 . . ?
H19 C11 H20 107.7 . . ?
C13 C12 C17 121(3) . . ?
C13 C12 P1 119(2) . . ?
C17 C12 P1 120(2) . . ?
C12 C13 C14 117(3) . . ?
C12 C13 H21 121.6 . . ?
C14 C13 H21 121.6 . . ?
C15 C14 C13 121(3) . . ?
C15 C14 H22 119.5 . . ?
C13 C14 H22 119.5 . . ?
C14 C15 C16 123(3) . . ?
C14 C15 H23 118.7 . . ?
C16 C15 H23 118.7 . . ?
C15 C16 C17 119(3) . . ?
C15 C16 H24 120.3 . . ?
C17 C16 H24 120.3 . . ?
C12 C17 C16 119(3) . . ?
C12 C17 H25 120.7 . . ?
C16 C17 H25 120.7 . . ?
C19 C18 C23 119(3) . . ?
C19 C18 P1 118(2) . . ?
C23 C18 P1 122.9(19) . . ?
C18 C19 C20 121(3) . . ?
C18 C19 H26 119.6 . . ?
C20 C19 H26 119.6 . . ?
C21 C20 C19 118(3) . . ?
C21 C20 H27 120.8 . . ?
C19 C20 H27 120.8 . . ?
C22 C21 C20 122(3) . . ?
C22 C21 H28 118.9 . . ?
C20 C21 H28 118.9 . . ?
C21 C22 C23 119(3) . . ?
C21 C22 H29 120.6 . . ?
C23 C22 H29 120.6 . . ?
C22 C23 C18 121(3) . . ?
C22 C23 H30 119.7 . . ?
C18 C23 H30 119.7 . . ?
C25 C24 C29 121(3) . . ?
C25 C24 P2 123(3) . . ?
C29 C24 P2 116(3) . . ?
C24 C25 C26 123(3) . . ?
C24 C25 H31 118.6 . . ?
C26 C25 H31 118.6 . . ?
C27 C26 C25 114(3) . . ?
C27 C26 H32 122.9 . . ?
C25 C26 H32 122.9 . . ?
C28 C27 C26 124(3) . . ?
C28 C27 H33 118.0 . . ?
C26 C27 H33 118.0 . . ?
C27 C28 C29 120(4) . . ?
C27 C28 H34 119.8 . . ?
C29 C28 H34 119.8 . . ?
C24 C29 C28 118(3) . . ?
C24 C29 H35 121.1 . . ?
C28 C29 H35 121.1 . . ?
C31 C30 C35 118(3) . . ?
C31 C30 P2 121(2) . . ?
C35 C30 P2 120(2) . . ?
C30 C31 C32 122(3) . . ?
C30 C31 H36 118.9 . . ?
C32 C31 H36 118.9 . . ?
C33 C32 C31 120(3) . . ?
C33 C32 H37 119.9 . . ?
C31 C32 H37 119.9 . . ?
C34 C33 C32 118(3) . . ?
C34 C33 H38 121.1 . . ?
C32 C33 H38 121.1 . . ?
C33 C34 C35 120(3) . . ?
C33 C34 H39 120.0 . . ?
C35 C34 H39 120.0 . . ?
C30 C35 C34 122(3) . . ?
C30 C35 H40 119.1 . . ?
C34 C35 H40 119.1 . . ?
P3 Au3 S3 171.9(2) . . ?
P3 Au3 Au4 88.81(18) . . ?
S3 Au3 Au4 99.25(16) . . ?
P4 Au4 S4 172.1(3) . . ?
P4 Au4 Au3 91.76(17) . . ?
S4 Au4 Au3 90.33(16) . . ?
N3 Pd2 N4 93.2(9) . . ?
N3 Pd2 S3 84.4(6) . . ?
N4 Pd2 S3 177.6(6) . . ?
N3 Pd2 S4 174.9(7) . . ?
N4 Pd2 S4 85.2(6) . . ?
S3 Pd2 S4 97.2(2) . . ?
C36 S3 Pd2 100.3(8) . . ?
C36 S3 Au3 105.7(8) . . ?
