# Electronic Supplementary Material (ESI) for Chemical Communications.
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# 
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#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
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#  as required by the journal to which it was submitted.
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data_Na2[2]

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C75 H61 Au4 Na4 Ni2 O24 P4 S4'
_chemical_formula_sum            'C75 H61 Au4 Na4 Ni2 O24 P4 S4'
_chemical_formula_weight         2595.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ni Ni 0.3393 1.1124 '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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.848(3)
_cell_length_b                   21.586(3)
_cell_length_c                   33.891(3)
_cell_angle_alpha                90
_cell_angle_beta                 106.314(10)
_cell_angle_gamma                90
_cell_volume                     12532(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    7106
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.50

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_F_000             4972
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.141
_shelx_estimated_absorpt_T_min   0.577
_shelx_estimated_absorpt_T_max   0.783
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.162
_exptl_absorpt_correction_T_max  0.598
_exptl_absorpt_process_details   'Rigaku, 2014'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              '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            92281
_diffrn_reflns_av_unetI/netI     0.1357
_diffrn_reflns_av_R_equivalents  0.1232
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_theta_min         3.019
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             28575
_reflns_number_gt                18514
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

_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)+(0.2000P)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_number_reflns         28575
_refine_ls_number_parameters     619
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.2113
_refine_ls_R_factor_gt           0.1771
_refine_ls_wR_factor_ref         0.5240
_refine_ls_wR_factor_gt          0.5102
_refine_ls_goodness_of_fit_ref   1.822
_refine_ls_restrained_S_all      1.822
_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 0.28599(5) 0.41257(5) 0.81659(3) 0.0483(3) Uani 1 1 d . . . . .
Au2 Au 0.13391(5) 0.42177(5) 0.83574(3) 0.0521(3) Uani 1 1 d . . . . .
Ni1 Ni 0.29901(17) 0.44181(15) 0.93035(10) 0.0473(7) Uani 1 1 d . . . . .
S1 S 0.3381(3) 0.4770(3) 0.87167(18) 0.0467(13) Uani 1 1 d . . . . .
S2 S 0.1840(4) 0.3795(3) 0.9000(2) 0.0563(15) Uani 1 1 d . . . . .
P1 P 0.2292(4) 0.3579(3) 0.7582(2) 0.0503(15) Uani 1 1 d . . . . .
P2 P 0.0754(4) 0.4632(3) 0.7728(2) 0.0519(15) Uani 1 1 d . . . . .
O1 O 0.3842(10) 0.3744(8) 0.9391(6) 0.060(5) Uani 1 1 d . . . . .
O2 O 0.5064(8) 0.3628(11) 0.9292(6) 0.065(5) Uani 1 1 d . . . . .
O3 O 0.3825(8) 0.5013(9) 0.9636(5) 0.052(4) Uani 1 1 d . . . . .
O4 O 0.4725(10) 0.5772(7) 0.9770(6) 0.053(4) Uani 1 1 d . . . . .
O5 O 0.2200(9) 0.5107(8) 0.9278(5) 0.050(4) Uani 1 1 d . . . . .
O6 O 0.1010(13) 0.5351(11) 0.9312(10) 0.108(10) Uani 1 1 d . . . . .
O7 O 0.2905(9) 0.4097(8) 0.9866(6) 0.052(4) Uani 1 1 d . . . . .
O8 O 0.2413(16) 0.3759(12) 1.0360(7) 0.092(7) Uani 1 1 d . . . . .
C1 C 0.4392(14) 0.4516(11) 0.8968(8) 0.050(5) Uiso 1 1 d . . . . .
H1 H 0.4677 0.4448 0.8756 0.060 Uiso 1 1 calc R U . . .
C2 C 0.4459(16) 0.3918(13) 0.9248(9) 0.058(6) Uiso 1 1 d . . . . .
C3 C 0.4793(14) 0.5070(12) 0.9270(8) 0.050(5) Uiso 1 1 d . . . . .
H2 H 0.5320 0.4931 0.9429 0.060 Uiso 1 1 calc R U . . .
H3 H 0.4864 0.5424 0.9098 0.060 Uiso 1 1 calc R U . . .
C4 C 0.4390(13) 0.5300(11) 0.9564(7) 0.047(5) Uiso 1 1 d . . . . .
C5 C 0.1363(17) 0.4298(13) 0.9318(9) 0.059(6) Uiso 1 1 d . . . . .
H4 H 0.0792 0.4268 0.9177 0.071 Uiso 1 1 calc R U . . .
C6 C 0.1542(16) 0.4939(13) 0.9299(8) 0.058(6) Uiso 1 1 d . . . . .
C7 C 0.1454(16) 0.4010(13) 0.9736(9) 0.060(7) Uiso 1 1 d . . . . .
C8 C 0.2358(17) 0.3957(14) 1.0016(9) 0.063(7) Uiso 1 1 d . . . . .
C9 C 0.2972(9) 0.3350(9) 0.7312(6) 0.062(7) Uiso 1 1 d G . . . .
C10 C 0.3705(10) 0.3169(10) 0.7554(4) 0.058(6) Uiso 1 1 d G . . . .
H5 H 0.3823 0.3186 0.7845 0.070 Uiso 1 1 calc R U . . .
C11 C 0.4263(8) 0.2962(9) 0.7370(6) 0.075(8) Uiso 1 1 d G . . . .
H6 H 0.4764 0.2838 0.7535 0.090 Uiso 1 1 calc R U . . .
C12 C 0.4089(11) 0.2937(10) 0.6944(6) 0.065(7) Uiso 1 1 d G . . . .
H7 H 0.4471 0.2796 0.6818 0.078 Uiso 1 1 calc R U . . .
C13 C 0.3357(13) 0.3119(12) 0.6702(4) 0.18(2) Uiso 1 1 d G . . . .
H8 H 0.3238 0.3101 0.6411 0.210 Uiso 1 1 calc R U . . .
C14 C 0.2798(9) 0.3325(11) 0.6886(5) 0.071(8) Uiso 1 1 d G . . . .
H9 H 0.2298 0.3449 0.6721 0.085 Uiso 1 1 calc R U . . .
C15 C 0.1803(16) 0.2856(14) 0.7636(9) 0.062(7) Uiso 1 1 d . . . . .
C16 C 0.1403(17) 0.2496(15) 0.7359(10) 0.072(8) Uiso 1 1 d . . . . .
H10 H 0.1326 0.2636 0.7085 0.086 Uiso 1 1 calc R U . . .
C17 C 0.1083(19) 0.1965(16) 0.7395(11) 0.081(9) Uiso 1 1 d . . . . .
H11 H 0.0819 0.1728 0.7161 0.097 Uiso 1 1 calc R U . . .
C18 C 0.115(2) 0.1758(19) 0.7800(11) 0.089(10) Uiso 1 1 d . . . . .
H12 H 0.0913 0.1377 0.7840 0.106 Uiso 1 1 calc R U . . .
C19 C 0.159(2) 0.2137(17) 0.8174(12) 0.085(10) Uiso 1 1 d . . . . .
H13 H 0.1647 0.2012 0.8449 0.103 Uiso 1 1 calc R U . . .
C20 C 0.1877(17) 0.2641(14) 0.8077(10) 0.068(7) Uiso 1 1 d . . . . .
H14 H 0.2156 0.2901 0.8295 0.082 Uiso 1 1 calc R U . . .
C21 C 0.1507(14) 0.3982(12) 0.7199(8) 0.051(6) Uiso 1 1 d . . . . .
H15 H 0.1712 0.4386 0.7137 0.062 Uiso 1 1 calc R U . . .
H16 H 0.1375 0.3736 0.6942 0.062 Uiso 1 1 calc R U . . .
C22 C 0.0775(15) 0.4099(12) 0.7312(8) 0.053(6) Uiso 1 1 d . . . . .
H17 H 0.0587 0.3693 0.7382 0.063 Uiso 1 1 calc R U . . .
H18 H 0.0383 0.4249 0.7062 0.063 Uiso 1 1 calc R U . . .
C23 C -0.0299(15) 0.4833(13) 0.7687(8) 0.057(6) Uiso 1 1 d . . . . .
C24 C -0.0817(17) 0.4924(15) 0.7293(10) 0.069(8) Uiso 1 1 d . . . . .
H19 H -0.0672 0.4868 0.7046 0.083 Uiso 1 1 calc R U . . .
C25 C -0.1591(16) 0.5112(13) 0.7301(9) 0.058(6) Uiso 1 1 d . . . . .
H20 H -0.2018 0.5069 0.7061 0.070 Uiso 1 1 calc R U . . .
C26 C -0.1705(18) 0.5334(15) 0.7630(10) 0.073(8) Uiso 1 1 d . . . . .
H21 H -0.2159 0.5574 0.7613 0.087 Uiso 1 1 calc R U . . .
C27 C -0.1158(17) 0.5225(14) 0.8020(10) 0.067(7) Uiso 1 1 d . . . . .
H22 H -0.1288 0.5298 0.8269 0.081 Uiso 1 1 calc R U . . .
C28 C -0.0446(15) 0.5012(12) 0.8019(8) 0.056(6) Uiso 1 1 d . . . . .
H23 H -0.0043 0.4995 0.8271 0.067 Uiso 1 1 calc R U . . .
C29 C 0.1192(15) 0.5361(12) 0.7624(8) 0.052(6) Uiso 1 1 d . . . . .
C30 C 0.1756(18) 0.5657(15) 0.7944(10) 0.070(8) Uiso 1 1 d . . . . .
H24 H 0.1959 0.5473 0.8207 0.084 Uiso 1 1 calc R U . . .
C31 C 0.201(2) 0.6264(17) 0.7843(11) 0.080(9) Uiso 1 1 d . . . . .
H25 H 0.2372 0.6490 0.8051 0.097 Uiso 1 1 calc R U . . .
C32 C 0.1743(17) 0.6512(16) 0.7477(10) 0.072(8) Uiso 1 1 d . . . . .
H26 H 0.1877 0.6925 0.7427 0.086 Uiso 1 1 calc R U . . .
C33 C 0.122(3) 0.612(2) 0.7132(15) 0.112(13) Uiso 1 1 d . . . . .
H27 H 0.1120 0.6251 0.6854 0.134 Uiso 1 1 calc R U . . .
C34 C 0.092(2) 0.5632(17) 0.7218(11) 0.081(9) Uiso 1 1 d . . . . .
H28 H 0.0513 0.5436 0.7014 0.098 Uiso 1 1 calc R U . . .
Au3 Au 0.45583(5) 0.90265(5) 0.83587(3) 0.0498(3) Uani 1 1 d . . . . .
Au4 Au 0.28411(6) 0.89690(5) 0.81861(3) 0.0518(3) Uani 1 1 d . . . . .
Ni2 Ni 0.3735(2) 0.86813(16) 0.92976(10) 0.0542(8) Uani 1 1 d . . . . .
S3 S 0.4607(4) 0.8353(3) 0.8900(2) 0.0541(15) Uani 1 1 d . . . . .
S4 S 0.2829(4) 0.9351(3) 0.8825(2) 0.0591(16) Uani 1 1 d . . . . .
P3 P 0.4486(4) 0.9602(3) 0.7782(2) 0.0460(13) Uani 1 1 d . . . . .
P4 P 0.2756(4) 0.8586(3) 0.7553(2) 0.0514(15) Uani 1 1 d . . . . .
O9 O 0.4566(11) 0.9326(10) 0.9550(7) 0.072(6) Uani 1 1 d . . . . .
O10 O 0.5845(14) 0.9538(10) 0.9683(8) 0.098(8) Uani 1 1 d . . . . .
O11 O 0.4346(11) 0.8068(8) 0.9735(6) 0.059(4) Uani 1 1 d . . . . .
O12 O 0.5116(11) 0.7221(9) 0.9929(6) 0.068(5) Uani 1 1 d . . . . .
O13 O 0.2862(9) 0.8025(9) 0.9091(6) 0.058(4) Uani 1 1 d . . . . .
O14 O 0.1634(11) 0.7846(11) 0.8737(8) 0.097(9) Uani 1 1 d . . . . .
O15 O 0.3177(11) 0.8971(8) 0.9711(6) 0.063(5) Uani 1 1 d . . . . .
O16 O 0.2241(16) 0.9077(13) 1.0052(7) 0.100(9) Uani 1 1 d . . . . .
C35 C 0.5445(17) 0.8625(14) 0.9338(9) 0.065(7) Uiso 1 1 d . . . . .
H29 H 0.5900 0.8700 0.9227 0.078 Uiso 1 1 calc R U . . .
C36 C 0.5285(19) 0.9239(16) 0.9547(10) 0.071(8) Uiso 1 1 d . . . . .
C37 C 0.5652(16) 0.8038(13) 0.9642(9) 0.062(7) Uiso 1 1 d . . . . .
H30 H 0.5861 0.7707 0.9500 0.074 Uiso 1 1 calc R U . . .
H31 H 0.6076 0.8161 0.9887 0.074 Uiso 1 1 calc R U . . .
C38 C 0.5019(14) 0.7774(12) 0.9783(8) 0.051(6) Uiso 1 1 d . . . . .
C39 C 0.2009(15) 0.8877(12) 0.8927(8) 0.053(6) Uiso 1 1 d . . . . .
H32 H 0.1525 0.8971 0.8702 0.064 Uiso 1 1 calc R U . . .
C40 C 0.2156(17) 0.8217(14) 0.8912(9) 0.064(7) Uiso 1 1 d . . . . .
C41 C 0.189(2) 0.9118(17) 0.9306(11) 0.081(9) Uiso 1 1 d . . . . .
C42 C 0.245(2) 0.8983(16) 0.9675(11) 0.076(9) Uiso 1 1 d . . . . .
C43 C 0.5462(14) 0.9746(12) 0.7729(8) 0.053(6) Uiso 1 1 d . . . . .
C44 C 0.6087(18) 0.9799(15) 0.8055(10) 0.074(8) Uiso 1 1 d . . . . .
H33 H 0.6049 0.9668 0.8316 0.089 Uiso 1 1 calc R U . . .
C45 C 0.677(2) 1.0032(18) 0.8026(13) 0.093(10) Uiso 1 1 d . . . . .
H34 H 0.7205 1.0038 0.8264 0.112 Uiso 1 1 calc R U . . .
C46 C 0.686(2) 1.0284(17) 0.7626(12) 0.086(10) Uiso 1 1 d . . . . .
H35 H 0.7314 1.0492 0.7608 0.103 Uiso 1 1 calc R U . . .
C47 C 0.6333(15) 1.0205(13) 0.7348(9) 0.059(6) Uiso 1 1 d . . . . .
H36 H 0.6393 1.0335 0.7091 0.071 Uiso 1 1 calc R U . . .
C48 C 0.5561(19) 0.9921(15) 0.7339(10) 0.075(8) Uiso 1 1 d . . . . .
H37 H 0.5161 0.9861 0.7089 0.090 Uiso 1 1 calc R U . . .
C49 C 0.4024(14) 1.0347(11) 0.7764(7) 0.048(5) Uiso 1 1 d . . . . .
C50 C 0.3734(15) 1.0539(13) 0.8069(9) 0.059(6) Uiso 1 1 d . . . . .
H38 H 0.3777 1.0268 0.8295 0.071 Uiso 1 1 calc R U . . .
C51 C 0.3348(17) 1.1152(14) 0.8074(10) 0.068(7) Uiso 1 1 d . . . . .
H39 H 0.3141 1.1275 0.8292 0.082 Uiso 1 1 calc R U . . .
C52 C 0.3318(16) 1.1493(14) 0.7770(9) 0.065(7) Uiso 1 1 d . . . . .
H40 H 0.3136 1.1906 0.7773 0.078 Uiso 1 1 calc R U . . .
C53 C 0.3532(18) 1.1301(15) 0.7438(10) 0.072(8) Uiso 1 1 d . . . . .
H41 H 0.3412 1.1563 0.7203 0.087 Uiso 1 1 calc R U . . .
C54 C 0.3925(14) 1.0733(11) 0.7415(8) 0.051(6) Uiso 1 1 d . . . . .
H42 H 0.4106 1.0623 0.7185 0.061 Uiso 1 1 calc R U . . .
C55 C 0.3988(13) 0.9172(11) 0.7314(7) 0.047(5) Uiso 1 1 d . . . . .
H43 H 0.4115 0.9377 0.7079 0.056 Uiso 1 1 calc R U . . .
H44 H 0.4217 0.8751 0.7338 0.056 Uiso 1 1 calc R U . . .
C56 C 0.3141(14) 0.9104(12) 0.7207(8) 0.051(6) Uiso 1 1 d . . . . .
H45 H 0.2957 0.8940 0.6924 0.062 Uiso 1 1 calc R U . . .
H46 H 0.2908 0.9520 0.7207 0.062 Uiso 1 1 calc R U . . .
C57 C 0.1732(15) 0.8404(12) 0.7268(8) 0.055(6) Uiso 1 1 d . . . . .
C58 C 0.143(2) 0.8537(16) 0.6919(11) 0.081(9) Uiso 1 1 d . . . . .
H47 H 0.1755 0.8748 0.6780 0.097 Uiso 1 1 calc R U . . .
C59 C 0.061(2) 0.8411(18) 0.6673(12) 0.091(10) Uiso 1 1 d . . . . .
H48 H 0.0382 0.8541 0.6398 0.110 Uiso 1 1 calc R U . . .
C60 C 0.023(2) 0.8063(16) 0.6918(11) 0.079(9) Uiso 1 1 d . . . . .
H49 H -0.0285 0.7916 0.6791 0.095 Uiso 1 1 calc R U . . .
C61 C 0.0557(16) 0.7926(13) 0.7329(9) 0.060(7) Uiso 1 1 d . . . . .
H50 H 0.0288 0.7672 0.7473 0.072 Uiso 1 1 calc R U . . .
C62 C 0.1242(19) 0.8151(16) 0.7515(11) 0.081(9) Uiso 1 1 d . . . . .
H51 H 0.1424 0.8153 0.7807 0.097 Uiso 1 1 calc R U . . .
C63 C 0.3264(15) 0.7838(13) 0.7548(9) 0.060(7) Uiso 1 1 d . . . . .
C64 C 0.3612(16) 0.7556(13) 0.7902(9) 0.062(7) Uiso 1 1 d . . . . .
H52 H 0.3576 0.7712 0.8158 0.074 Uiso 1 1 calc R U . . .
C65 C 0.4065(18) 0.6976(15) 0.7876(10) 0.072(8) Uiso 1 1 d . . . . .
H53 H 0.4368 0.6763 0.8112 0.086 Uiso 1 1 calc R U . . .
C66 C 0.4007(18) 0.6795(16) 0.7506(10) 0.075(8) Uiso 1 1 d . . . . .
H54 H 0.4247 0.6405 0.7493 0.091 Uiso 1 1 calc R U . . .
C67 C 0.3697(18) 0.7030(15) 0.7164(11) 0.075(8) Uiso 1 1 d . . . . .
H55 H 0.3706 0.6832 0.6915 0.090 Uiso 1 1 calc R U . . .
C68 C 0.3326(16) 0.7620(13) 0.7168(9) 0.062(7) Uiso 1 1 d . . . . .
H56 H 0.3130 0.7854 0.6924 0.074 Uiso 1 1 calc R U . . .
Na1 Na 0.4102(6) 0.6585(5) 1.0036(3) 0.059(2) Uani 1 1 d . . . . .
Na2 Na 0.2148(6) 0.6174(5) 0.9413(4) 0.066(3) Uani 1 1 d . . . . .
Na3 Na 0.5834(5) 0.6348(5) 0.9906(3) 0.056(2) Uani 1 1 d . . . . .
Na4 Na 0.4326(8) 0.9374(6) 1.0200(4) 0.074(3) Uani 1 1 d . . . . .
O17 O 0.1961(13) 0.7070(17) 0.9822(9) 0.131(12) Uani 1 1 d . . . . .
C69 C 0.134(3) 0.749(2) 0.9751(15) 0.120(15) Uiso 1 1 d . . . . .
H57 H 0.1445 0.7795 0.9973 0.180 Uiso 1 1 calc R U . . .
H58 H 0.1282 0.7700 0.9488 0.180 Uiso 1 1 calc R U . . .
H59 H 0.0858 0.7265 0.9742 0.180 Uiso 1 1 calc R U . . .
O18 O 0.3203(14) 0.6761(12) 0.9313(5) 0.092(8) Uani 1 1 d . . . . .
C70 C 0.3576(19) 0.6669(17) 0.8979(10) 0.082(9) Uiso 1 1 d . . . . .
H60 H 0.3997 0.6972 0.9008 0.122 Uiso 1 1 calc R U . . .
H61 H 0.3793 0.6249 0.8997 0.122 Uiso 1 1 calc R U . . .
H62 H 0.3187 0.6724 0.8713 0.122 Uiso 1 1 calc R U . . .
O19 O 0.3124(10) 0.5821(9) 1.0033(6) 0.061(5) Uani 1 1 d . . . . .
C71 C 0.2819(17) 0.5589(14) 1.0337(9) 0.065(7) Uiso 1 1 d . . . . .
H63 H 0.2421 0.5276 1.0218 0.097 Uiso 1 1 calc R U . . .
H64 H 0.3238 0.5399 1.0554 0.097 Uiso 1 1 calc R U . . .
H65 H 0.2581 0.5927 1.0453 0.097 Uiso 1 1 calc R U . . .
O20 O 0.5467(14) 0.8886(10) 1.0556(9) 0.095(8) Uani 1 1 d . . . . .
C72 C 0.610(3) 0.915(2) 1.0749(15) 0.112(14) Uiso 1 1 d . . . . .
H66 H 0.6491 0.8829 1.0872 0.167 Uiso 1 1 calc R U . . .
H67 H 0.6293 0.9399 1.0557 0.167 Uiso 1 1 calc R U . . .
H68 H 0.6012 0.9410 1.0966 0.167 Uiso 1 1 calc R U . . .