Pd2 S3 Au3 95.1(2) . . ?
C41 S4 Pd2 99.5(9) . . ?
C41 S4 Au4 106.7(9) . . ?
Pd2 S4 Au4 95.3(3) . . ?
C53 P3 C47 105.8(14) . . ?
C53 P3 C46 102.0(13) . . ?
C47 P3 C46 107.4(13) . . ?
C53 P3 Au3 109.3(9) . . ?
C47 P3 Au3 116.3(11) . . ?
C46 P3 Au3 114.7(9) . . ?
C59 P4 C65 106.5(13) . . ?
C59 P4 C46 102.0(14) . . ?
C65 P4 C46 109.4(13) . . ?
C59 P4 Au4 108.7(10) . . ?
C65 P4 Au4 118.0(9) . . ?
C46 P4 Au4 110.9(9) . . ?
C38 O5 Cu1 140.1(18) . 4_545 ?
C38 O6 Cu2 118.4(17) . 4_545 ?
C43 O7 Cu1 135.3(18) . . ?
C43 O8 Cu2 121.4(17) . . ?
C37 N3 Pd2 115.1(16) . . ?
C37 N3 H41 108.5 . . ?
Pd2 N3 H41 108.5 . . ?
C37 N3 H42 108.5 . . ?
Pd2 N3 H42 108.5 . . ?
H41 N3 H42 107.5 . . ?
C42 N4 Pd2 116.4(16) . . ?
C42 N4 H43 108.2 . . ?
Pd2 N4 H43 108.2 . . ?
C42 N4 H44 108.2 . . ?
Pd2 N4 H44 108.2 . . ?
H43 N4 H44 107.3 . . ?
C37 C36 C40 111(2) . . ?
C37 C36 C39 113(2) . . ?
C40 C36 C39 107.9(19) . . ?
C37 C36 S3 105.0(16) . . ?
C40 C36 S3 107.5(17) . . ?
C39 C36 S3 112.8(17) . . ?
N3 C37 C36 109(2) . . ?
N3 C37 C38 109(2) . . ?
C36 C37 C38 117(2) . . ?
N3 C37 H45 107.5 . . ?
C36 C37 H45 107.4 . . ?
C38 C37 H45 107.4 . . ?
O5 C38 O6 126(2) . . ?
O5 C38 C37 116(2) . . ?
O6 C38 C37 117(2) . . ?
C36 C39 H46 109.5 . . ?
C36 C39 H47 109.5 . . ?
H46 C39 H47 109.5 . . ?
C36 C39 H48 109.5 . . ?
H46 C39 H48 109.5 . . ?
H47 C39 H48 109.5 . . ?
C36 C40 H49 109.5 . . ?
C36 C40 H50 109.5 . . ?
H49 C40 H50 109.5 . . ?
C36 C40 H51 109.5 . . ?
H49 C40 H51 109.5 . . ?
H50 C40 H51 109.5 . . ?
C44 C41 C42 116(2) . . ?
C44 C41 C45 112(2) . . ?
C42 C41 C45 111(2) . . ?
C44 C41 S4 105.2(17) . . ?
C42 C41 S4 108.5(19) . . ?
C45 C41 S4 103.3(18) . . ?
C41 C42 N4 111(2) . . ?
C41 C42 C43 118(2) . . ?
N4 C42 C43 105(2) . . ?
C41 C42 H52 107.6 . . ?
N4 C42 H52 107.6 . . ?
C43 C42 H52 107.6 . . ?
O8 C43 O7 127(2) . . ?
O8 C43 C42 118(2) . . ?
O7 C43 C42 116(2) . . ?
C41 C44 H53 109.5 . . ?
C41 C44 H54 109.5 . . ?
H53 C44 H54 109.5 . . ?
C41 C44 H55 109.5 . . ?
H53 C44 H55 109.5 . . ?
H54 C44 H55 109.5 . . ?
C41 C45 H56 109.5 . . ?
C41 C45 H57 109.5 . . ?
H56 C45 H57 109.5 . . ?
C41 C45 H58 109.5 . . ?
H56 C45 H58 109.5 . . ?
H57 C45 H58 109.5 . . ?
P3 C46 P4 108.8(16) . . ?
P3 C46 H59 109.9 . . ?
P4 C46 H59 109.9 . . ?
P3 C46 H60 109.9 . . ?
P4 C46 H60 109.9 . . ?
H59 C46 H60 108.3 . . ?
C48 C47 C52 124(3) . . ?
C48 C47 P3 117(3) . . ?
C52 C47 P3 119(3) . . ?
C47 C48 C49 118(4) . . ?
C47 C48 H61 120.9 . . ?
C49 C48 H61 120.9 . . ?
C48 C49 C50 120(4) . . ?
C48 C49 H62 120.2 . . ?
C50 C49 H62 120.2 . . ?
C51 C50 C49 118(4) . . ?
C51 C50 H63 121.0 . . ?
C49 C50 H63 121.0 . . ?
C52 C51 C50 124(4) . . ?
C52 C51 H64 118.2 . . ?
C50 C51 H64 118.2 . . ?
C51 C52 C47 117(4) . . ?
C51 C52 H65 121.6 . . ?
C47 C52 H65 121.6 . . ?
C58 C53 C54 121(3) . . ?
C58 C53 P3 127(2) . . ?
C54 C53 P3 111(2) . . ?
C55 C54 C53 118(3) . . ?
C55 C54 H66 120.9 . . ?
C53 C54 H66 120.9 . . ?
C54 C55 C56 122(3) . . ?
C54 C55 H67 118.8 . . ?
C56 C55 H67 118.8 . . ?
C55 C56 C57 119(4) . . ?
C55 C56 H68 120.4 . . ?
C57 C56 H68 120.4 . . ?
C56 C57 C58 121(4) . . ?
C56 C57 H69 119.7 . . ?
C58 C57 H69 119.7 . . ?
C53 C58 C57 117(3) . . ?
C53 C58 H70 121.3 . . ?
C57 C58 H70 121.3 . . ?
C64 C59 C60 122(3) . . ?
C64 C59 P4 114(2) . . ?
C60 C59 P4 124(2) . . ?
C61 C60 C59 118(3) . . ?
C61 C60 H71 120.9 . . ?
C59 C60 H71 120.9 . . ?
C62 C61 C60 121(3) . . ?
C62 C61 H72 119.5 . . ?
C60 C61 H72 119.5 . . ?
C63 C62 C61 122(3) . . ?
C63 C62 H73 119.1 . . ?
C61 C62 H73 119.1 . . ?
C62 C63 C64 120(3) . . ?
C62 C63 H74 120.0 . . ?
C64 C63 H74 120.0 . . ?
C59 C64 C63 117(3) . . ?
C59 C64 H75 121.6 . . ?
C63 C64 H75 121.6 . . ?
C66 C65 C70 119(3) . . ?
C66 C65 P4 123(2) . . ?
C70 C65 P4 118(2) . . ?
C67 C66 C65 122(3) . . ?
C67 C66 H76 118.9 . . ?
C65 C66 H76 118.9 . . ?
C66 C67 C68 119(3) . . ?
C66 C67 H77 120.3 . . ?
C68 C67 H77 120.3 . . ?
C69 C68 C67 121(3) . . ?
C69 C68 H78 119.7 . . ?
C67 C68 H78 119.7 . . ?
C68 C69 C70 122(4) . . ?
C68 C69 H79 118.8 . . ?
C70 C69 H79 118.8 . . ?
C69 C70 C65 117(3) . . ?
C69 C70 H80 121.7 . . ?
C65 C70 H80 121.7 . . ?
O10 Cu1 O1 173.9(11) . . ?
O10 Cu1 O7 85.9(8) . . ?
O1 Cu1 O7 92.0(8) . . ?
O10 Cu1 O9 86.7(9) . . ?
O1 Cu1 O9 91.4(8) . . ?
O7 Cu1 O9 140.8(9) . . ?
O10 Cu1 O5 90.6(9) . 4 ?
O1 Cu1 O5 95.1(8) . 4 ?