_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 2.283(6) . ?
Au1 S1 2.304(6) . ?
Au1 Au2 2.9695(14) . ?
Au2 P2 2.279(7) . ?
Au2 S2 2.298(7) . ?
Ni1 O5 2.034(17) . ?
Ni1 O3 2.049(17) . ?
Ni1 O1 2.065(17) . ?
Ni1 O7 2.074(17) . ?
Ni1 S1 2.408(7) . ?
Ni1 S2 2.429(7) . ?
Ni1 Na3 3.340(10) 3_667 ?
S1 C1 1.85(2) . ?
S2 C5 1.89(3) . ?
P1 C9 1.782(15) . ?
P1 C15 1.82(3) . ?
P1 C21 1.84(3) . ?
P2 C22 1.83(3) . ?
P2 C29 1.83(3) . ?
P2 C23 1.90(3) . ?
O1 C2 1.38(3) . ?
O1 Na3 2.30(2) 3_667 ?
O2 C2 1.22(3) . ?
O2 Na1 2.39(2) 3_667 ?
O3 C4 1.26(3) . ?
O4 C4 1.28(3) . ?
O4 Na3 2.272(19) . ?
O4 Na1 2.385(19) . ?
O5 C6 1.25(3) . ?
O5 Na2 2.35(2) . ?
O6 C6 1.31(3) . ?
O6 Na2 2.65(3) . ?
O7 C8 1.26(3) . ?
O7 Na3 2.368(18) 3_667 ?
O8 C8 1.22(4) . ?
C1 C2 1.59(4) . ?
C1 C3 1.61(3) . ?
C1 H1 1.0000 . ?
C2 Na3 3.11(3) 3_667 ?
C3 C4 1.47(3) . ?
C3 H2 0.9900 . ?
C3 H3 0.9900 . ?
C5 C6 1.43(4) . ?
C5 C7 1.51(4) . ?
C5 H4 1.0000 . ?
C6 Na2 2.86(3) . ?
C7 C8 1.63(4) . ?
C9 C10 1.3900 . ?
C9 C14 1.3900 . ?
C10 C11 1.3900 . ?
C10 H5 0.9500 . ?
C11 C12 1.3900 . ?
C11 H6 0.9500 . ?
C12 C13 1.3900 . ?
C12 H7 0.9500 . ?
C13 C14 1.3900 . ?
C13 H8 0.9500 . ?
C14 H9 0.9500 . ?
C15 C16 1.27(4) . ?
C15 C20 1.54(4) . ?
C16 C17 1.30(4) . ?
C16 H10 0.9500 . ?
C17 C18 1.42(5) . ?
C17 H11 0.9500 . ?
C18 C19 1.53(5) . ?
C18 H12 0.9500 . ?
C19 C20 1.28(4) . ?
C19 H13 0.9500 . ?
C20 H14 0.9500 . ?
C21 C22 1.48(3) . ?
C21 H15 0.9900 . ?
C21 H16 0.9900 . ?
C22 H17 0.9900 . ?
C22 H18 0.9900 . ?
C23 C28 1.28(3) . ?
C23 C24 1.41(4) . ?
C24 C25 1.45(4) . ?
C24 H19 0.9500 . ?
C25 C26 1.28(4) . ?
C25 H20 0.9500 . ?
C26 C27 1.43(4) . ?
C26 H21 0.9500 . ?
C27 C28 1.35(4) . ?
C27 H22 0.9500 . ?
C28 H23 0.9500 . ?
C29 C30 1.41(4) . ?
C29 C34 1.45(4) . ?
C30 C31 1.46(5) . ?
C30 H24 0.9500 . ?
C31 C32 1.31(4) . ?
C31 H25 0.9500 . ?
C32 C33 1.53(5) . ?
C32 H26 0.9500 . ?
C33 C34 1.26(5) . ?
C33 H27 0.9500 . ?
C34 H28 0.9500 . ?
Au3 P3 2.288(6) . ?
Au3 S3 2.324(7) . ?
Au3 Au4 2.9570(14) . ?
Au4 P4 2.264(7) . ?
Au4 S4 2.322(7) . ?
Ni2 O15 2.032(18) . ?
Ni2 O9 2.04(2) . ?
Ni2 O11 2.056(18) . ?
Ni2 O13 2.077(18) . ?
Ni2 S4 2.412(7) . ?
Ni2 S3 2.431(7) . ?
Ni2 Na4 3.300(12) . ?
S3 C35 1.88(3) . ?
S4 C39 1.89(3) . ?
P3 C49 1.80(2) . ?
P3 C43 1.83(3) . ?
P3 C55 1.84(2) . ?
P4 C57 1.85(3) . ?
P4 C63 1.85(3) . ?
P4 C56 1.88(3) . ?
O9 C36 1.30(3) . ?
O9 Na4 2.36(2) . ?
O10 C36 1.17(4) . ?
O10 Na4 2.41(3) 3_677 ?
O11 C38 1.33(3) . ?
O12 C38 1.29(3) . ?
O12 Na3 2.29(2) . ?
O12 Na1 2.38(2) . ?
O13 C40 1.30(3) . ?
O14 C40 1.25(3) . ?
O15 C42 1.27(4) . ?
O15 Na4 2.41(2) . ?
O16 C42 1.44(4) . ?
C35 C36 1.56(4) . ?
C35 C37 1.61(4) . ?
C35 H29 1.0000 . ?
C37 C38 1.46(4) . ?
C37 H30 0.9900 . ?
C37 H31 0.9900 . ?
C39 C40 1.45(4) . ?
C39 C41 1.45(4) . ?
C39 H32 1.0000 . ?
C41 C42 1.39(5) . ?
C43 C44 1.34(4) . ?
C43 C48 1.43(4) . ?
C44 C45 1.34(4) . ?
C44 H33 0.9500 . ?
C45 C46 1.51(5) . ?
C45 H34 0.9500 . ?
C46 C47 1.14(4) . ?
C46 H35 0.9500 . ?
C47 C48 1.50(4) . ?
C47 H36 0.9500 . ?
C48 H37 0.9500 . ?
C49 C50 1.34(4) . ?
C49 C54 1.42(3) . ?
C50 C51 1.49(4) . ?
C50 H38 0.9500 . ?
C51 C52 1.26(4) . ?
C51 H39 0.9500 . ?
C52 C53 1.35(4) . ?
C52 H40 0.9500 . ?
C53 C54 1.43(4) . ?
C53 H41 0.9500 . ?
C54 H42 0.9500 . ?
C55 C56 1.46(3) . ?
C55 H43 0.9900 . ?
C55 H44 0.9900 . ?
C56 H45 0.9900 . ?
C56 H46 0.9900 . ?
C57 C58 1.19(4) . ?
C57 C62 1.47(4) . ?
C58 C59 1.49(5) . ?
C58 H47 0.9500 . ?
C59 C60 1.43(5) . ?
C59 H48 0.9500 . ?
C60 C61 1.38(4) . ?
C60 H49 0.9500 . ?
C61 C62 1.30(4) . ?
C61 H50 0.9500 . ?
C62 H51 0.9500 . ?
C63 C64 1.33(4) . ?
C63 C68 1.40(4) . ?
C64 C65 1.50(4) . ?
C64 H52 0.9500 . ?
C65 C66 1.29(4) . ?
C65 H53 0.9500 . ?
C66 C67 1.24(4) . ?
C66 H54 0.9500 . ?
C67 C68 1.44(4) . ?
C67 H55 0.9500 . ?
C68 H56 0.9500 . ?
Na1 O2 2.39(2) 3_667 ?
Na1 O19 2.40(2) . ?
Na1 O18 2.55(2) . ?
Na1 Na3 3.283(13) . ?
Na1 Na2 3.643(15) . ?
Na2 O18 2.37(3) . ?
Na2 O19 2.44(2) . ?
Na2 O17 2.46(3) . ?
Na3 O1 2.30(2) 3_667 ?
Na3 O7 2.368(18) 3_667 ?
Na3 C2 3.11(3) 3_667 ?
Na3 Ni1 3.341(10) 3_667 ?
Na4 O20 2.31(3) . ?
Na4 O10 2.41(3) 3_677 ?
Na4 Na4 4.09(2) 3_677 ?
O17 C69 1.40(5) . ?
C69 H57 0.9800 . ?
C69 H58 0.9800 . ?
C69 H59 0.9800 . ?
O18 C70 1.48(4) . ?
C70 H60 0.9800 . ?
C70 H61 0.9800 . ?
C70 H62 0.9800 . ?
O19 C71 1.39(3) . ?
C71 H63 0.9800 . ?
C71 H64 0.9800 . ?
C71 H65 0.9800 . ?
O20 C72 1.27(5) . ?
C72 H66 0.9800 . ?
C72 H67 0.9800 . ?
C72 H68 0.9800 . ?