O7 Cu1 O5 131.0(9) . 4 ?
O9 Cu1 O5 87.5(8) . 4 ?
O6 Cu2 O8 165.1(8) 4 . ?
O6 Cu2 O2 92.6(7) 4 . ?
O8 Cu2 O2 88.7(7) . . ?
O6 Cu2 O12 88.8(7) 4 . ?
O8 Cu2 O12 88.4(8) . . ?
O2 Cu2 O12 173.8(8) . . ?
O6 Cu2 O11 96.8(8) 4 . ?
O8 Cu2 O11 98.0(8) . . ?
O2 Cu2 O11 88.5(8) . . ?
O12 Cu2 O11 97.4(8) . . ?
O15 N5 O14 122(4) . . ?
O15 N5 O13 121(4) . . ?
O14 N5 O13 117(3) . . ?
O18 N6 O17 120(4) . . ?
O18 N6 O16 120(4) . . ?
O17 N6 O16 120(3) . . ?
O21 N7 O20 119(3) . . ?
O21 N7 O19 122(3) . . ?
O20 N7 O19 119(3) . . ?
O24 N8 O23 123(4) . . ?
O24 N8 O22 120(4) . . ?
O23 N8 O22 118(4) . . ?

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
Pd1 S1 C1 C4 79.6(17) . . . . ?
Au1 S1 C1 C4 -28.2(19) . . . . ?
Pd1 S1 C1 C5 -160.6(16) . . . . ?
Au1 S1 C1 C5 91.7(18) . . . . ?
Pd1 S1 C1 C2 -40.4(18) . . . . ?
Au1 S1 C1 C2 -148.1(15) . . . . ?
Pd1 N1 C2 C3 -175.2(17) . . . . ?
Pd1 N1 C2 C1 -50(2) . . . . ?
C4 C1 C2 C3 63(3) . . . . ?
C5 C1 C2 C3 -59(3) . . . . ?
S1 C1 C2 C3 -176.1(19) . . . . ?
C4 C1 C2 N1 -62(3) . . . . ?
C5 C1 C2 N1 176(2) . . . . ?
S1 C1 C2 N1 59(2) . . . . ?
Cu1 O1 C3 O2 3(4) . . . . ?
Cu1 O1 C3 C2 -175.0(16) . . . . ?
Cu2 O2 C3 O1 20(4) . . . . ?
Cu2 O2 C3 C2 -162.7(15) . . . . ?
N1 C2 C3 O1 -144(2) . . . . ?
C1 C2 C3 O1 92(3) . . . . ?
N1 C2 C3 O2 38(3) . . . . ?
C1 C2 C3 O2 -86(3) . . . . ?
Pd1 S2 C6 C7 -25(2) . . . . ?
Au2 S2 C6 C7 78(2) . . . . ?
Pd1 S2 C6 C9 -153(2) . . . . ?
Au2 S2 C6 C9 -51(2) . . . . ?
Pd1 S2 C6 C10 95(2) . . . . ?
Au2 S2 C6 C10 -162.3(19) . . . . ?
Pd1 N2 C7 C8 -170(2) . . . . ?
Pd1 N2 C7 C6 -48(3) . . . . ?
C9 C6 C7 N2 170(2) . . . . ?
C10 C6 C7 N2 -71(3) . . . . ?
S2 C6 C7 N2 45(3) . . . . ?
C9 C6 C7 C8 -64(4) . . . . ?
C10 C6 C7 C8 55(4) . . . . ?
S2 C6 C7 C8 171(2) . . . . ?
N2 C7 C8 O3 -172(3) . . . . ?
C6 C7 C8 O3 68(4) . . . . ?
N2 C7 C8 O4 10(4) . . . . ?
C6 C7 C8 O4 -110(3) . . . . ?
C30 P2 C11 P1 -62.0(19) . . . . ?
C24 P2 C11 P1 -176.8(17) . . . . ?
Au2 P2 C11 P1 57.4(18) . . . . ?
C12 P1 C11 P2 82.6(19) . . . . ?