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 173.9(2) . . ?
P1 Au1 Au2 90.77(17) . . ?
S1 Au1 Au2 88.19(15) . . ?
P2 Au2 S2 175.8(2) . . ?
P2 Au2 Au1 91.62(17) . . ?
S2 Au2 Au1 92.55(17) . . ?
O5 Ni1 O3 87.3(7) . . ?
O5 Ni1 O1 174.1(7) . . ?
O3 Ni1 O1 88.2(7) . . ?
O5 Ni1 O7 93.1(7) . . ?
O3 Ni1 O7 86.2(7) . . ?
O1 Ni1 O7 82.7(7) . . ?
O5 Ni1 S1 95.3(5) . . ?
O3 Ni1 S1 85.5(5) . . ?
O1 Ni1 S1 88.2(6) . . ?
O7 Ni1 S1 167.9(5) . . ?
O5 Ni1 S2 83.9(5) . . ?
O3 Ni1 S2 168.0(5) . . ?
O1 Ni1 S2 99.9(5) . . ?
O7 Ni1 S2 86.1(5) . . ?
S1 Ni1 S2 103.4(2) . . ?
O5 Ni1 Na3 131.8(5) . 3_667 ?
O3 Ni1 Na3 70.9(5) . 3_667 ?
O1 Ni1 Na3 42.7(6) . 3_667 ?
O7 Ni1 Na3 44.7(5) . 3_667 ?
S1 Ni1 Na3 123.8(2) . 3_667 ?
S2 Ni1 Na3 109.3(3) . 3_667 ?
C1 S1 Au1 108.3(8) . . ?
C1 S1 Ni1 89.9(8) . . ?
Au1 S1 Ni1 109.5(3) . . ?
C5 S2 Au2 101.2(9) . . ?
C5 S2 Ni1 84.4(9) . . ?
Au2 S2 Ni1 103.8(3) . . ?
C9 P1 C15 103.2(11) . . ?
C9 P1 C21 105.3(10) . . ?
C15 P1 C21 100.6(12) . . ?
C9 P1 Au1 112.7(7) . . ?
C15 P1 Au1 117.6(10) . . ?
C21 P1 Au1 115.6(9) . . ?
C22 P2 C29 106.9(12) . . ?
C22 P2 C23 108.8(12) . . ?
C29 P2 C23 104.9(12) . . ?
C22 P2 Au2 111.8(9) . . ?
C29 P2 Au2 114.1(9) . . ?
C23 P2 Au2 110.0(9) . . ?
C2 O1 Ni1 112.8(15) . . ?
C2 O1 Na3 113.5(15) . 3_667 ?
Ni1 O1 Na3 99.8(9) . 3_667 ?
C2 O2 Na1 120.6(18) . 3_667 ?
C4 O3 Ni1 134.1(15) . . ?
C4 O4 Na3 142.3(16) . . ?
C4 O4 Na1 126.4(15) . . ?
Na3 O4 Na1 89.6(6) . . ?
C6 O5 Ni1 115.9(17) . . ?
C6 O5 Na2 100.6(16) . . ?
Ni1 O5 Na2 140.5(8) . . ?
C6 O6 Na2 85.5(17) . . ?
C8 O7 Ni1 135.9(18) . . ?
C8 O7 Na3 123.0(18) . 3_667 ?
Ni1 O7 Na3 97.3(7) . 3_667 ?
C2 C1 C3 106(2) . . ?
C2 C1 S1 114.7(17) . . ?
C3 C1 S1 106.0(16) . . ?
C2 C1 H1 109.9 . . ?
C3 C1 H1 109.9 . . ?
S1 C1 H1 109.9 . . ?
O2 C2 O1 126(3) . . ?
O2 C2 C1 114(2) . . ?
O1 C2 C1 120(2) . . ?
O2 C2 Na3 99.4(17) . 3_667 ?
O1 C2 Na3 42.6(12) . 3_667 ?
C1 C2 Na3 134.2(17) . 3_667 ?
C4 C3 C1 118(2) . . ?
C4 C3 H2 107.8 . . ?
C1 C3 H2 107.8 . . ?
C4 C3 H3 107.8 . . ?
C1 C3 H3 107.8 . . ?
H2 C3 H3 107.2 . . ?
O3 C4 O4 124(2) . . ?
O3 C4 C3 122(2) . . ?
O4 C4 C3 113(2) . . ?
C6 C5 C7 118(2) . . ?
C6 C5 S2 113(2) . . ?
C7 C5 S2 110.6(19) . . ?
C6 C5 H4 104.5 . . ?
C7 C5 H4 104.5 . . ?
S2 C5 H4 104.5 . . ?
O5 C6 O6 120(3) . . ?
O5 C6 C5 121(2) . . ?
O6 C6 C5 119(3) . . ?
O5 C6 Na2 54.0(13) . . ?
O6 C6 Na2 67.3(16) . . ?
C5 C6 Na2 168(2) . . ?
C5 C7 C8 114(2) . . ?
O8 C8 O7 127(3) . . ?
O8 C8 C7 112(3) . . ?
O7 C8 C7 120(3) . . ?
C10 C9 C14 120.0 . . ?
C10 C9 P1 116.1(11) . . ?
C14 C9 P1 123.9(11) . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H5 120.0 . . ?
C9 C10 H5 120.0 . . ?
C10 C11 C12 120.0 . . ?
C10 C11 H6 120.0 . . ?
C12 C11 H6 120.0 . . ?
C11 C12 C13 120.0 . . ?
C11 C12 H7 120.0 . . ?
C13 C12 H7 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H8 120.0 . . ?
C14 C13 H8 120.0 . . ?
C13 C14 C9 120.0 . . ?
C13 C14 H9 120.0 . . ?
C9 C14 H9 120.0 . . ?
C16 C15 C20 114(3) . . ?
C16 C15 P1 129(3) . . ?
C20 C15 P1 116(2) . . ?
C15 C16 C17 130(4) . . ?
C15 C16 H10 115.1 . . ?
C17 C16 H10 115.1 . . ?
C16 C17 C18 117(3) . . ?
C16 C17 H11 121.7 . . ?
C18 C17 H11 121.7 . . ?
C17 C18 C19 121(3) . . ?
C17 C18 H12 119.4 . . ?
C19 C18 H12 119.4 . . ?
C20 C19 C18 113(3) . . ?
C20 C19 H13 123.4 . . ?
C18 C19 H13 123.4 . . ?
C19 C20 C15 125(3) . . ?
C19 C20 H14 117.5 . . ?
C15 C20 H14 117.5 . . ?
C22 C21 P1 116.6(19) . . ?
C22 C21 H15 108.1 . . ?
P1 C21 H15 108.1 . . ?
C22 C21 H16 108.1 . . ?
P1 C21 H16 108.1 . . ?
H15 C21 H16 107.3 . . ?
C21 C22 P2 121.1(19) . . ?
C21 C22 H17 107.0 . . ?
P2 C22 H17 107.0 . . ?
C21 C22 H18 107.0 . . ?
P2 C22 H18 107.0 . . ?
H17 C22 H18 106.8 . . ?
C28 C23 C24 123(3) . . ?
C28 C23 P2 117(2) . . ?
C24 C23 P2 118(2) . . ?
C23 C24 C25 113(3) . . ?
C23 C24 H19 123.4 . . ?
C25 C24 H19 123.4 . . ?
C26 C25 C24 121(3) . . ?
C26 C25 H20 119.7 . . ?
C24 C25 H20 119.7 . . ?
C25 C26 C27 121(3) . . ?
C25 C26 H21 119.7 . . ?
C27 C26 H21 119.7 . . ?
C28 C27 C26 117(3) . . ?
C28 C27 H22 121.5 . . ?
C26 C27 H22 121.5 . . ?
C23 C28 C27 122(3) . . ?
C23 C28 H23 119.1 . . ?
C27 C28 H23 119.1 . . ?
C30 C29 C34 122(3) . . ?
C30 C29 P2 119(2) . . ?
C34 C29 P2 119(2) . . ?
C29 C30 C31 115(3) . . ?
C29 C30 H24 122.4 . . ?
C31 C30 H24 122.4 . . ?
C32 C31 C30 123(3) . . ?
C32 C31 H25 118.7 . . ?
C30 C31 H25 118.7 . . ?
C31 C32 C33 119(4) . . ?
C31 C32 H26 120.7 . . ?
C33 C32 H26 120.7 . . ?
C34 C33 C32 120(4) . . ?
C34 C33 H27 120.2 . . ?
C32 C33 H27 120.2 . . ?
C33 C34 C29 121(4) . . ?
C33 C34 H28 119.6 . . ?
C29 C34 H28 119.6 . . ?
P3 Au3 S3 174.1(2) . . ?
P3 Au3 Au4 92.71(16) . . ?
S3 Au3 Au4 86.36(17) . . ?
P4 Au4 S4 175.7(2) . . ?
P4 Au4 Au3 89.59(17) . . ?
S4 Au4 Au3 94.68(18) . . ?
O15 Ni2 O9 86.6(8) . . ?
O15 Ni2 O11 88.0(7) . . ?
O9 Ni2 O11 87.8(7) . . ?
O15 Ni2 O13 88.6(7) . . ?
O9 Ni2 O13 174.8(8) . . ?
O11 Ni2 O13 90.0(8) . . ?
O15 Ni2 S4 84.6(6) . . ?
O9 Ni2 S4 98.2(6) . . ?
O11 Ni2 S4 170.2(6) . . ?
O13 Ni2 S4 83.4(6) . . ?
O15 Ni2 S3 170.2(6) . . ?
O9 Ni2 S3 85.9(6) . . ?
O11 Ni2 S3 85.4(5) . . ?
O13 Ni2 S3 98.7(5) . . ?
S4 Ni2 S3 102.8(3) . . ?
O15 Ni2 Na4 46.6(6) . . ?
O9 Ni2 Na4 45.3(6) . . ?
O11 Ni2 Na4 69.9(5) . . ?
O13 Ni2 Na4 129.5(6) . . ?
S4 Ni2 Na4 108.9(3) . . ?
S3 Ni2 Na4 123.9(3) . . ?
C35 S3 Au3 105.8(10) . . ?
C35 S3 Ni2 87.9(10) . . ?
Au3 S3 Ni2 111.5(3) . . ?
C39 S4 Au4 100.9(8) . . ?
C39 S4 Ni2 87.9(8) . . ?
Au4 S4 Ni2 103.1(3) . . ?
C49 P3 C43 106.5(12) . . ?
C49 P3 C55 108.3(11) . . ?
C43 P3 C55 104.1(11) . . ?
C49 P3 Au3 115.5(8) . . ?
C43 P3 Au3 110.5(9) . . ?
C55 P3 Au3 111.2(8) . . ?
C57 P4 C63 102.9(12) . . ?
C57 P4 C56 106.2(12) . . ?
C63 P4 C56 104.2(12) . . ?
C57 P4 Au4 111.5(9) . . ?
C63 P4 Au4 115.1(9) . . ?
C56 P4 Au4 115.7(9) . . ?
C36 O9 Ni2 120(2) . . ?
C36 O9 Na4 117(2) . . ?
Ni2 O9 Na4 96.9(8) . . ?
C36 O10 Na4 118(2) . 3_677 ?
C38 O11 Ni2 132.4(16) . . ?
C38 O12 Na3 140.0(18) . . ?
C38 O12 Na1 124.7(17) . . ?
Na3 O12 Na1 89.3(7) . . ?
C40 O13 Ni2 118.4(18) . . ?
C42 O15 Ni2 129(2) . . ?
C42 O15 Na4 135(2) . . ?
Ni2 O15 Na4 95.6(8) . . ?
C36 C35 C37 115(2) . . ?
C36 C35 S3 115(2) . . ?
C37 C35 S3 104.3(19) . . ?
C36 C35 H29 107.7 . . ?
C37 C35 H29 107.7 . . ?
S3 C35 H29 107.7 . . ?
O10 C36 O9 131(3) . . ?
O10 C36 C35 114(3) . . ?
O9 C36 C35 116(3) . . ?
C38 C37 C35 117(2) . . ?
C38 C37 H30 108.0 . . ?
C35 C37 H30 108.0 . . ?
C38 C37 H31 108.0 . . ?
C35 C37 H31 108.0 . . ?
H30 C37 H31 107.2 . . ?
O12 C38 O11 121(2) . . ?
O12 C38 C37 117(2) . . ?
O11 C38 C37 122(2) . . ?
C40 C39 C41 117(3) . . ?
C40 C39 S4 111.5(19) . . ?
C41 C39 S4 106(2) . . ?
C40 C39 H32 107.3 . . ?
C41 C39 H32 107.3 . . ?
S4 C39 H32 107.3 . . ?
O14 C40 O13 121(3) . . ?
O14 C40 C39 122(3) . . ?
O13 C40 C39 117(3) . . ?
C42 C41 C39 118(3) . . ?
O15 C42 C41 123(3) . . ?
O15 C42 O16 115(3) . . ?
C41 C42 O16 118(3) . . ?
C44 C43 C48 117(3) . . ?
C44 C43 P3 122(2) . . ?
C48 C43 P3 120(2) . . ?
C43 C44 C45 122(3) . . ?
C43 C44 H33 118.8 . . ?
C45 C44 H33 118.8 . . ?
C44 C45 C46 122(4) . . ?
C44 C45 H34 119.2 . . ?
C46 C45 H34 119.2 . . ?
C47 C46 C45 115(4) . . ?
C47 C46 H35 122.5 . . ?
C45 C46 H35 122.5 . . ?
C46 C47 C48 128(3) . . ?
C46 C47 H36 116.1 . . ?
C48 C47 H36 116.1 . . ?
C43 C48 C47 116(3) . . ?
C43 C48 H37 122.0 . . ?
C47 C48 H37 122.0 . . ?
C50 C49 C54 118(2) . . ?
C50 C49 P3 121(2) . . ?
C54 C49 P3 120.1(18) . . ?
C49 C50 C51 124(3) . . ?
C49 C50 H38 117.9 . . ?
C51 C50 H38 117.9 . . ?
C52 C51 C50 115(3) . . ?
C52 C51 H39 122.6 . . ?
C50 C51 H39 122.6 . . ?
C51 C52 C53 123(3) . . ?
C51 C52 H40 118.4 . . ?
C53 C52 H40 118.4 . . ?
C52 C53 C54 125(3) . . ?
C52 C53 H41 117.7 . . ?
C54 C53 H41 117.7 . . ?
C49 C54 C53 114(2) . . ?
C49 C54 H42 123.0 . . ?
C53 C54 H42 123.0 . . ?
C56 C55 P3 118.7(18) . . ?
C56 C55 H43 107.6 . . ?
P3 C55 H43 107.6 . . ?
C56 C55 H44 107.6 . . ?
P3 C55 H44 107.6 . . ?
H43 C55 H44 107.1 . . ?
C55 C56 P4 116.1(18) . . ?
C55 C56 H45 108.3 . . ?
P4 C56 H45 108.3 . . ?
C55 C56 H46 108.3 . . ?
P4 C56 H46 108.3 . . ?
H45 C56 H46 107.4 . . ?
C58 C57 C62 119(3) . . ?
C58 C57 P4 125(3) . . ?
C62 C57 P4 116(2) . . ?
C57 C58 C59 127(4) . . ?
C57 C58 H47 116.4 . . ?
C59 C58 H47 116.4 . . ?
C60 C59 C58 109(3) . . ?
C60 C59 H48 125.4 . . ?
C58 C59 H48 125.4 . . ?
C61 C60 C59 124(3) . . ?
C61 C60 H49 118.0 . . ?
C59 C60 H49 118.0 . . ?
C62 C61 C60 119(3) . . ?
C62 C61 H50 120.5 . . ?
C60 C61 H50 120.5 . . ?
C61 C62 C57 119(3) . . ?
C61 C62 H51 120.4 . . ?
C57 C62 H51 120.4 . . ?
C64 C63 C68 122(3) . . ?
C64 C63 P4 120(2) . . ?
C68 C63 P4 118(2) . . ?
C63 C64 C65 117(3) . . ?
C63 C64 H52 121.6 . . ?
C65 C64 H52 121.6 . . ?
C66 C65 C64 114(3) . . ?
C66 C65 H53 122.8 . . ?
C64 C65 H53 122.8 . . ?
C67 C66 C65 132(4) . . ?
C67 C66 H54 113.8 . . ?
C65 C66 H54 113.8 . . ?
C66 C67 C68 116(3) . . ?
C66 C67 H55 122.0 . . ?
C68 C67 H55 122.0 . . ?
C63 C68 C67 117(3) . . ?
C63 C68 H56 121.3 . . ?
C67 C68 H56 121.3 . . ?
O12 Na1 O4 85.0(7) . . ?
O12 Na1 O2 87.7(7) . 3_667 ?
O4 Na1 O2 89.3(7) . 3_667 ?
O12 Na1 O19 168.5(9) . . ?
O4 Na1 O19 84.8(7) . . ?
O2 Na1 O19 97.4(8) 3_667 . ?
O12 Na1 O18 93.9(8) . . ?
O4 Na1 O18 88.9(7) . . ?
O2 Na1 O18 177.5(10) 3_667 . ?
O19 Na1 O18 80.6(9) . . ?
O12 Na1 Na3 44.3(5) . . ?
O4 Na1 Na3 43.8(5) . . ?
O2 Na1 Na3 75.0(5) 3_667 . ?
O19 Na1 Na3 127.1(6) . . ?
O18 Na1 Na3 104.9(6) . . ?
O12 Na1 Na2 134.3(6) . . ?
O4 Na1 Na2 94.2(6) . . ?
O2 Na1 Na2 138.1(6) 3_667 . ?
O19 Na1 Na2 41.7(5) . . ?
O18 Na1 Na2 40.4(7) . . ?
Na3 Na1 Na2 131.9(4) . . ?
O5 Na2 O18 114.8(8) . . ?
O5 Na2 O19 78.7(7) . . ?
O18 Na2 O19 83.5(7) . . ?
O5 Na2 O17 154.0(11) . . ?
O18 Na2 O17 84.2(10) . . ?
O19 Na2 O17 86.4(9) . . ?
O5 Na2 O6 52.4(6) . . ?
O18 Na2 O6 162.1(9) . . ?
O19 Na2 O6 103.8(9) . . ?
O17 Na2 O6 112.3(10) . . ?
O5 Na2 C6 25.4(6) . . ?
O18 Na2 C6 139.8(9) . . ?
O19 Na2 C6 88.7(8) . . ?
O17 Na2 C6 134.7(11) . . ?
O6 Na2 C6 27.2(7) . . ?
O5 Na2 Na1 105.5(5) . . ?
O18 Na2 Na1 44.2(5) . . ?
O19 Na2 Na1 40.8(5) . . ?
O17 Na2 Na1 75.0(7) . . ?
O6 Na2 Na1 144.4(7) . . ?
C6 Na2 Na1 124.7(7) . . ?
O4 Na3 O12 89.6(7) . . ?
O4 Na3 O1 96.5(8) . 3_667 ?
O12 Na3 O1 90.8(8) . 3_667 ?
O4 Na3 O7 122.6(7) . 3_667 ?
O12 Na3 O7 144.2(8) . 3_667 ?
O1 Na3 O7 71.8(7) 3_667 3_667 ?
O4 Na3 C2 73.9(7) . 3_667 ?
O12 Na3 C2 83.0(8) . 3_667 ?
O1 Na3 C2 23.9(7) 3_667 3_667 ?
O7 Na3 C2 90.8(7) 3_667 3_667 ?
O4 Na3 Na1 46.6(5) . . ?
O12 Na3 Na1 46.4(6) . . ?
O1 Na3 Na1 81.1(6) 3_667 . ?
O7 Na3 Na1 149.7(6) 3_667 . ?
C2 Na3 Na1 59.8(6) 3_667 . ?
O4 Na3 Ni1 101.9(5) . 3_667 ?
O12 Na3 Ni1 127.6(6) . 3_667 ?
O1 Na3 Ni1 37.5(5) 3_667 3_667 ?
O7 Na3 Ni1 38.0(4) 3_667 3_667 ?
C2 Na3 Ni1 53.1(5) 3_667 3_667 ?
Na1 Na3 Ni1 111.9(3) . 3_667 ?
O20 Na4 O9 95.9(10) . . ?
O20 Na4 O15 130.5(9) . . ?
O9 Na4 O15 71.6(8) . . ?
O20 Na4 O10 119.5(10) . 3_677 ?
O9 Na4 O10 105.1(9) . 3_677 ?
O15 Na4 O10 110.0(8) . 3_677 ?
O20 Na4 Ni2 106.4(8) . . ?
O9 Na4 Ni2 37.8(6) . . ?
O15 Na4 Ni2 37.8(5) . . ?
O10 Na4 Ni2 124.8(7) 3_677 . ?
O20 Na4 Na4 87.7(8) . 3_677 ?
O9 Na4 Na4 56.1(6) . 3_677 ?
O15 Na4 Na4 118.5(7) . 3_677 ?
O10 Na4 Na4 61.7(7) 3_677 3_677 ?
Ni2 Na4 Na4 93.3(4) . 3_677 ?
C69 O17 Na2 130(3) . . ?
O17 C69 H57 109.5 . . ?
O17 C69 H58 109.5 . . ?
H57 C69 H58 109.5 . . ?
O17 C69 H59 109.5 . . ?
H57 C69 H59 109.5 . . ?
H58 C69 H59 109.5 . . ?
C70 O18 Na2 126(2) . . ?
C70 O18 Na1 114.6(17) . . ?
Na2 O18 Na1 95.4(8) . . ?
O18 C70 H60 109.5 . . ?
O18 C70 H61 109.5 . . ?
H60 C70 H61 109.5 . . ?
O18 C70 H62 109.5 . . ?
H60 C70 H62 109.5 . . ?
H61 C70 H62 109.5 . . ?
C71 O19 Na1 133.0(17) . . ?
C71 O19 Na2 114.7(16) . . ?
Na1 O19 Na2 97.6(8) . . ?
O19 C71 H63 109.5 . . ?
O19 C71 H64 109.5 . . ?
H63 C71 H64 109.5 . . ?
O19 C71 H65 109.5 . . ?
H63 C71 H65 109.5 . . ?
H64 C71 H65 109.5 . . ?
C72 O20 Na4 127(3) . . ?
O20 C72 H66 109.5 . . ?
O20 C72 H67 109.5 . . ?
H66 C72 H67 109.5 . . ?
O20 C72 H68 109.5 . . ?
H66 C72 H68 109.5 . . ?
H67 C72 H68 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C1 C2 -77.2(19) . . . . ?
Ni1 S1 C1 C2 33.4(18) . . . . ?
Au1 S1 C1 C3 166.1(13) . . . . ?
Ni1 S1 C1 C3 -83.4(15) . . . . ?
Na1 O2 C2 O1 -61(3) 3_667 . . . ?
Na1 O2 C2 C1 124(2) 3_667 . . . ?
Na1 O2 C2 Na3 -24(2) 3_667 . . 3_667 ?
Ni1 O1 C2 O2 174(2) . . . . ?
Na3 O1 C2 O2 61(3) 3_667 . . . ?
Ni1 O1 C2 C1 -12(3) . . . . ?
Na3 O1 C2 C1 -124(2) 3_667 . . . ?
Ni1 O1 C2 Na3 112.6(17) . . . 3_667 ?
C3 C1 C2 O2 -88(3) . . . . ?
S1 C1 C2 O2 155(2) . . . . ?
C3 C1 C2 O1 97(3) . . . . ?
S1 C1 C2 O1 -20(3) . . . . ?
C3 C1 C2 Na3 45(3) . . . 3_667 ?
S1 C1 C2 Na3 -71(3) . . . 3_667 ?
C2 C1 C3 C4 -70(3) . . . . ?
S1 C1 C3 C4 52(3) . . . . ?
Ni1 O3 C4 O4 161.2(17) . . . . ?
Ni1 O3 C4 C3 -28(4) . . . . ?
Na3 O4 C4 O3 162.2(18) . . . . ?
Na1 O4 C4 O3 -38(3) . . . . ?
Na3 O4 C4 C3 -10(4) . . . . ?
Na1 O4 C4 C3 149.9(17) . . . . ?
C1 C3 C4 O3 13(3) . . . . ?
C1 C3 C4 O4 -175(2) . . . . ?
Au2 S2 C5 C6 -58(2) . . . . ?
Ni1 S2 C5 C6 45(2) . . . . ?
Au2 S2 C5 C7 166.4(18) . . . . ?
Ni1 S2 C5 C7 -90.6(19) . . . . ?
Ni1 O5 C6 O6 176(2) . . . . ?
Na2 O5 C6 O6 11(3) . . . . ?
Ni1 O5 C6 C5 -3(3) . . . . ?
Na2 O5 C6 C5 -167(2) . . . . ?
Ni1 O5 C6 Na2 164.5(16) . . . . ?
Na2 O6 C6 O5 -10(3) . . . . ?
Na2 O6 C6 C5 169(2) . . . . ?
C7 C5 C6 O5 95(3) . . . . ?
S2 C5 C6 O5 -36(3) . . . . ?
C7 C5 C6 O6 -83(4) . . . . ?
S2 C5 C6 O6 146(3) . . . . ?
C7 C5 C6 Na2 36(11) . . . . ?
S2 C5 C6 Na2 -96(10) . . . . ?
C6 C5 C7 C8 -69(3) . . . . ?
S2 C5 C7 C8 64(3) . . . . ?
Ni1 O7 C8 O8 178(2) . . . . ?
Na3 O7 C8 O8 26(4) 3_667 . . . ?
Ni1 O7 C8 C7 1(4) . . . . ?
Na3 O7 C8 C7 -152.0(19) 3_667 . . . ?
C5 C7 C8 O8 176(3) . . . . ?
C5 C7 C8 O7 -6(4) . . . . ?
C15 P1 C9 C10 -89.8(14) . . . . ?
C21 P1 C9 C10 165.1(13) . . . . ?
Au1 P1 C9 C10 38.2(13) . . . . ?
C15 P1 C9 C14 87.9(16) . . . . ?
C21 P1 C9 C14 -17.2(16) . . . . ?
Au1 P1 C9 C14 -144.2(11) . . . . ?
C14 C9 C10 C11 0.0 . . . . ?
P1 C9 C10 C11 177.7(15) . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C12 C13 C14 C9 0.0 . . . . ?
C10 C9 C14 C13 0.0 . . . . ?
P1 C9 C14 C13 -177.6(16) . . . . ?
C9 P1 C15 C16 -61(3) . . . . ?
C21 P1 C15 C16 48(3) . . . . ?
Au1 P1 C15 C16 175(3) . . . . ?
C9 P1 C15 C20 119(2) . . . . ?
C21 P1 C15 C20 -132(2) . . . . ?
Au1 P1 C15 C20 -5(2) . . . . ?
C20 C15 C16 C17 -4(5) . . . . ?
P1 C15 C16 C17 176(3) . . . . ?
C15 C16 C17 C18 3(6) . . . . ?
C16 C17 C18 C19 -1(5) . . . . ?
C17 C18 C19 C20 0(5) . . . . ?
C18 C19 C20 C15 0(5) . . . . ?
C16 C15 C20 C19 2(5) . . . . ?
P1 C15 C20 C19 -178(3) . . . . ?
C9 P1 C21 C22 166.6(19) . . . . ?
C15 P1 C21 C22 60(2) . . . . ?
Au1 P1 C21 C22 -68(2) . . . . ?
P1 C21 C22 P2 67(3) . . . . ?
C29 P2 C22 C21 52(2) . . . . ?
C23 P2 C22 C21 164(2) . . . . ?
Au2 P2 C22 C21 -74(2) . . . . ?
C22 P2 C23 C28 156(2) . . . . ?
C29 P2 C23 C28 -90(2) . . . . ?
Au2 P2 C23 C28 33(2) . . . . ?
C22 P2 C23 C24 -39(3) . . . . ?
C29 P2 C23 C24 75(2) . . . . ?
Au2 P2 C23 C24 -162(2) . . . . ?
C28 C23 C24 C25 -13(4) . . . . ?
P2 C23 C24 C25 -176(2) . . . . ?
C23 C24 C25 C26 18(4) . . . . ?
C24 C25 C26 C27 -20(5) . . . . ?
C25 C26 C27 C28 15(5) . . . . ?
C24 C23 C28 C27 10(5) . . . . ?
P2 C23 C28 C27 173(2) . . . . ?
C26 C27 C28 C23 -10(4) . . . . ?
C22 P2 C29 C30 -133(2) . . . . ?
C23 P2 C29 C30 111(2) . . . . ?
Au2 P2 C29 C30 -9(2) . . . . ?
C22 P2 C29 C34 49(3) . . . . ?
C23 P2 C29 C34 -66(2) . . . . ?
Au2 P2 C29 C34 174(2) . . . . ?
C34 C29 C30 C31 4(4) . . . . ?
P2 C29 C30 C31 -174(2) . . . . ?
C29 C30 C31 C32 -2(5) . . . . ?
C30 C31 C32 C33 -6(5) . . . . ?
C31 C32 C33 C34 14(6) . . . . ?
C32 C33 C34 C29 -13(6) . . . . ?
C30 C29 C34 C33 5(5) . . . . ?
P2 C29 C34 C33 -178(3) . . . . ?
Au3 S3 C35 C36 73(2) . . . . ?
Ni2 S3 C35 C36 -39(2) . . . . ?
Au3 S3 C35 C37 -161.0(15) . . . . ?
Ni2 S3 C35 C37 87.2(17) . . . . ?
Na4 O10 C36 O9 -23(5) 3_677 . . . ?
Na4 O10 C36 C35 159(2) 3_677 . . . ?
Ni2 O9 C36 O10 -178(3) . . . . ?
Na4 O9 C36 O10 -61(4) . . . . ?
Ni2 O9 C36 C35 0(4) . . . . ?
Na4 O9 C36 C35 117(2) . . . . ?
C37 C35 C36 O10 90(3) . . . . ?
S3 C35 C36 O10 -150(3) . . . . ?
C37 C35 C36 O9 -89(3) . . . . ?
S3 C35 C36 O9 32(4) . . . . ?
C36 C35 C37 C38 71(3) . . . . ?
S3 C35 C37 C38 -55(3) . . . . ?
Na3 O12 C38 O11 153.0(19) . . . . ?
Na1 O12 C38 O11 10(3) . . . . ?
Na3 O12 C38 C37 -22(4) . . . . ?
Na1 O12 C38 C37 -164.9(19) . . . . ?
Ni2 O11 C38 O12 -145(2) . . . . ?
Ni2 O11 C38 C37 30(4) . . . . ?
C35 C37 C38 O12 162(2) . . . . ?
C35 C37 C38 O11 -13(4) . . . . ?
Au4 S4 C39 C40 57(2) . . . . ?
Ni2 S4 C39 C40 -46.1(19) . . . . ?
Au4 S4 C39 C41 -174.7(19) . . . . ?
Ni2 S4 C39 C41 82(2) . . . . ?
Ni2 O13 C40 O14 171(2) . . . . ?
Ni2 O13 C40 C39 -9(3) . . . . ?
C41 C39 C40 O14 100(4) . . . . ?
S4 C39 C40 O14 -137(3) . . . . ?
C41 C39 C40 O13 -79(3) . . . . ?
S4 C39 C40 O13 43(3) . . . . ?
C40 C39 C41 C42 52(4) . . . . ?
S4 C39 C41 C42 -73(3) . . . . ?
Ni2 O15 C42 C41 -36(5) . . . . ?
Na4 O15 C42 C41 134(3) . . . . ?
Ni2 O15 C42 O16 166.1(19) . . . . ?
Na4 O15 C42 O16 -24(4) . . . . ?
C39 C41 C42 O15 39(5) . . . . ?
C39 C41 C42 O16 -164(3) . . . . ?
C49 P3 C43 C44 95(3) . . . . ?
C55 P3 C43 C44 -151(2) . . . . ?
Au3 P3 C43 C44 -31(3) . . . . ?
C49 P3 C43 C48 -73(3) . . . . ?
C55 P3 C43 C48 41(3) . . . . ?
Au3 P3 C43 C48 161(2) . . . . ?
C48 C43 C44 C45 3(5) . . . . ?
P3 C43 C44 C45 -166(3) . . . . ?
C43 C44 C45 C46 4(6) . . . . ?
C44 C45 C46 C47 -7(6) . . . . ?
C45 C46 C47 C48 4(5) . . . . ?
C44 C43 C48 C47 -6(4) . . . . ?
P3 C43 C48 C47 163(2) . . . . ?
C46 C47 C48 C43 2(5) . . . . ?
C43 P3 C49 C50 -124(2) . . . . ?
C55 P3 C49 C50 124(2) . . . . ?
Au3 P3 C49 C50 -1(2) . . . . ?
C43 P3 C49 C54 59(2) . . . . ?
C55 P3 C49 C54 -53(2) . . . . ?
Au3 P3 C49 C54 -178.0(17) . . . . ?
C54 C49 C50 C51 -3(4) . . . . ?
P3 C49 C50 C51 180(2) . . . . ?
C49 C50 C51 C52 -1(4) . . . . ?
C50 C51 C52 C53 7(5) . . . . ?
C51 C52 C53 C54 -10(5) . . . . ?
C50 C49 C54 C53 1(4) . . . . ?
P3 C49 C54 C53 178(2) . . . . ?
C52 C53 C54 C49 5(4) . . . . ?
C49 P3 C55 C56 -53(2) . . . . ?
C43 P3 C55 C56 -166.0(19) . . . . ?
Au3 P3 C55 C56 75(2) . . . . ?
P3 C55 C56 P4 -69(2) . . . . ?
C57 P4 C56 C55 -163.8(19) . . . . ?
C63 P4 C56 C55 -55(2) . . . . ?
Au4 P4 C56 C55 72(2) . . . . ?
C63 P4 C57 C58 -101(3) . . . . ?
C56 P4 C57 C58 8(3) . . . . ?
Au4 P4 C57 C58 135(3) . . . . ?
C63 P4 C57 C62 87(2) . . . . ?
C56 P4 C57 C62 -164(2) . . . . ?
Au4 P4 C57 C62 -37(2) . . . . ?
C62 C57 C58 C59 -8(5) . . . . ?
P4 C57 C58 C59 -179(3) . . . . ?
C57 C58 C59 C60 -3(5) . . . . ?
C58 C59 C60 C61 6(5) . . . . ?
C59 C60 C61 C62 4(5) . . . . ?
C60 C61 C62 C57 -16(5) . . . . ?
C58 C57 C62 C61 18(5) . . . . ?
P4 C57 C62 C61 -170(3) . . . . ?
C57 P4 C63 C64 -118(2) . . . . ?
C56 P4 C63 C64 131(2) . . . . ?
Au4 P4 C63 C64 3(3) . . . . ?
C57 P4 C63 C68 67(2) . . . . ?
C56 P4 C63 C68 -43(2) . . . . ?
Au4 P4 C63 C68 -171.2(18) . . . . ?
C68 C63 C64 C65 -1(4) . . . . ?
P4 C63 C64 C65 -175(2) . . . . ?
C63 C64 C65 C66 -5(4) . . . . ?
C64 C65 C66 C67 7(6) . . . . ?
C65 C66 C67 C68 0(6) . . . . ?
C64 C63 C68 C67 8(4) . . . . ?
P4 C63 C68 C67 -178(2) . . . . ?
C66 C67 C68 C63 -7(4) . . . . ?