C18 P1 C11 P2 -166.8(15) . . . . ?
Au1 P1 C11 P2 -43.3(19) . . . . ?
C11 P1 C12 C13 63(2) . . . . ?
C18 P1 C12 C13 -50(2) . . . . ?
Au1 P1 C12 C13 -173.6(18) . . . . ?
C11 P1 C12 C17 -115(2) . . . . ?
C18 P1 C12 C17 132(2) . . . . ?
Au1 P1 C12 C17 8(3) . . . . ?
C17 C12 C13 C14 4(4) . . . . ?
P1 C12 C13 C14 -174.2(19) . . . . ?
C12 C13 C14 C15 -3(4) . . . . ?
C13 C14 C15 C16 1(5) . . . . ?
C14 C15 C16 C17 -1(5) . . . . ?
C13 C12 C17 C16 -4(4) . . . . ?
P1 C12 C17 C16 174(2) . . . . ?
C15 C16 C17 C12 2(4) . . . . ?
C12 P1 C18 C19 -57(2) . . . . ?
C11 P1 C18 C19 -168(2) . . . . ?
Au1 P1 C18 C19 68(2) . . . . ?
C12 P1 C18 C23 123(3) . . . . ?
C11 P1 C18 C23 12(3) . . . . ?
Au1 P1 C18 C23 -111(2) . . . . ?
C23 C18 C19 C20 5(4) . . . . ?
P1 C18 C19 C20 -174(2) . . . . ?
C18 C19 C20 C21 -2(4) . . . . ?
C19 C20 C21 C22 -1(5) . . . . ?
C20 C21 C22 C23 1(5) . . . . ?
C21 C22 C23 C18 2(5) . . . . ?
C19 C18 C23 C22 -5(4) . . . . ?
P1 C18 C23 C22 174(2) . . . . ?
C30 P2 C24 C25 -72(3) . . . . ?
C11 P2 C24 C25 40(3) . . . . ?
Au2 P2 C24 C25 164(3) . . . . ?
C30 P2 C24 C29 105(3) . . . . ?
C11 P2 C24 C29 -143(2) . . . . ?
Au2 P2 C24 C29 -19(3) . . . . ?
C29 C24 C25 C26 -1(5) . . . . ?
P2 C24 C25 C26 176(2) . . . . ?
C24 C25 C26 C27 3(5) . . . . ?
C25 C26 C27 C28 -2(5) . . . . ?
C26 C27 C28 C29 -3(5) . . . . ?
C25 C24 C29 C28 -4(5) . . . . ?
P2 C24 C29 C28 179(2) . . . . ?
C27 C28 C29 C24 6(5) . . . . ?
C11 P2 C30 C31 -60(3) . . . . ?
C24 P2 C30 C31 52(3) . . . . ?
Au2 P2 C30 C31 179(2) . . . . ?
C11 P2 C30 C35 128(2) . . . . ?
C24 P2 C30 C35 -119(2) . . . . ?
Au2 P2 C30 C35 8(2) . . . . ?
C35 C30 C31 C32 -5(4) . . . . ?
P2 C30 C31 C32 -177(2) . . . . ?
C30 C31 C32 C33 3(5) . . . . ?
C31 C32 C33 C34 1(5) . . . . ?
C32 C33 C34 C35 -4(4) . . . . ?
C31 C30 C35 C34 2(4) . . . . ?
P2 C30 C35 C34 174(2) . . . . ?
C33 C34 C35 C30 3(4) . . . . ?
Pd2 S3 C36 C37 -34.5(18) . . . . ?
Au3 S3 C36 C37 -132.9(16) . . . . ?
Pd2 S3 C36 C40 -152.6(15) . . . . ?
Au3 S3 C36 C40 109.0(16) . . . . ?
Pd2 S3 C36 C39 88.5(16) . . . . ?
Au3 S3 C36 C39 -9.9(18) . . . . ?
Pd2 N3 C37 C36 -52(3) . . . . ?
Pd2 N3 C37 C38 -179.9(16) . . . . ?
C40 C36 C37 N3 171.0(19) . . . . ?