_refine_diff_density_max         7.194
_refine_diff_density_min         -4.403
_refine_diff_density_rms         0.424

_shelxl_version_number           2014-3


_database_code_depnum_ccdc_archive 'CCDC 1025668'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_Mg[2]

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H30 Au2 Ni O8 P2 S2, C2 H6 Mg O6'
_chemical_formula_sum            'C36 H46 Au2 Mg Ni O14 P2 S2'
_chemical_formula_weight         1305.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      Monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.6713(7)
_cell_length_b                   36.214(2)
_cell_length_c                   18.2046(13)
_cell_angle_alpha                90
_cell_angle_beta                 103.435(7)
_cell_angle_gamma                90
_cell_volume                     6842.7(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    39224
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.61

_exptl_crystal_description       plate
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_F_000             2536
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    4.707
_shelx_estimated_absorpt_T_min   0.453
_shelx_estimated_absorpt_T_max   0.799
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.3392
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'Rigaku, 2014'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              '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            50899
_diffrn_reflns_av_unetI/netI     0.0785
_diffrn_reflns_av_R_equivalents  0.0944
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.012
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             15660
_reflns_number_gt                11968
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'


_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)+(0.1261P)²+5.0066P] 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_number_reflns         15660
_refine_ls_number_parameters     524
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0695
_refine_ls_wR_factor_ref         0.2039
_refine_ls_wR_factor_gt          0.1954
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.020 0.000 0.000 1469 390 ' '
2 -0.084 0.500 0.500 1469 392 ' '
_platon_squeeze_details          
;
;


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 0.73022(3) 0.19341(2) 0.51946(2) 0.03742(11) Uani 1 1 d . . . . .
Au2 Au 0.74263(3) 0.18713(2) 0.36087(2) 0.04161(12) Uani 1 1 d . . . . .
Ni1 Ni 0.75601(10) 0.09528(3) 0.45890(7) 0.0440(3) Uani 1 1 d . . . . .
S1 S 0.85639(19) 0.14112(6) 0.54806(12) 0.0433(5) Uani 1 1 d . . . . .
S2 S 0.6488(2) 0.12947(6) 0.34878(13) 0.0522(5) Uani 1 1 d . . . . .
P1 P 0.60498(19) 0.24431(6) 0.49606(11) 0.0387(4) Uani 1 1 d . . . . .
P2 P 0.82342(19) 0.24534(6) 0.37011(11) 0.0372(4) Uani 1 1 d . . . . .
O1 O 0.6143(5) 0.09600(16) 0.5166(3) 0.0467(14) Uani 1 1 d . . . . .
C1 C 0.7849(9) 0.1183(2) 0.6202(5) 0.051(2) Uani 1 1 d . . . . .
H1 H 0.7821 0.1368 0.6607 0.061 Uiso 1 1 calc R U . . .
O2 O 0.5734(7) 0.1035(2) 0.6296(4) 0.070(2) Uani 1 1 d . . . . .
C2 C 0.6457(9) 0.1052(2) 0.5858(5) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.8574(6) 0.05755(15) 0.5354(4) 0.0510(14) Uani 1 1 d . . . . .
C3 C 0.8724(9) 0.0869(2) 0.6551(5) 0.051(2) Uani 1 1 d . . . . .
H2 H 0.9543 0.0979 0.6835 0.061 Uiso 1 1 calc R U . . .
H3 H 0.8321 0.0747 0.6924 0.061 Uiso 1 1 calc R U . . .
O4 O 0.9843(6) 0.03236(18) 0.6372(4) 0.0628(17) Uani 1 1 d . . . . .
O5 O 0.9042(6) 0.09290(18) 0.4062(4) 0.0567(16) Uani 1 1 d . . . . .
O6 O 0.9570(8) 0.0851(2) 0.2975(5) 0.084(2) Uani 1 1 d . . . . .
O7 O 0.6644(6) 0.05033(17) 0.4012(4) 0.0589(16) Uani 1 1 d . . . . .
O8 O 0.5820(8) 0.0094(2) 0.3131(5) 0.087(2) Uani 1 1 d . . . . .
C4 C 0.9050(8) 0.0577(2) 0.6050(6) 0.051(2) Uani 1 1 d . . . . .
C5 C 0.7364(11) 0.1008(3) 0.2915(6) 0.069(3) Uani 1 1 d . . . . .
H4 H 0.7376 0.1139 0.2433 0.082 Uiso 1 1 calc R U . . .
C6 C 0.8787(10) 0.0928(3) 0.3365(6) 0.055(2) Uani 1 1 d . . . . .
C7 C 0.6619(11) 0.0645(3) 0.2742(6) 0.068(3) Uani 1 1 d . . . . .
H5 H 0.5774 0.0707 0.2407 0.081 Uiso 1 1 calc R U . . .
H6 H 0.7085 0.0493 0.2440 0.081 Uiso 1 1 calc R U . . .
C8 C 0.6357(11) 0.0403(3) 0.3341(6) 0.068(3) Uani 1 1 d . . . . .
C9 C 0.5620(8) 0.2594(3) 0.5822(5) 0.050(2) Uani 1 1 d . . . . .
C10 C 0.5522(10) 0.2950(3) 0.6027(6) 0.062(2) Uani 1 1 d . . . . .
H7 H 0.5698 0.3142 0.5710 0.074 Uiso 1 1 calc R U . . .
C11 C 0.5171(11) 0.3039(4) 0.6691(7) 0.074(3) Uani 1 1 d . . . . .
H8 H 0.5110 0.3290 0.6834 0.088 Uiso 1 1 calc R U . . .
C12 C 0.4915(10) 0.2761(4) 0.7133(6) 0.073(3) Uani 1 1 d . . . . .
H9 H 0.4689 0.2820 0.7594 0.088 Uiso 1 1 calc R U . . .
C13 C 0.4967(10) 0.2423(4) 0.6950(5) 0.065(3) Uani 1 1 d . . . . .
H10 H 0.4739 0.2238 0.7266 0.079 Uiso 1 1 calc R U . . .
C14 C 0.5340(9) 0.2318(4) 0.6316(5) 0.065(3) Uani 1 1 d . . . . .
H11 H 0.5413 0.2064 0.6205 0.078 Uiso 1 1 calc R U . . .
C15 C 0.4535(8) 0.2366(3) 0.4269(4) 0.046(2) Uani 1 1 d . . . . .
C16 C 0.4121(9) 0.2025(4) 0.4088(5) 0.064(3) Uani 1 1 d . . . . .
H12 H 0.4635 0.1824 0.4318 0.076 Uiso 1 1 calc R U . . .
C17 C 0.2972(11) 0.1953(4) 0.3578(7) 0.078(4) Uani 1 1 d . . . . .
H13 H 0.2699 0.1705 0.3465 0.094 Uiso 1 1 calc R U . . .
C18 C 0.2217(12) 0.2246(5) 0.3233(7) 0.092(5) Uani 1 1 d . . . . .
H14 H 0.1425 0.2201 0.2879 0.110 Uiso 1 1 calc R U . . .
C19 C 0.2615(10) 0.2592(5) 0.3402(6) 0.096(6) Uani 1 1 d . . . . .
H15 H 0.2101 0.2793 0.3172 0.116 Uiso 1 1 calc R U . . .
C20 C 0.3825(8) 0.2660(3) 0.3934(5) 0.058(2) Uani 1 1 d . . . . .
H16 H 0.4122 0.2905 0.4049 0.070 Uiso 1 1 calc R U . . .
C21 C 0.6827(9) 0.2848(2) 0.4631(5) 0.047(2) Uani 1 1 d . . . . .
H17 H 0.6262 0.3065 0.4629 0.057 Uiso 1 1 calc R U . . .
H18 H 0.7645 0.2897 0.5004 0.057 Uiso 1 1 calc R U . . .
C22 C 0.7122(8) 0.2818(2) 0.3857(4) 0.0425(18) Uani 1 1 d . . . . .
H19 H 0.7480 0.3058 0.3744 0.051 Uiso 1 1 calc R U . . .
H20 H 0.6296 0.2783 0.3482 0.051 Uiso 1 1 calc R U . . .
C23 C 0.9689(7) 0.2524(3) 0.4441(5) 0.0437(19) Uani 1 1 d . . . . .
C24 C 1.0476(8) 0.2219(3) 0.4681(5) 0.0465(19) Uani 1 1 d . . . . .
H21 H 1.0222 0.1977 0.4505 0.056 Uiso 1 1 calc R U . . .
C25 C 1.1664(8) 0.2285(3) 0.5195(5) 0.052(2) Uani 1 1 d . . . . .
H22 H 1.2248 0.2086 0.5345 0.062 Uiso 1 1 calc R U . . .
C26 C 1.1991(8) 0.2629(4) 0.5483(6) 0.067(3) Uani 1 1 d . . . . .
H23 H 1.2770 0.2661 0.5855 0.080 Uiso 1 1 calc R U . . .
C27 C 1.1225(10) 0.2924(3) 0.5248(6) 0.064(3) Uani 1 1 d . . . . .
H24 H 1.1485 0.3163 0.5439 0.076 Uiso 1 1 calc R U . . .
C28 C 1.0053(8) 0.2877(3) 0.4724(5) 0.052(2) Uani 1 1 d . . . . .
H25 H 0.9507 0.3083 0.4561 0.063 Uiso 1 1 calc R U . . .
C29 C 0.8706(8) 0.2589(3) 0.2847(5) 0.048(2) Uani 1 1 d . . . . .
C30 C 0.8705(9) 0.2328(4) 0.2283(5) 0.068(3) Uani 1 1 d . . . . .
H26 H 0.8351 0.2091 0.2330 0.082 Uiso 1 1 calc R U . . .
C31 C 0.9193(12) 0.2398(6) 0.1667(7) 0.103(6) Uani 1 1 d . . . . .
H27 H 0.9174 0.2219 0.1283 0.123 Uiso 1 1 calc R U . . .
C32 C 0.9719(13) 0.2748(6) 0.1634(8) 0.113(7) Uani 1 1 d . . . . .
H28 H 1.0125 0.2801 0.1234 0.136 Uiso 1 1 calc R U . . .
C33 C 0.9676(11) 0.3020(4) 0.2152(8) 0.085(4) Uani 1 1 d . . . . .
H29 H 0.9975 0.3262 0.2083 0.101 Uiso 1 1 calc R U . . .
C34 C 0.9193(9) 0.2939(3) 0.2779(6) 0.059(3) Uani 1 1 d . . . . .
H30 H 0.9197 0.3120 0.3156 0.071 Uiso 1 1 calc R U . . .
Mg1 Mg 0.2561(3) 0.04503(9) 0.4923(2) 0.0611(9) Uani 1 1 d . . . . .
O9 O 0.3739(6) 0.07705(19) 0.4441(5) 0.071(2) Uani 1 1 d . . . . .
C35A C 0.3511(19) 0.0898(8) 0.3783(15) 0.27(2) Uani 1 1 d . . . . .
H31 H 0.4255 0.1041 0.3714 0.409 Uiso 1 1 calc R U . . .
H32 H 0.3348 0.0694 0.3419 0.409 Uiso 1 1 calc R U . . .
H33 H 0.2752 0.1058 0.3701 0.409 Uiso 1 1 calc R U . . .
O10 O 0.1387(6) 0.09012(18) 0.4999(6) 0.086(3) Uani 1 1 d . . . . .
C36 C 0.1832(13) 0.1268(3) 0.5079(9) 0.101(5) Uani 1 1 d . . . . .
H34 H 0.1202 0.1423 0.5251 0.151 Uiso 1 1 calc R U . . .
H35 H 0.1944 0.1360 0.4592 0.151 Uiso 1 1 calc R U . . .
H36 H 0.2659 0.1278 0.5451 0.151 Uiso 1 1 calc R U . . .
O11 O 0.1361(7) 0.0358(2) 0.3874(5) 0.082(2) Uani 1 1 d . . . . .
O12 O 0.1409(6) 0.01156(18) 0.5425(5) 0.072(2) Uani 1 1 d . . . . .
O13 O 0.3627(6) -0.00221(18) 0.4836(5) 0.072(2) Uani 1 1 d . . . . .
O14 O 0.3671(6) 0.0556(2) 0.5967(5) 0.070(2) 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 2.258(2) . ?
Au1 S1 2.312(2) . ?
Au1 Au2 2.9295(5) . ?
Au2 P2 2.269(2) . ?
Au2 S2 2.304(2) . ?
Ni1 O1 2.031(6) . ?
Ni1 O5 2.033(7) . ?
Ni1 O7 2.057(6) . ?
Ni1 O3 2.068(6) . ?
Ni1 S1 2.394(2) . ?
Ni1 S2 2.407(3) . ?
S1 C1 1.858(9) . ?
S2 C5 1.868(12) . ?
P1 C9 1.817(9) . ?
P1 C15 1.825(9) . ?
P1 C21 1.852(9) . ?
P2 C29 1.810(8) . ?
P2 C23 1.821(8) . ?
P2 C22 1.841(8) . ?
O1 C2 1.271(10) . ?
C1 C3 1.514(12) . ?
C1 C2 1.547(12) . ?
C1 H1 1.0000 . ?
O2 C2 1.233(11) . ?
O3 C4 1.252(11) . ?
C3 C4 1.490(13) . ?
C3 H2 0.9900 . ?
C3 H3 0.9900 . ?
O4 C4 1.292(10) . ?
O5 C6 1.235(11) . ?
O6 C6 1.247(11) . ?
O7 C8 1.242(12) . ?
O8 C8 1.277(12) . ?
C5 C7 1.532(14) . ?
C5 C6 1.575(15) . ?
C5 H4 1.0000 . ?
C7 C8 1.475(15) . ?
C7 H5 0.9900 . ?
C7 H6 0.9900 . ?
C9 C10 1.353(14) . ?
C9 C14 1.423(14) . ?
C10 C11 1.386(15) . ?
C10 H7 0.9500 . ?
C11 C12 1.356(17) . ?
C11 H8 0.9500 . ?
C12 C13 1.276(17) . ?
C12 H9 0.9500 . ?
C13 C14 1.358(13) . ?
C13 H10 0.9500 . ?
C14 H11 0.9500 . ?
C15 C16 1.325(14) . ?
C15 C20 1.366(13) . ?
C16 C17 1.381(14) . ?
C16 H12 0.9500 . ?
C17 C18 1.39(2) . ?
C17 H13 0.9500 . ?
C18 C19 1.34(2) . ?
C18 H14 0.9500 . ?
C19 C20 1.444(15) . ?
C19 H15 0.9500 . ?
C20 H16 0.9500 . ?
C21 C22 1.517(12) . ?
C21 H17 0.9900 . ?
C21 H18 0.9900 . ?
C22 H19 0.9900 . ?
C22 H20 0.9900 . ?
C23 C24 1.393(12) . ?
C23 C28 1.400(13) . ?
C24 C25 1.411(12) . ?
C24 H21 0.9500 . ?
C25 C26 1.364(15) . ?
C25 H22 0.9500 . ?
C26 C27 1.353(15) . ?
C26 H23 0.9500 . ?
C27 C28 1.396(13) . ?
C27 H24 0.9500 . ?
C28 H25 0.9500 . ?
C29 C30 1.395(15) . ?
C29 C34 1.385(14) . ?
C30 C31 1.366(15) . ?
C30 H26 0.9500 . ?
C31 C32 1.39(2) . ?
C31 H27 0.9500 . ?
C32 C33 1.37(2) . ?
C32 H28 0.9500 . ?
C33 C34 1.388(13) . ?
C33 H29 0.9500 . ?
C34 H30 0.9500 . ?
Mg1 O14 2.028(9) . ?
Mg1 O9 2.052(8) . ?
Mg1 O11 2.065(9) . ?
Mg1 O10 2.082(7) . ?
Mg1 O12 2.082(8) . ?
Mg1 O13 2.081(7) . ?
O9 C35A 1.25(2) . ?
C35A H31 0.9800 . ?
C35A H32 0.9800 . ?
C35A H33 0.9800 . ?
O10 C36 1.408(14) . ?
C36 H34 0.9800 . ?
C36 H35 0.9800 . ?
C36 H36 0.9800 . ?