C39 C36 C37 N3 -68(3) . . . . ?
S3 C36 C37 N3 55(2) . . . . ?
C40 C36 C37 C38 -66(3) . . . . ?
C39 C36 C37 C38 55(3) . . . . ?
S3 C36 C37 C38 178.5(19) . . . . ?
Cu1 O5 C38 O6 29(5) 4_545 . . . ?
Cu1 O5 C38 C37 -159.2(19) 4_545 . . . ?
Cu2 O6 C38 O5 -17(4) 4_545 . . . ?
Cu2 O6 C38 C37 171.5(16) 4_545 . . . ?
N3 C37 C38 O5 20(3) . . . . ?
C36 C37 C38 O5 -103(3) . . . . ?
N3 C37 C38 O6 -167(2) . . . . ?
C36 C37 C38 O6 69(3) . . . . ?
Pd2 S4 C41 C44 -158.5(17) . . . . ?
Au4 S4 C41 C44 -60(2) . . . . ?
Pd2 S4 C41 C42 -33.8(19) . . . . ?
Au4 S4 C41 C42 64.8(19) . . . . ?
Pd2 S4 C41 C45 84.5(18) . . . . ?
Au4 S4 C41 C45 -177.0(16) . . . . ?
C44 C41 C42 N4 167(2) . . . . ?
C45 C41 C42 N4 -64(3) . . . . ?
S4 C41 C42 N4 49(3) . . . . ?
C44 C41 C42 C43 -72(3) . . . . ?
C45 C41 C42 C43 57(3) . . . . ?
S4 C41 C42 C43 169.8(18) . . . . ?
Pd2 N4 C42 C41 -42(3) . . . . ?
Pd2 N4 C42 C43 -170.2(17) . . . . ?
Cu2 O8 C43 O7 12(4) . . . . ?
Cu2 O8 C43 C42 -166.1(17) . . . . ?
Cu1 O7 C43 O8 21(5) . . . . ?
Cu1 O7 C43 C42 -161.2(19) . . . . ?
C41 C42 C43 O8 -156(3) . . . . ?
N4 C42 C43 O8 -32(3) . . . . ?
C41 C42 C43 O7 26(3) . . . . ?
N4 C42 C43 O7 150(2) . . . . ?
C53 P3 C46 P4 -171.6(14) . . . . ?
C47 P3 C46 P4 77.4(17) . . . . ?
Au3 P3 C46 P4 -53.6(16) . . . . ?
C59 P4 C46 P3 168.7(14) . . . . ?
C65 P4 C46 P3 -78.8(16) . . . . ?
Au4 P4 C46 P3 53.1(15) . . . . ?
C53 P3 C47 C48 133(2) . . . . ?
C46 P3 C47 C48 -119(2) . . . . ?
Au3 P3 C47 C48 11(3) . . . . ?
C53 P3 C47 C52 -49(3) . . . . ?
C46 P3 C47 C52 60(3) . . . . ?
Au3 P3 C47 C52 -170(2) . . . . ?
C52 C47 C48 C49 -2(5) . . . . ?
P3 C47 C48 C49 177(2) . . . . ?
C47 C48 C49 C50 2(5) . . . . ?
C48 C49 C50 C51 1(5) . . . . ?
C49 C50 C51 C52 -4(5) . . . . ?
C50 C51 C52 C47 4(5) . . . . ?
C48 C47 C52 C51 -1(5) . . . . ?
P3 C47 C52 C51 -179(2) . . . . ?
C47 P3 C53 C58 106(3) . . . . ?
C46 P3 C53 C58 -6(3) . . . . ?
Au3 P3 C53 C58 -128(3) . . . . ?
C47 P3 C53 C54 -66(3) . . . . ?
C46 P3 C53 C54 -178(2) . . . . ?
Au3 P3 C53 C54 60(3) . . . . ?
C58 C53 C54 C55 12(5) . . . . ?
P3 C53 C54 C55 -176(3) . . . . ?
C53 C54 C55 C56 -6(6) . . . . ?
C54 C55 C56 C57 1(6) . . . . ?