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 177.71(7) . . ?
P1 Au1 Au2 92.16(5) . . ?
S1 Au1 Au2 90.06(5) . . ?
P2 Au2 S2 176.66(8) . . ?
P2 Au2 Au1 87.61(5) . . ?
S2 Au2 Au1 92.66(6) . . ?
O1 Ni1 O5 176.7(3) . . ?
O1 Ni1 O7 87.2(3) . . ?
O5 Ni1 O7 93.2(3) . . ?
O1 Ni1 O3 89.8(3) . . ?
O5 Ni1 O3 87.0(3) . . ?
O7 Ni1 O3 86.1(3) . . ?
O1 Ni1 S1 84.85(17) . . ?
O5 Ni1 S1 94.3(2) . . ?
O7 Ni1 S1 168.4(2) . . ?
O3 Ni1 S1 85.42(17) . . ?
O1 Ni1 S2 99.04(18) . . ?
O5 Ni1 S2 84.3(2) . . ?
O7 Ni1 S2 84.5(2) . . ?
O3 Ni1 S2 166.80(19) . . ?
S1 Ni1 S2 105.03(9) . . ?
C1 S1 Au1 102.1(3) . . ?
C1 S1 Ni1 88.8(3) . . ?
Au1 S1 Ni1 105.66(8) . . ?
C5 S2 Au2 107.1(4) . . ?
C5 S2 Ni1 88.7(4) . . ?
Au2 S2 Ni1 105.95(9) . . ?
C9 P1 C15 106.3(4) . . ?
C9 P1 C21 105.3(4) . . ?
C15 P1 C21 106.8(4) . . ?
C9 P1 Au1 109.8(3) . . ?
C15 P1 Au1 113.3(3) . . ?
C21 P1 Au1 114.6(3) . . ?
C29 P2 C23 103.8(4) . . ?
C29 P2 C22 104.8(4) . . ?
C23 P2 C22 104.8(4) . . ?
C29 P2 Au2 111.4(3) . . ?
C23 P2 Au2 115.4(3) . . ?
C22 P2 Au2 115.5(3) . . ?
C2 O1 Ni1 117.4(5) . . ?
C3 C1 C2 112.2(7) . . ?
C3 C1 S1 108.4(7) . . ?
C2 C1 S1 111.4(6) . . ?
C3 C1 H1 108.2 . . ?
C2 C1 H1 108.2 . . ?
S1 C1 H1 108.2 . . ?
O2 C2 O1 124.6(9) . . ?
O2 C2 C1 116.1(8) . . ?
O1 C2 C1 119.2(8) . . ?
C4 O3 Ni1 134.8(6) . . ?
C4 C3 C1 119.1(8) . . ?
C4 C3 H2 107.5 . . ?
C1 C3 H2 107.5 . . ?
C4 C3 H3 107.5 . . ?
C1 C3 H3 107.5 . . ?
H2 C3 H3 107.0 . . ?
C6 O5 Ni1 118.4(6) . . ?
C8 O7 Ni1 135.4(7) . . ?
O3 C4 O4 121.7(9) . . ?
O3 C4 C3 121.6(8) . . ?
O4 C4 C3 116.7(8) . . ?
C7 C5 C6 109.8(9) . . ?
C7 C5 S2 106.8(8) . . ?
C6 C5 S2 111.1(6) . . ?
C7 C5 H4 109.7 . . ?
C6 C5 H4 109.7 . . ?
S2 C5 H4 109.7 . . ?
O5 C6 O6 124.7(10) . . ?
O5 C6 C5 119.3(8) . . ?
O6 C6 C5 116.0(9) . . ?
C8 C7 C5 122.4(9) . . ?
C8 C7 H5 106.7 . . ?
C5 C7 H5 106.7 . . ?
C8 C7 H6 106.7 . . ?
C5 C7 H6 106.7 . . ?
H5 C7 H6 106.6 . . ?
O7 C8 O8 122.8(11) . . ?
O7 C8 C7 120.6(9) . . ?
O8 C8 C7 116.6(10) . . ?
C10 C9 C14 117.0(9) . . ?
C10 C9 P1 125.1(8) . . ?
C14 C9 P1 117.8(8) . . ?
C9 C10 C11 121.1(11) . . ?
C9 C10 H7 119.4 . . ?
C11 C10 H7 119.4 . . ?
C12 C11 C10 118.5(11) . . ?
C12 C11 H8 120.7 . . ?
C10 C11 H8 120.7 . . ?
C13 C12 C11 122.1(10) . . ?
C13 C12 H9 118.9 . . ?
C11 C12 H9 118.9 . . ?
C12 C13 C14 122.0(12) . . ?
C12 C13 H10 119.0 . . ?
C14 C13 H10 119.0 . . ?
C13 C14 C9 119.1(12) . . ?
C13 C14 H11 120.4 . . ?
C9 C14 H11 120.4 . . ?
C16 C15 C20 119.8(9) . . ?
C16 C15 P1 120.3(8) . . ?
C20 C15 P1 120.0(8) . . ?
C15 C16 C17 122.5(12) . . ?
C15 C16 H12 118.8 . . ?
C17 C16 H12 118.8 . . ?
C16 C17 C18 119.3(12) . . ?
C16 C17 H13 120.4 . . ?
C18 C17 H13 120.4 . . ?
C19 C18 C17 119.4(12) . . ?
C19 C18 H14 120.3 . . ?
C17 C18 H14 120.3 . . ?
C18 C19 C20 120.2(13) . . ?
C18 C19 H15 119.9 . . ?
C20 C19 H15 119.9 . . ?
C15 C20 C19 118.9(12) . . ?
C15 C20 H16 120.6 . . ?
C19 C20 H16 120.6 . . ?
C22 C21 P1 116.8(6) . . ?
C22 C21 H17 108.1 . . ?
P1 C21 H17 108.1 . . ?
C22 C21 H18 108.1 . . ?
P1 C21 H18 108.1 . . ?
H17 C21 H18 107.3 . . ?
C21 C22 P2 118.3(6) . . ?
C21 C22 H19 107.7 . . ?
P2 C22 H19 107.7 . . ?
C21 C22 H20 107.7 . . ?
P2 C22 H20 107.7 . . ?
H19 C22 H20 107.1 . . ?
C24 C23 C28 120.8(8) . . ?
C24 C23 P2 118.0(7) . . ?
C28 C23 P2 121.0(7) . . ?
C23 C24 C25 117.2(9) . . ?
C23 C24 H21 121.4 . . ?
C25 C24 H21 121.4 . . ?
C26 C25 C24 121.3(9) . . ?
C26 C25 H22 119.3 . . ?
C24 C25 H22 119.3 . . ?
C27 C26 C25 121.1(9) . . ?
C27 C26 H23 119.4 . . ?
C25 C26 H23 119.4 . . ?
C26 C27 C28 120.0(10) . . ?
C26 C27 H24 120.0 . . ?
C28 C27 H24 120.0 . . ?
C27 C28 C23 119.3(9) . . ?
C27 C28 H25 120.3 . . ?
C23 C28 H25 120.3 . . ?
C30 C29 C34 119.4(9) . . ?
C30 C29 P2 119.7(8) . . ?
C34 C29 P2 120.6(7) . . ?
C31 C30 C29 122.8(14) . . ?
C31 C30 H26 118.6 . . ?
C29 C30 H26 118.6 . . ?
C30 C31 C32 116.1(16) . . ?
C30 C31 H27 122.0 . . ?
C32 C31 H27 122.0 . . ?
C33 C32 C31 123.0(12) . . ?
C33 C32 H28 118.5 . . ?
C31 C32 H28 118.5 . . ?
C32 C33 C34 119.5(13) . . ?
C32 C33 H29 120.3 . . ?
C34 C33 H29 120.3 . . ?
C33 C34 C29 119.0(12) . . ?
C33 C34 H30 120.5 . . ?
C29 C34 H30 120.5 . . ?
O14 Mg1 O9 90.7(3) . . ?
O14 Mg1 O11 177.2(4) . . ?
O9 Mg1 O11 90.3(4) . . ?
O14 Mg1 O10 91.1(4) . . ?
O9 Mg1 O10 91.3(3) . . ?
O11 Mg1 O10 86.2(3) . . ?
O14 Mg1 O12 88.6(3) . . ?
O9 Mg1 O12 178.4(3) . . ?
O11 Mg1 O12 90.5(3) . . ?
O10 Mg1 O12 90.1(3) . . ?
O14 Mg1 O13 90.9(3) . . ?
O9 Mg1 O13 91.8(3) . . ?
O11 Mg1 O13 91.7(3) . . ?
O10 Mg1 O13 176.2(3) . . ?
O12 Mg1 O13 86.8(3) . . ?
C35A O9 Mg1 127.9(11) . . ?
O9 C35A H31 109.5 . . ?
O9 C35A H32 109.5 . . ?
H31 C35A H32 109.5 . . ?
O9 C35A H33 109.5 . . ?
H31 C35A H33 109.5 . . ?
H32 C35A H33 109.5 . . ?
C36 O10 Mg1 123.7(7) . . ?
O10 C36 H34 109.5 . . ?
O10 C36 H35 109.5 . . ?
H34 C36 H35 109.5 . . ?
O10 C36 H36 109.5 . . ?
H34 C36 H36 109.5 . . ?
H35 C36 H36 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C1 C3 -170.0(6) . . . . ?
Ni1 S1 C1 C3 84.3(6) . . . . ?
Au1 S1 C1 C2 66.1(6) . . . . ?
Ni1 S1 C1 C2 -39.7(6) . . . . ?
Ni1 O1 C2 O2 -172.8(7) . . . . ?
Ni1 O1 C2 C1 5.2(10) . . . . ?
C3 C1 C2 O2 86.1(10) . . . . ?
S1 C1 C2 O2 -152.1(7) . . . . ?
C3 C1 C2 O1 -92.1(10) . . . . ?
S1 C1 C2 O1 29.7(10) . . . . ?
C2 C1 C3 C4 67.4(11) . . . . ?
S1 C1 C3 C4 -56.1(10) . . . . ?
Ni1 O3 C4 O4 -167.4(6) . . . . ?
Ni1 O3 C4 C3 13.0(13) . . . . ?
C1 C3 C4 O3 -3.3(13) . . . . ?
C1 C3 C4 O4 177.1(8) . . . . ?
Au2 S2 C5 C7 -172.2(6) . . . . ?
Ni1 S2 C5 C7 81.6(7) . . . . ?
Au2 S2 C5 C6 68.2(7) . . . . ?
Ni1 S2 C5 C6 -38.1(7) . . . . ?
Ni1 O5 C6 O6 -167.0(8) . . . . ?
Ni1 O5 C6 C5 9.7(12) . . . . ?
C7 C5 C6 O5 -92.0(11) . . . . ?
S2 C5 C6 O5 25.9(12) . . . . ?
C7 C5 C6 O6 85.1(12) . . . . ?
S2 C5 C6 O6 -157.1(8) . . . . ?
C6 C5 C7 C8 63.8(14) . . . . ?
S2 C5 C7 C8 -56.7(13) . . . . ?
Ni1 O7 C8 O8 176.7(7) . . . . ?
Ni1 O7 C8 C7 -3.7(16) . . . . ?
C5 C7 C8 O7 6.0(17) . . . . ?
C5 C7 C8 O8 -174.4(11) . . . . ?
C15 P1 C9 C10 -94.5(9) . . . . ?
C21 P1 C9 C10 18.6(10) . . . . ?
Au1 P1 C9 C10 142.5(8) . . . . ?
C15 P1 C9 C14 84.3(8) . . . . ?
C21 P1 C9 C14 -162.6(7) . . . . ?
Au1 P1 C9 C14 -38.7(8) . . . . ?
C14 C9 C10 C11 0.3(15) . . . . ?
P1 C9 C10 C11 179.1(8) . . . . ?
C9 C10 C11 C12 -0.5(17) . . . . ?
C10 C11 C12 C13 -1.2(17) . . . . ?
C11 C12 C13 C14 3.1(17) . . . . ?
C12 C13 C14 C9 -3.1(16) . . . . ?
C10 C9 C14 C13 1.4(14) . . . . ?
P1 C9 C14 C13 -177.5(8) . . . . ?
C9 P1 C15 C16 -105.1(8) . . . . ?
C21 P1 C15 C16 142.8(7) . . . . ?
Au1 P1 C15 C16 15.6(8) . . . . ?
C9 P1 C15 C20 75.1(8) . . . . ?
C21 P1 C15 C20 -37.0(8) . . . . ?
Au1 P1 C15 C20 -164.2(6) . . . . ?
C20 C15 C16 C17 -1.3(14) . . . . ?
P1 C15 C16 C17 178.8(7) . . . . ?
C15 C16 C17 C18 0.6(16) . . . . ?
C16 C17 C18 C19 -0.2(18) . . . . ?
C17 C18 C19 C20 0.6(18) . . . . ?
C16 C15 C20 C19 1.6(13) . . . . ?
P1 C15 C20 C19 -178.5(7) . . . . ?
C18 C19 C20 C15 -1.3(15) . . . . ?
C9 P1 C21 C22 -171.7(6) . . . . ?
C15 P1 C21 C22 -59.0(7) . . . . ?
Au1 P1 C21 C22 67.4(7) . . . . ?
P1 C21 C22 P2 -61.2(8) . . . . ?
C29 P2 C22 C21 -163.6(7) . . . . ?
C23 P2 C22 C21 -54.7(7) . . . . ?
Au2 P2 C22 C21 73.4(7) . . . . ?
C29 P2 C23 C24 -97.0(7) . . . . ?
C22 P2 C23 C24 153.3(6) . . . . ?
Au2 P2 C23 C24 25.1(7) . . . . ?
C29 P2 C23 C28 78.7(8) . . . . ?
C22 P2 C23 C28 -31.0(8) . . . . ?
Au2 P2 C23 C28 -159.2(6) . . . . ?
C28 C23 C24 C25 -2.2(12) . . . . ?
P2 C23 C24 C25 173.5(6) . . . . ?
C23 C24 C25 C26 4.1(13) . . . . ?
C24 C25 C26 C27 -4.4(15) . . . . ?
C25 C26 C27 C28 2.6(16) . . . . ?
C26 C27 C28 C23 -0.7(14) . . . . ?
C24 C23 C28 C27 0.6(13) . . . . ?
P2 C23 C28 C27 -175.0(7) . . . . ?
C23 P2 C29 C30 116.4(8) . . . . ?
C22 P2 C29 C30 -133.9(7) . . . . ?
Au2 P2 C29 C30 -8.3(8) . . . . ?
C23 P2 C29 C34 -56.9(8) . . . . ?
C22 P2 C29 C34 52.7(8) . . . . ?
Au2 P2 C29 C34 178.3(6) . . . . ?
C34 C29 C30 C31 1.4(15) . . . . ?
P2 C29 C30 C31 -172.0(8) . . . . ?
C29 C30 C31 C32 1.0(17) . . . . ?
C30 C31 C32 C33 -4.7(18) . . . . ?
C31 C32 C33 C34 5.9(19) . . . . ?
C32 C33 C34 C29 -3.2(16) . . . . ?
C30 C29 C34 C33 -0.3(14) . . . . ?
P2 C29 C34 C33 173.0(8) . . . . ?

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
C35A H31 S2 0.98 2.67 3.64(2) 168.2 .


_refine_diff_density_max         3.952
_refine_diff_density_min         -3.077
_refine_diff_density_rms         0.218

_shelxl_version_number           2014-3


_database_code_depnum_ccdc_archive 'CCDC 1025669'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_[3]

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C71 H71 Au4 Ni3 O19 P4 S4, 5(C H3 O)'
_chemical_formula_sum            'C76 H93 Au4 Ni3 O24 P4 S4'
_chemical_formula_weight         2606.61

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.826(3)
_cell_length_b                   16.846(4)
_cell_length_c                   23.146(6)
_cell_angle_alpha                84.218(6)
_cell_angle_beta                 78.427(6)
_cell_angle_gamma                71.545(5)
_cell_volume                     4281.6(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    13546
_cell_measurement_theta_min      3.01
_cell_measurement_theta_max      27.57

_exptl_crystal_description       plate
_exptl_crystal_colour            'yellowish green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.022
_exptl_crystal_F_000             2530
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    7.716
_shelx_estimated_absorpt_T_min   0.512
_shelx_estimated_absorpt_T_max   0.927
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.5557
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'Rigaku, 2014'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_type              '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            34701
_diffrn_reflns_av_unetI/netI     0.1182
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.030
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             19348
_reflns_number_gt                12241
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2014)'
_computing_molecular_graphics    'CrystalStructure 4.1'

_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)+(0.0386P)²+10.9332P] 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_number_reflns         19348
_refine_ls_number_parameters     994
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1257
_refine_ls_R_factor_gt           0.0683
_refine_ls_wR_factor_ref         0.1266
_refine_ls_wR_factor_gt          0.1117
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_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 0.37971(3) 0.80619(3) 0.25821(2) 0.03659(11) Uani 1 1 d . . . . .
Au2 Au 0.52729(3) 0.62249(2) 0.25169(2) 0.03539(11) Uani 1 1 d . . . . .
Au3 Au 0.76465(3) 1.01220(3) 0.28182(2) 0.03984(12) Uani 1 1 d . . . . .
Au4 Au 0.52694(3) 0.98344(3) 0.28261(2) 0.03979(12) Uani 1 1 d . . . . .
Ni1 Ni 0.68564(10) 0.75575(8) 0.15292(6) 0.0348(3) Uani 1 1 d . . . . .
Ni2 Ni 0.77431(10) 0.77130(8) 0.28003(6) 0.0358(3) Uani 1 1 d . . . . .
Ni3 Ni 0.89264(11) 0.75917(9) 0.04815(6) 0.0438(4) Uani 1 1 d . . . . .
S1 S 0.5010(2) 0.86256(17) 0.18480(12) 0.0382(6) Uani 1 1 d . . . . .
S2 S 0.6911(2) 0.67313(16) 0.24323(11) 0.0346(6) Uani 1 1 d . . . . .
S3 S 0.8801(2) 0.87208(16) 0.27758(12) 0.0402(7) Uani 1 1 d . . . . .
S4 S 0.5805(2) 0.85197(17) 0.32586(12) 0.0383(6) Uani 1 1 d . . . . .
P1 P 0.2530(2) 0.75798(17) 0.33017(12) 0.0356(6) Uani 1 1 d . . . . .
P2 P 0.3744(2) 0.56860(17) 0.25274(12) 0.0364(7) Uani 1 1 d . . . . .
P3 P 0.6772(2) 1.15169(18) 0.29461(13) 0.0427(7) Uani 1 1 d . . . . .
P4 P 0.4539(2) 1.10451(18) 0.23289(13) 0.0440(7) Uani 1 1 d . . . . .
O1 O 0.5811(6) 0.7066(4) 0.1157(3) 0.0438(18) Uani 1 1 d . . . . .
O2 O 0.4056(7) 0.7384(5) 0.0839(4) 0.079(3) Uani 1 1 d . . . . .
O3 O 0.7120(6) 0.8224(4) 0.0744(3) 0.0424(18) Uani 1 1 d . . . . .
O4 O 0.6791(6) 0.9041(5) -0.0059(3) 0.056(2) Uani 1 1 d . . . . .
O5 O 0.8458(5) 0.6760(4) 0.1115(3) 0.0397(17) Uani 1 1 d . . . . .
O6 O 1.0005(8) 0.5607(5) 0.0865(4) 0.089(3) Uani 1 1 d . . . . .
O7 O 0.9298(5) 0.6785(4) 0.2549(3) 0.0435(19) Uani 1 1 d . . . . .
O8 O 1.0328(6) 0.5472(5) 0.2388(5) 0.085(3) Uani 1 1 d . . . . .
O9 O 0.7872(5) 0.8111(4) 0.1883(3) 0.0325(16) Uani 1 1 d . . . . .
O10 O 0.9313(5) 0.8184(4) 0.1113(3) 0.0396(17) Uani 1 1 d . . . . .
O11 O 1.1958(10) 0.8034(8) 0.1430(5) 0.112(4) Uani 1 1 d . . . . .
H86 H 1.2563 0.7860 0.1163 0.168 Uiso 1 1 calc R U . . .
O12 O 1.1584(11) 0.9151(9) 0.0855(5) 0.113(5) Uani 1 1 d . . . . .
O13 O 0.7815(6) 0.7280(4) 0.3659(3) 0.0490(19) Uani 1 1 d . . . . .
O14 O 0.7237(7) 0.7533(5) 0.4612(3) 0.064(2) Uani 1 1 d . . . . .
O15 O 0.3464(7) 1.0059(5) 0.4494(4) 0.071(3) Uani 1 1 d . . . . .
H1 H 0.3196 1.0582 0.4449 0.107 Uiso 1 1 calc R U . . .
O16 O 0.5237(7) 1.0300(5) 0.4238(3) 0.062(2) Uani 1 1 d . . . . .
C1 C 0.4525(9) 0.8500(7) 0.1171(5) 0.044(3) Uani 1 1 d . . . . .
H2 H 0.3624 0.8748 0.1233 0.053 Uiso 1 1 calc R U . . .
C2 C 0.4820(10) 0.7581(8) 0.1045(5) 0.053(3) Uani 1 1 d . . . . .
C3 C 0.5066(9) 0.9000(7) 0.0649(5) 0.049(3) Uani 1 1 d . . . . .
H3 H 0.4660 0.9003 0.0314 0.059 Uiso 1 1 calc R U . . .
H4 H 0.4832 0.9587 0.0767 0.059 Uiso 1 1 calc R U . . .
C4 C 0.6416(9) 0.8730(7) 0.0418(5) 0.044(3) Uani 1 1 d . . . . .
C5 C 0.8278(7) 0.5851(6) 0.2301(5) 0.036(3) Uani 1 1 d . . . . .
H5 H 0.8146 0.5401 0.2599 0.043 Uiso 1 1 calc R U . . .
C6 C 0.9372(9) 0.6056(7) 0.2426(5) 0.043(3) Uani 1 1 d . . . . .
C7 C 0.8527(9) 0.5475(6) 0.1690(5) 0.047(3) Uani 1 1 d . . . . .
H6 H 0.9106 0.4903 0.1701 0.056 Uiso 1 1 calc R U . . .
H7 H 0.7761 0.5424 0.1610 0.056 Uiso 1 1 calc R U . . .
C8 C 0.9026(10) 0.5976(8) 0.1198(5) 0.050(3) Uani 1 1 d . . . . .
C9 C 0.9506(9) 0.8564(8) 0.2015(5) 0.062(4) Uani 1 1 d . . . . .
H8 H 1.0124 0.8014 0.2076 0.074 Uiso 1 1 calc R U . . .
C10 C 0.8853(8) 0.8263(6) 0.1644(5) 0.037(3) Uani 1 1 d . . . . .
C11 C 1.0313(14) 0.9000(13) 0.1755(6) 0.122(8) Uani 1 1 d . . . . .
H9 H 1.0742 0.9028 0.2075 0.147 Uiso 1 1 calc R U . . .
H10 H 0.9789 0.9579 0.1693 0.147 Uiso 1 1 calc R U . . .
C12 C 1.1213(13) 0.8862(11) 0.1250(8) 0.076(4) Uani 1 1 d . . . . .
C13 C 0.6285(8) 0.8582(6) 0.3947(4) 0.037(2) Uani 1 1 d . . . . .
H11 H 0.6745 0.8999 0.3881 0.045 Uiso 1 1 calc R U . . .
C14 C 0.7160(10) 0.7726(8) 0.4099(6) 0.051(3) Uani 1 1 d . . . . .
C15 C 0.5217(9) 0.8886(6) 0.4440(5) 0.048(3) Uani 1 1 d . . . . .
H12 H 0.5492 0.8747 0.4825 0.058 Uiso 1 1 calc R U . . .
H13 H 0.4608 0.8599 0.4432 0.058 Uiso 1 1 calc R U . . .
C16 C 0.4648(10) 0.9824(8) 0.4371(4) 0.047(3) Uani 1 1 d . . . . .
C17 C 0.1383(9) 0.8423(6) 0.3711(5) 0.040(3) Uani 1 1 d . . . . .
C18 C 0.1634(11) 0.9132(8) 0.3782(6) 0.068(4) Uani 1 1 d . . . . .
H14 H 0.2408 0.9186 0.3609 0.081 Uiso 1 1 calc R U . . .
C19 C 0.0790(16) 0.9784(9) 0.4101(7) 0.098(5) Uani 1 1 d . . . . .
H15 H 0.0979 1.0283 0.4137 0.118 Uiso 1 1 calc R U . . .
C20 C -0.0311(14) 0.9707(11) 0.4361(7) 0.091(5) Uani 1 1 d . . . . .
H16 H -0.0896 1.0153 0.4578 0.110 Uiso 1 1 calc R U . . .
C21 C -0.0576(10) 0.8981(11) 0.4309(5) 0.075(4) Uani 1 1 d . . . . .
H17 H -0.1341 0.8924 0.4493 0.090 Uiso 1 1 calc R U . . .
C22 C 0.0281(9) 0.8332(8) 0.3988(5) 0.053(3) Uani 1 1 d . . . . .
H18 H 0.0107 0.7826 0.3959 0.064 Uiso 1 1 calc R U . . .
C23 C 0.3259(9) 0.6903(6) 0.3869(5) 0.041(3) Uani 1 1 d . . . . .
C24 C 0.4343(10) 0.6946(7) 0.3965(5) 0.054(3) Uani 1 1 d . . . . .
H19 H 0.4739 0.7293 0.3709 0.065 Uiso 1 1 calc R U . . .
C25 C 0.4870(12) 0.6496(8) 0.4425(6) 0.070(4) Uani 1 1 d . . . . .
H20 H 0.5631 0.6523 0.4481 0.084 Uiso 1 1 calc R U . . .
C26 C 0.4280(14) 0.6008(8) 0.4801(7) 0.078(4) Uani 1 1 d . . . . .
H21 H 0.4621 0.5710 0.5128 0.093 Uiso 1 1 calc R U . . .
C27 C 0.3193(13) 0.5953(7) 0.4704(5) 0.063(3) Uani 1 1 d . . . . .
H22 H 0.2798 0.5598 0.4950 0.076 Uiso 1 1 calc R U . . .
C28 C 0.2697(11) 0.6418(7) 0.4250(5) 0.058(3) Uani 1 1 d . . . . .
H23 H 0.1928 0.6403 0.4197 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3536(8) 0.4968(6) 0.3155(4) 0.036(2) Uani 1 1 d . . . . .
C30 C 0.2430(10) 0.4827(7) 0.3356(6) 0.058(3) Uani 1 1 d . . . . .
H24 H 0.1744 0.5115 0.3180 0.070 Uiso 1 1 calc R U . . .
C31 C 0.2353(13) 0.4254(9) 0.3820(6) 0.075(4) Uani 1 1 d . . . . .
H25 H 0.1603 0.4147 0.3966 0.089 Uiso 1 1 calc R U . . .
C32 C 0.3355(13) 0.3831(8) 0.4079(5) 0.066(4) Uani 1 1 d . . . . .
H26 H 0.3287 0.3440 0.4400 0.080 Uiso 1 1 calc R U . . .
C33 C 0.4426(12) 0.3977(7) 0.3872(5) 0.054(3) Uani 1 1 d . . . . .
H27 H 0.5117 0.3682 0.4042 0.065 Uiso 1 1 calc R U . . .
C34 C 0.4515(9) 0.4553(7) 0.3413(5) 0.043(3) Uani 1 1 d . . . . .
H28 H 0.5264 0.4665 0.3275 0.052 Uiso 1 1 calc R U . . .
C35 C 0.3965(8) 0.5128(7) 0.1866(5) 0.042(3) Uani 1 1 d . . . . .
C36 C 0.3367(10) 0.4548(8) 0.1845(6) 0.067(4) Uani 1 1 d . . . . .
H29 H 0.2875 0.4403 0.2191 0.080 Uiso 1 1 calc R U . . .
C37 C 0.3489(12) 0.4178(9) 0.1317(7) 0.077(4) Uani 1 1 d . . . . .
H30 H 0.3078 0.3781 0.1302 0.092 Uiso 1 1 calc R U . . .
C38 C 0.4169(13) 0.4374(10) 0.0838(7) 0.077(4) Uani 1 1 d . . . . .
H31 H 0.4276 0.4107 0.0481 0.093 Uiso 1 1 calc R U . . .
C39 C 0.4709(13) 0.4955(10) 0.0859(6) 0.085(5) Uani 1 1 d . . . . .
H32 H 0.5183 0.5100 0.0507 0.102 Uiso 1 1 calc R U . . .
C40 C 0.4612(11) 0.5347(8) 0.1359(5) 0.057(3) Uani 1 1 d . . . . .
H33 H 0.4992 0.5767 0.1353 0.068 Uiso 1 1 calc R U . . .
C41 C 0.1674(8) 0.7010(7) 0.3031(5) 0.045(3) Uani 1 1 d . . . . .
H34 H 0.1433 0.6636 0.3358 0.054 Uiso 1 1 calc R U . . .
H35 H 0.0920 0.7422 0.2937 0.054 Uiso 1 1 calc R U . . .
C42 C 0.2294(7) 0.6483(6) 0.2495(4) 0.039(3) Uani 1 1 d . . . . .
H36 H 0.2416 0.6869 0.2153 0.047 Uiso 1 1 calc R U . . .
H37 H 0.1728 0.6201 0.2413 0.047 Uiso 1 1 calc R U . . .
C43 C 0.7103(9) 1.2177(7) 0.2323(5) 0.044(3) Uani 1 1 d . . . . .
C44 C 0.7836(9) 1.1854(8) 0.1799(5) 0.056(3) Uani 1 1 d . . . . .
H38 H 0.8143 1.1266 0.1754 0.067 Uiso 1 1 calc R U . . .
C45 C 0.8109(11) 1.2389(10) 0.1351(6) 0.070(4) Uani 1 1 d . . . . .
H39 H 0.8644 1.2160 0.1003 0.084 Uiso 1 1 calc R U . . .
C46 C 0.7647(12) 1.3241(10) 0.1380(7) 0.078(4) Uani 1 1 d . . . . .
H40 H 0.7826 1.3597 0.1053 0.094 Uiso 1 1 calc R U . . .
C47 C 0.6916(13) 1.3567(9) 0.1895(7) 0.092(5) Uani 1 1 d . . . . .
H41 H 0.6606 1.4156 0.1935 0.111 Uiso 1 1 calc R U . . .
C48 C 0.6641(11) 1.3045(8) 0.2344(6) 0.073(4) Uani 1 1 d . . . . .
H42 H 0.6108 1.3281 0.2691 0.088 Uiso 1 1 calc R U . . .
C49 C 0.7326(9) 1.1823(7) 0.3539(5) 0.050(3) Uani 1 1 d . . . . .
C50 C 0.8132(11) 1.2273(8) 0.3450(7) 0.075(4) Uani 1 1 d . . . . .
H43 H 0.8392 1.2465 0.3061 0.089 Uiso 1 1 calc R U . . .
C51 C 0.8581(13) 1.2457(11) 0.3916(8) 0.096(5) Uani 1 1 d . . . . .
H44 H 0.9147 1.2765 0.3847 0.116 Uiso 1 1 calc R U . . .
C52 C 0.8195(12) 1.2191(9) 0.4462(7) 0.074(4) Uani 1 1 d . . . . .
H45 H 0.8487 1.2322 0.4783 0.088 Uiso 1 1 calc R U . . .
C53 C 0.7419(12) 1.1752(10) 0.4569(6) 0.081(4) Uani 1 1 d . . . . .
H46 H 0.7175 1.1557 0.4960 0.097 Uiso 1 1 calc R U . . .
C54 C 0.6966(10) 1.1580(8) 0.4102(7) 0.068(4) Uani 1 1 d . . . . .
H47 H 0.6386 1.1284 0.4180 0.082 Uiso 1 1 calc R U . . .
C55 C 0.5429(10) 1.1127(8) 0.1618(5) 0.053(3) Uani 1 1 d . . . . .
C56 C 0.6354(9) 1.0431(8) 0.1385(5) 0.053(3) Uani 1 1 d . . . . .
H48 H 0.6535 0.9914 0.1607 0.063 Uiso 1 1 calc R U . . .
C57 C 0.7000(11) 1.0503(10) 0.0831(6) 0.074(5) Uani 1 1 d . . . . .
H49 H 0.7646 1.0031 0.0681 0.089 Uiso 1 1 calc R U . . .
C58 C 0.6762(12) 1.1215(11) 0.0489(6) 0.070(4) Uani 1 1 d . . . . .
H50 H 0.7210 1.1240 0.0101 0.084 Uiso 1 1 calc R U . . .
C59 C 0.5867(14) 1.1885(10) 0.0716(7) 0.085(4) Uani 1 1 d . . . . .
H51 H 0.5699 1.2395 0.0486 0.101 Uiso 1 1 calc R U . . .
C60 C 0.5182(11) 1.1852(9) 0.1277(6) 0.079(4) Uani 1 1 d . . . . .
H52 H 0.4543 1.2332 0.1422 0.095 Uiso 1 1 calc R U . . .
C61 C 0.3057(9) 1.1082(7) 0.2212(5) 0.049(3) Uani 1 1 d . . . . .
C62 C 0.2741(11) 1.1128(10) 0.1680(6) 0.085(5) Uani 1 1 d . . . . .
H53 H 0.3280 1.1214 0.1333 0.102 Uiso 1 1 calc R U . . .
C63 C 0.1646(15) 1.1052(12) 0.1640(8) 0.113(6) Uani 1 1 d . . . . .
H54 H 0.1438 1.1069 0.1262 0.135 Uiso 1 1 calc R U . . .
C64 C 0.0866(14) 1.0953(11) 0.2120(10) 0.104(6) Uani 1 1 d . . . . .
H55 H 0.0104 1.0913 0.2078 0.124 Uiso 1 1 calc R U . . .
C65 C 0.1117(12) 1.0911(10) 0.2653(8) 0.087(5) Uani 1 1 d . . . . .
H56 H 0.0548 1.0851 0.2995 0.104 Uiso 1 1 calc R U . . .
C66 C 0.2237(10) 1.0957(8) 0.2696(6) 0.073(4) Uani 1 1 d . . . . .
H57 H 0.2452 1.0900 0.3075 0.088 Uiso 1 1 calc R U . . .
C67 C 0.5115(8) 1.1873(7) 0.3182(5) 0.053(3) Uani 1 1 d . . . . .
H58 H 0.4897 1.1465 0.3487 0.064 Uiso 1 1 calc R U . . .
H59 H 0.4896 1.2414 0.3373 0.064 Uiso 1 1 calc R U . . .
C68 C 0.4341(9) 1.1987(7) 0.2723(5) 0.049(3) Uani 1 1 d . . . . .
H60 H 0.4513 1.2423 0.2429 0.058 Uiso 1 1 calc R U . . .
H61 H 0.3481 1.2200 0.2915 0.058 Uiso 1 1 calc R U . . .
O17 O 0.9138(6) 0.8478(5) -0.0164(3) 0.052(2) Uani 1 1 d . . . . .
C69 C 0.9798(11) 0.9049(8) -0.0139(6) 0.070(4) Uani 1 1 d . . . . .
H62 H 1.0643 0.8734 -0.0120 0.084 Uiso 1 1 calc R U . . .
H63 H 0.9436 0.9382 0.0212 0.084 Uiso 1 1 calc R U . . .
H64 H 0.9767 0.9422 -0.0493 0.084 Uiso 1 1 calc R U . . .
O18 O 1.0675(6) 0.6821(5) 0.0258(3) 0.055(2) Uani 1 1 d . . . . .
C70 C 1.1722(10) 0.6880(9) 0.0458(7) 0.098(5) Uani 1 1 d . . . . .
H65 H 1.1684 0.6698 0.0875 0.118 Uiso 1 1 calc R U . . .
H66 H 1.1737 0.7461 0.0410 0.118 Uiso 1 1 calc R U . . .
H67 H 1.2458 0.6520 0.0224 0.118 Uiso 1 1 calc R U . . .
O19 O 0.8487(7) 0.6994(5) -0.0134(3) 0.061(2) Uani 1 1 d . . . . .
C71 C 0.9014(13) 0.6819(10) -0.0720(6) 0.101(5) Uani 1 1 d . . . . .
H68 H 0.9640 0.6273 -0.0737 0.121 Uiso 1 1 calc R U . . .
H69 H 0.9381 0.7254 -0.0897 0.121 Uiso 1 1 calc R U . . .
H70 H 0.8392 0.6807 -0.0939 0.121 Uiso 1 1 calc R U . . .
O20 O 1.0180(19) 0.3881(14) 0.2796(10) 0.249(9) Uiso 1 1 d . . . . .
C72 C 1.0768(18) 0.3391(13) 0.2413(9) 0.155(8) Uiso 1 1 d . . . . .
H71 H 1.1020 0.3702 0.2056 0.186 Uiso 1 1 calc R U . . .
H72 H 1.0270 0.3068 0.2324 0.186 Uiso 1 1 calc R U . . .
H73 H 1.1486 0.3009 0.2552 0.186 Uiso 1 1 calc R U . . .
O21 O 0.2655(7) 1.1733(5) 0.4448(4) 0.075(2) Uiso 1 1 d . . . . .
C73 C 0.1568(12) 1.2112(9) 0.4283(6) 0.092(5) Uiso 1 1 d . . . . .
H74 H 0.1004 1.2432 0.4610 0.111 Uiso 1 1 calc R U . . .
H75 H 0.1246 1.1687 0.4179 0.111 Uiso 1 1 calc R U . . .
H76 H 0.1669 1.2492 0.3940 0.111 Uiso 1 1 calc R U . . .
O22 O 0.6987(7) 0.6115(5) 0.0212(4) 0.071(2) Uiso 1 1 d . . . . .
C74 C 0.7671(13) 0.5232(9) 0.0289(7) 0.097(5) Uiso 1 1 d . . . . .
H77 H 0.8405 0.5190 0.0440 0.116 Uiso 1 1 calc R U . . .
H78 H 0.7896 0.4965 -0.0092 0.116 Uiso 1 1 calc R U . . .
H79 H 0.7169 0.4950 0.0569 0.116 Uiso 1 1 calc R U . . .
O23 O 0.9782(12) 0.6162(9) 0.4000(7) 0.162(5) Uiso 1 1 d . . . . .
C75 C 0.9613(17) 0.5966(12) 0.4565(9) 0.145(7) Uiso 1 1 d . . . . .
H80 H 1.0336 0.5532 0.4661 0.217 Uiso 1 1 calc R U . . .
H81 H 0.8912 0.5755 0.4670 0.217 Uiso 1 1 calc R U . . .
H82 H 0.9465 0.6464 0.4789 0.217 Uiso 1 1 calc R U . . .
O24 O 0.853(3) 0.482(2) 0.3837(15) 0.422(18) Uiso 1 1 d D . . . .
C76 C 0.754(3) 0.4660(19) 0.3579(14) 0.272(16) Uiso 1 1 d D . . . .
H83 H 0.7192 0.4274 0.3845 0.408 Uiso 1 1 calc R U . . .
H84 H 0.7887 0.4414 0.3193 0.408 Uiso 1 1 calc R U . . .
H85 H 0.6909 0.5192 0.3535 0.408 Uiso 1 1 calc R U . . .