C55 C56 C57 C58 -1(6) . . . . ?
C54 C53 C58 C57 -11(5) . . . . ?
P3 C53 C58 C57 177(3) . . . . ?
C56 C57 C58 C53 6(6) . . . . ?
C65 P4 C59 C64 86(2) . . . . ?
C46 P4 C59 C64 -159(2) . . . . ?
Au4 P4 C59 C64 -42(2) . . . . ?
C65 P4 C59 C60 -98(3) . . . . ?
C46 P4 C59 C60 17(3) . . . . ?
Au4 P4 C59 C60 134(2) . . . . ?
C64 C59 C60 C61 3(5) . . . . ?
P4 C59 C60 C61 -174(2) . . . . ?
C59 C60 C61 C62 1(5) . . . . ?
C60 C61 C62 C63 -4(5) . . . . ?
C61 C62 C63 C64 4(6) . . . . ?
C60 C59 C64 C63 -3(4) . . . . ?
P4 C59 C64 C63 174(2) . . . . ?
C62 C63 C64 C59 -1(5) . . . . ?
C59 P4 C65 C66 68(3) . . . . ?
C46 P4 C65 C66 -41(3) . . . . ?
Au4 P4 C65 C66 -169(2) . . . . ?
C59 P4 C65 C70 -111(2) . . . . ?
C46 P4 C65 C70 139(2) . . . . ?
Au4 P4 C65 C70 11(3) . . . . ?
C70 C65 C66 C67 2(5) . . . . ?
P4 C65 C66 C67 -177(2) . . . . ?
C65 C66 C67 C68 0(5) . . . . ?
C66 C67 C68 C69 -2(5) . . . . ?
C67 C68 C69 C70 1(5) . . . . ?
C68 C69 C70 C65 2(5) . . . . ?
C66 C65 C70 C69 -3(4) . . . . ?
P4 C65 C70 C69 177(2) . . . . ?

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
N1 H1 O13 0.91 1.97 2.87(3) 168.2 .
N1 H2 O16 0.91 2.10 2.83(4) 136.6 .
N2 H3 O16 0.91 2.55 3.39(4) 153.3 .
N2 H3 O17 0.91 2.32 3.05(4) 136.3 .
N2 H4 O15 0.91 2.16 3.01(4) 154.5 .
C4 H6 O2 0.98 2.41 3.07(3) 124.3 .
C9 H13 O3 0.98 2.38 2.99(4) 119.5 .
C10 H18 O15 0.98 2.62 3.57(5) 164.0 .
C13 H21 N8 0.95 2.55 3.22(4) 128.0 .
C23 H30 O14 0.95 2.65 3.38(4) 134.2 2_565
C25 H31 O23 0.95 2.45 3.37(4) 163.0 .
C31 H36 O23 0.95 2.54 3.45(4) 159.8 .
N3 H41 O27 0.91 2.43 3.13(3) 133.1 .
N3 H42 O19 0.91 2.20 3.09(3) 166.9 .
N3 H42 N7 0.91 2.63 3.37(3) 138.5 .
N4 H43 O20 0.91 2.23 3.13(4) 169.6 .
N4 H43 N7 0.91 2.69 3.46(3) 142.1 .
N4 H44 O13 0.91 2.08 2.96(3) 164.4 .
C40 H51 O6 0.98 2.45 3.08(3) 121.7 .
C44 H55 O7 0.98 2.46 2.98(3) 112.9 .
C45 H56 O7 0.98 2.53 3.07(3) 115.0 .
C46 H59 O24 0.99 2.29 3.25(4) 161.8 1_554
C52 H65 O23 0.95 2.61 3.36(4) 137.1 1_554
C66 H76 O22 0.95 2.46 3.25(3) 141.3 1_554
C70 H80 O21 0.95 2.56 3.13(4) 118.5 .
N1 H1 O13 0.91 1.97 2.87(3) 168.2 .
N1 H2 O16 0.91 2.10 2.83(4) 136.6 .

_refine_diff_density_max         3.526
_refine_diff_density_min         -3.810
_refine_diff_density_rms         0.301