_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 2.275(3) . ?
Au1 S1 2.325(3) . ?
Au1 Au2 3.0354(9) . ?
Au2 P2 2.261(2) . ?
Au2 S2 2.319(2) . ?
Au3 P3 2.271(3) . ?
Au3 S3 2.323(3) . ?
Au3 Au4 2.9962(9) . ?
Au4 P4 2.245(3) . ?
Au4 S4 2.286(3) . ?
Ni1 O1 2.044(6) . ?
Ni1 O5 2.057(6) . ?
Ni1 O9 2.059(6) . ?
Ni1 O3 2.060(7) . ?
Ni1 S1 2.384(3) . ?
Ni1 S2 2.392(3) . ?
Ni2 O7 2.024(6) . ?
Ni2 O13 2.056(8) . ?
Ni2 O9 2.151(6) . ?
Ni2 S4 2.360(3) . ?
Ni2 S3 2.398(3) . ?
Ni2 S2 2.466(3) . ?
Ni3 O17 2.040(7) . ?
Ni3 O5 2.042(7) . ?
Ni3 O10 2.047(6) . ?
Ni3 O19 2.057(7) . ?
Ni3 O3 2.058(6) . ?
Ni3 O18 2.058(6) . ?
S1 C1 1.826(10) . ?
S2 C5 1.811(9) . ?
S3 C9 1.798(11) . ?
S4 C13 1.818(9) . ?
P1 C17 1.813(10) . ?
P1 C23 1.816(11) . ?
P1 C41 1.824(10) . ?
P2 C35 1.808(11) . ?
P2 C29 1.823(10) . ?
P2 C42 1.823(9) . ?
P3 C43 1.787(11) . ?
P3 C49 1.816(12) . ?
P3 C67 1.840(10) . ?
P4 C55 1.784(12) . ?
P4 C61 1.807(11) . ?
P4 C68 1.837(10) . ?
O1 C2 1.276(12) . ?
O2 C2 1.244(11) . ?
O3 C4 1.289(12) . ?
O4 C4 1.235(12) . ?
O5 C8 1.293(12) . ?
O6 C8 1.266(12) . ?
O7 C6 1.260(11) . ?
O8 C6 1.235(11) . ?
O9 C10 1.274(10) . ?
O10 C10 1.242(11) . ?
O11 C12 1.465(18) . ?
O11 H86 0.8400 . ?
O12 C12 1.074(17) . ?
O13 C14 1.292(12) . ?
O14 C14 1.214(12) . ?
O15 C16 1.307(12) . ?
O15 H1 0.8400 . ?
O16 C16 1.201(13) . ?
C1 C2 1.519(15) . ?
C1 C3 1.551(14) . ?
C1 H2 1.0000 . ?
C3 C4 1.512(14) . ?
C3 H3 0.9900 . ?
C3 H4 0.9900 . ?
C5 C6 1.526(12) . ?
C5 C7 1.544(14) . ?
C5 H5 1.0000 . ?
C7 C8 1.488(15) . ?
C7 H6 0.9900 . ?
C7 H7 0.9900 . ?
C9 C11 1.392(16) . ?
C9 C10 1.479(13) . ?
C9 H8 1.0000 . ?
C11 C12 1.397(19) . ?
C11 H9 0.9900 . ?
C11 H10 0.9900 . ?
C13 C15 1.513(13) . ?
C13 C14 1.541(14) . ?
C13 H11 1.0000 . ?
C15 C16 1.514(15) . ?
C15 H12 0.9900 . ?
C15 H13 0.9900 . ?
C17 C18 1.352(14) . ?
C17 C22 1.380(14) . ?
C18 C19 1.386(16) . ?
C18 H14 0.9500 . ?
C19 C20 1.361(19) . ?
C19 H15 0.9500 . ?
C20 C21 1.376(18) . ?
C20 H16 0.9500 . ?
C21 C22 1.392(15) . ?
C21 H17 0.9500 . ?
C22 H18 0.9500 . ?
C23 C28 1.360(15) . ?
C23 C24 1.370(13) . ?
C24 C25 1.379(15) . ?
C24 H19 0.9500 . ?
C25 C26 1.377(17) . ?
C25 H20 0.9500 . ?
C26 C27 1.382(17) . ?
C26 H21 0.9500 . ?
C27 C28 1.362(15) . ?
C27 H22 0.9500 . ?
C28 H23 0.9500 . ?
C29 C34 1.367(13) . ?
C29 C30 1.384(13) . ?
C30 C31 1.378(16) . ?
C30 H24 0.9500 . ?
C31 C32 1.392(17) . ?
C31 H25 0.9500 . ?
C32 C33 1.350(16) . ?
C32 H26 0.9500 . ?
C33 C34 1.376(15) . ?
C33 H27 0.9500 . ?
C34 H28 0.9500 . ?
C35 C40 1.353(15) . ?
C35 C36 1.385(14) . ?
C36 C37 1.390(16) . ?
C36 H29 0.9500 . ?
C37 C38 1.310(18) . ?
C37 H30 0.9500 . ?
C38 C39 1.335(18) . ?
C38 H31 0.9500 . ?
C39 C40 1.357(16) . ?
C39 H32 0.9500 . ?
C40 H33 0.9500 . ?
C41 C42 1.520(12) . ?
C41 H34 0.9900 . ?
C41 H35 0.9900 . ?
C42 H36 0.9900 . ?
C42 H37 0.9900 . ?
C43 C44 1.389(14) . ?
C43 C48 1.392(15) . ?
C44 C45 1.362(16) . ?
C44 H38 0.9500 . ?
C45 C46 1.368(17) . ?
C45 H39 0.9500 . ?
C46 C47 1.374(18) . ?
C46 H40 0.9500 . ?
C47 C48 1.349(17) . ?
C47 H41 0.9500 . ?
C48 H42 0.9500 . ?
C49 C54 1.351(16) . ?
C49 C50 1.368(15) . ?
C50 C51 1.393(17) . ?
C50 H43 0.9500 . ?
C51 C52 1.338(19) . ?
C51 H44 0.9500 . ?
C52 C53 1.324(17) . ?
C52 H45 0.9500 . ?
C53 C54 1.392(17) . ?
C53 H46 0.9500 . ?
C54 H47 0.9500 . ?
C55 C60 1.370(17) . ?
C55 C56 1.393(15) . ?
C56 C57 1.370(16) . ?
C56 H48 0.9500 . ?
C57 C58 1.353(18) . ?
C57 H49 0.9500 . ?
C58 C59 1.346(18) . ?
C58 H50 0.9500 . ?
C59 C60 1.392(18) . ?
C59 H51 0.9500 . ?
C60 H52 0.9500 . ?
C61 C62 1.345(15) . ?
C61 C66 1.372(16) . ?
C62 C63 1.363(17) . ?
C62 H53 0.9500 . ?
C63 C64 1.33(2) . ?
C63 H54 0.9500 . ?
C64 C65 1.32(2) . ?
C64 H55 0.9500 . ?
C65 C66 1.373(17) . ?
C65 H56 0.9500 . ?
C66 H57 0.9500 . ?
C67 C68 1.497(14) . ?
C67 H58 0.9900 . ?
C67 H59 0.9900 . ?
C68 H60 0.9900 . ?
C68 H61 0.9900 . ?
O17 C69 1.430(12) . ?
C69 H62 0.9800 . ?
C69 H63 0.9800 . ?
C69 H64 0.9800 . ?
O18 C70 1.440(13) . ?
C70 H65 0.9800 . ?
C70 H66 0.9800 . ?
C70 H67 0.9800 . ?
O19 C71 1.392(14) . ?
C71 H68 0.9800 . ?
C71 H69 0.9800 . ?
C71 H70 0.9800 . ?
O20 C72 1.22(2) . ?
C72 H71 0.9800 . ?
C72 H72 0.9800 . ?
C72 H73 0.9800 . ?
O21 C73 1.355(14) . ?
C73 H74 0.9800 . ?
C73 H75 0.9800 . ?
C73 H76 0.9800 . ?
O22 C74 1.464(15) . ?
C74 H77 0.9800 . ?
C74 H78 0.9800 . ?
C74 H79 0.9800 . ?
O23 C75 1.31(2) . ?
C75 H80 0.9800 . ?
C75 H81 0.9800 . ?
C75 H82 0.9800 . ?
O24 C76 1.520(10) . ?
C76 H83 0.9800 . ?
C76 H84 0.9800 . ?
C76 H85 0.9800 . ?

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 176.85(9) . . ?
P1 Au1 Au2 83.45(7) . . ?
S1 Au1 Au2 99.64(7) . . ?
P2 Au2 S2 175.37(9) . . ?
P2 Au2 Au1 98.29(7) . . ?
S2 Au2 Au1 84.01(6) . . ?
P3 Au3 S3 169.70(9) . . ?
P3 Au3 Au4 92.85(7) . . ?
S3 Au3 Au4 96.15(6) . . ?
P4 Au4 S4 170.21(9) . . ?
P4 Au4 Au3 93.77(7) . . ?
S4 Au4 Au3 94.78(6) . . ?
O1 Ni1 O5 93.6(3) . . ?
O1 Ni1 O9 177.1(3) . . ?
O5 Ni1 O9 87.8(2) . . ?
O1 Ni1 O3 87.5(3) . . ?
O5 Ni1 O3 79.8(3) . . ?
O9 Ni1 O3 90.2(3) . . ?
O1 Ni1 S1 85.1(2) . . ?
O5 Ni1 S1 169.8(2) . . ?
O9 Ni1 S1 93.09(18) . . ?
O3 Ni1 S1 90.1(2) . . ?
O1 Ni1 S2 99.2(2) . . ?
O5 Ni1 S2 92.8(2) . . ?
O9 Ni1 S2 83.27(19) . . ?
O3 Ni1 S2 170.31(18) . . ?
S1 Ni1 S2 97.40(10) . . ?
O7 Ni2 O13 88.3(3) . . ?
O7 Ni2 O9 86.4(3) . . ?
O13 Ni2 O9 174.0(2) . . ?
O7 Ni2 S4 165.2(2) . . ?
O13 Ni2 S4 80.66(19) . . ?
O9 Ni2 S4 105.09(17) . . ?
O7 Ni2 S3 92.5(2) . . ?
O13 Ni2 S3 97.5(2) . . ?
O9 Ni2 S3 80.02(17) . . ?
S4 Ni2 S3 98.63(10) . . ?
O7 Ni2 S2 80.44(19) . . ?
O13 Ni2 S2 102.1(2) . . ?
O9 Ni2 S2 79.67(17) . . ?
S4 Ni2 S2 92.26(9) . . ?
S3 Ni2 S2 158.86(11) . . ?
O17 Ni3 O5 171.7(3) . . ?
O17 Ni3 O10 93.9(3) . . ?
O5 Ni3 O10 89.6(3) . . ?
O17 Ni3 O19 87.3(3) . . ?
O5 Ni3 O19 89.0(3) . . ?
O10 Ni3 O19 178.1(3) . . ?
O17 Ni3 O3 92.4(3) . . ?
O5 Ni3 O3 80.2(3) . . ?
O10 Ni3 O3 88.6(2) . . ?
O19 Ni3 O3 89.9(3) . . ?
O17 Ni3 O18 94.1(3) . . ?
O5 Ni3 O18 93.1(3) . . ?
O10 Ni3 O18 94.4(3) . . ?
O19 Ni3 O18 86.9(3) . . ?
O3 Ni3 O18 172.6(3) . . ?
C1 S1 Au1 103.6(4) . . ?
C1 S1 Ni1 87.8(3) . . ?
Au1 S1 Ni1 108.92(11) . . ?
C5 S2 Au2 107.7(3) . . ?
C5 S2 Ni1 106.0(4) . . ?
Au2 S2 Ni1 103.47(9) . . ?
C5 S2 Ni2 99.0(3) . . ?
Au2 S2 Ni2 146.41(11) . . ?
Ni1 S2 Ni2 88.00(9) . . ?
C9 S3 Au3 105.5(5) . . ?
C9 S3 Ni2 93.8(4) . . ?
Au3 S3 Ni2 117.10(10) . . ?
C13 S4 Au4 108.4(3) . . ?
C13 S4 Ni2 94.2(3) . . ?
Au4 S4 Ni2 111.13(12) . . ?
C17 P1 C23 103.8(5) . . ?
C17 P1 C41 104.5(5) . . ?
C23 P1 C41 106.2(5) . . ?
C17 P1 Au1 112.1(4) . . ?
C23 P1 Au1 114.8(4) . . ?
C41 P1 Au1 114.3(4) . . ?
C35 P2 C29 107.2(5) . . ?
C35 P2 C42 101.4(4) . . ?
C29 P2 C42 108.4(5) . . ?
C35 P2 Au2 111.6(3) . . ?
C29 P2 Au2 114.0(3) . . ?
C42 P2 Au2 113.3(3) . . ?
C43 P3 C49 105.3(5) . . ?
C43 P3 C67 106.2(5) . . ?
C49 P3 C67 103.5(5) . . ?
C43 P3 Au3 115.1(3) . . ?
C49 P3 Au3 109.2(4) . . ?
C67 P3 Au3 116.4(4) . . ?
C55 P4 C61 107.0(5) . . ?
C55 P4 C68 107.5(6) . . ?
C61 P4 C68 107.0(5) . . ?
C55 P4 Au4 113.4(4) . . ?
C61 P4 Au4 107.1(4) . . ?
C68 P4 Au4 114.4(4) . . ?
C2 O1 Ni1 115.8(7) . . ?
C4 O3 Ni3 126.2(7) . . ?
C4 O3 Ni1 134.8(7) . . ?
Ni3 O3 Ni1 97.3(3) . . ?
C8 O5 Ni3 128.6(7) . . ?
C8 O5 Ni1 133.5(7) . . ?
Ni3 O5 Ni1 97.9(3) . . ?
C6 O7 Ni2 125.8(6) . . ?
C10 O9 Ni1 128.9(6) . . ?
C10 O9 Ni2 115.5(6) . . ?
Ni1 O9 Ni2 106.6(3) . . ?
C10 O10 Ni3 129.8(6) . . ?
C12 O11 H86 109.5 . . ?
C14 O13 Ni2 121.6(7) . . ?
C16 O15 H1 109.5 . . ?
C2 C1 C3 112.6(9) . . ?
C2 C1 S1 111.6(7) . . ?
C3 C1 S1 110.3(7) . . ?
C2 C1 H2 107.4 . . ?
C3 C1 H2 107.4 . . ?
S1 C1 H2 107.4 . . ?
O2 C2 O1 124.3(11) . . ?
O2 C2 C1 116.7(11) . . ?
O1 C2 C1 119.0(9) . . ?
C4 C3 C1 119.9(9) . . ?
C4 C3 H3 107.3 . . ?
C1 C3 H3 107.3 . . ?
C4 C3 H4 107.3 . . ?
C1 C3 H4 107.3 . . ?
H3 C3 H4 106.9 . . ?
O4 C4 O3 123.3(10) . . ?
O4 C4 C3 118.2(10) . . ?
O3 C4 C3 118.4(10) . . ?
C6 C5 C7 112.2(8) . . ?
C6 C5 S2 111.7(7) . . ?
C7 C5 S2 114.0(7) . . ?
C6 C5 H5 106.1 . . ?
C7 C5 H5 106.1 . . ?
S2 C5 H5 106.1 . . ?
O8 C6 O7 122.6(9) . . ?
O8 C6 C5 116.1(9) . . ?
O7 C6 C5 121.3(8) . . ?
C8 C7 C5 113.8(8) . . ?
C8 C7 H6 108.8 . . ?
C5 C7 H6 108.8 . . ?
C8 C7 H7 108.8 . . ?
C5 C7 H7 108.8 . . ?
H6 C7 H7 107.7 . . ?
O6 C8 O5 122.0(11) . . ?
O6 C8 C7 117.8(11) . . ?
O5 C8 C7 120.2(9) . . ?
C11 C9 C10 120.0(11) . . ?
C11 C9 S3 119.2(9) . . ?
C10 C9 S3 116.2(8) . . ?
C11 C9 H8 97.1 . . ?
C10 C9 H8 97.1 . . ?
S3 C9 H8 97.1 . . ?
O10 C10 O9 124.7(9) . . ?
O10 C10 C9 116.5(9) . . ?
O9 C10 C9 118.8(9) . . ?
C9 C11 C12 131.9(15) . . ?
C9 C11 H9 104.3 . . ?
C12 C11 H9 104.3 . . ?
C9 C11 H10 104.3 . . ?
C12 C11 H10 104.3 . . ?
H9 C11 H10 105.6 . . ?
O12 C12 C11 145(2) . . ?
O12 C12 O11 116.7(16) . . ?
C11 C12 O11 97.9(16) . . ?
C15 C13 C14 112.7(9) . . ?
C15 C13 S4 111.9(7) . . ?
C14 C13 S4 109.0(7) . . ?
C15 C13 H11 107.7 . . ?
C14 C13 H11 107.7 . . ?
S4 C13 H11 107.7 . . ?
O14 C14 O13 124.5(11) . . ?
O14 C14 C13 118.8(10) . . ?
O13 C14 C13 116.6(10) . . ?
C13 C15 C16 110.3(9) . . ?
C13 C15 H12 109.6 . . ?
C16 C15 H12 109.6 . . ?
C13 C15 H13 109.6 . . ?
C16 C15 H13 109.6 . . ?
H12 C15 H13 108.1 . . ?
O16 C16 O15 123.9(12) . . ?
O16 C16 C15 122.7(11) . . ?
O15 C16 C15 113.4(11) . . ?
C18 C17 C22 118.9(10) . . ?
C18 C17 P1 119.9(8) . . ?
C22 C17 P1 121.1(8) . . ?
C17 C18 C19 121.6(12) . . ?
C17 C18 H14 119.2 . . ?
C19 C18 H14 119.2 . . ?
C20 C19 C18 119.6(14) . . ?
C20 C19 H15 120.2 . . ?
C18 C19 H15 120.2 . . ?
C19 C20 C21 119.9(13) . . ?
C19 C20 H16 120.1 . . ?
C21 C20 H16 120.1 . . ?
C20 C21 C22 119.8(12) . . ?
C20 C21 H17 120.1 . . ?
C22 C21 H17 120.1 . . ?
C17 C22 C21 120.1(11) . . ?
C17 C22 H18 120.0 . . ?
C21 C22 H18 120.0 . . ?
C28 C23 C24 118.1(11) . . ?
C28 C23 P1 121.8(9) . . ?
C24 C23 P1 119.6(9) . . ?
C23 C24 C25 121.2(12) . . ?
C23 C24 H19 119.4 . . ?
C25 C24 H19 119.4 . . ?
C26 C25 C24 119.2(12) . . ?
C26 C25 H20 120.4 . . ?
C24 C25 H20 120.4 . . ?
C25 C26 C27 119.9(13) . . ?
C25 C26 H21 120.0 . . ?
C27 C26 H21 120.0 . . ?
C28 C27 C26 118.8(14) . . ?
C28 C27 H22 120.6 . . ?
C26 C27 H22 120.6 . . ?
C23 C28 C27 122.6(12) . . ?
C23 C28 H23 118.7 . . ?
C27 C28 H23 118.7 . . ?
C34 C29 C30 120.6(10) . . ?
C34 C29 P2 118.1(8) . . ?
C30 C29 P2 121.3(8) . . ?
C31 C30 C29 117.9(11) . . ?
C31 C30 H24 121.1 . . ?
C29 C30 H24 121.1 . . ?
C30 C31 C32 121.2(12) . . ?
C30 C31 H25 119.4 . . ?
C32 C31 H25 119.4 . . ?
C33 C32 C31 119.7(12) . . ?
C33 C32 H26 120.2 . . ?
C31 C32 H26 120.2 . . ?
C32 C33 C34 119.9(11) . . ?
C32 C33 H27 120.0 . . ?
C34 C33 H27 120.0 . . ?
C29 C34 C33 120.7(10) . . ?
C29 C34 H28 119.7 . . ?
C33 C34 H28 119.7 . . ?
C40 C35 C36 118.3(11) . . ?
C40 C35 P2 119.7(9) . . ?
C36 C35 P2 121.5(9) . . ?
C35 C36 C37 119.8(13) . . ?
C35 C36 H29 120.1 . . ?
C37 C36 H29 120.1 . . ?
C38 C37 C36 120.4(13) . . ?
C38 C37 H30 119.8 . . ?
C36 C37 H30 119.8 . . ?
C37 C38 C39 119.4(14) . . ?
C37 C38 H31 120.3 . . ?
C39 C38 H31 120.3 . . ?
C38 C39 C40 123.1(14) . . ?
C38 C39 H32 118.4 . . ?
C40 C39 H32 118.4 . . ?
C35 C40 C39 118.9(12) . . ?
C35 C40 H33 120.5 . . ?
C39 C40 H33 120.6 . . ?
C42 C41 P1 117.6(7) . . ?
C42 C41 H34 107.9 . . ?
P1 C41 H34 107.9 . . ?
C42 C41 H35 107.9 . . ?
P1 C41 H35 107.9 . . ?
H34 C41 H35 107.2 . . ?
C41 C42 P2 118.1(7) . . ?
C41 C42 H36 107.8 . . ?
P2 C42 H36 107.8 . . ?
C41 C42 H37 107.8 . . ?
P2 C42 H37 107.8 . . ?
H36 C42 H37 107.1 . . ?
C44 C43 C48 116.8(11) . . ?
C44 C43 P3 122.1(9) . . ?
C48 C43 P3 121.1(8) . . ?
C45 C44 C43 119.4(12) . . ?
C45 C44 H38 120.3 . . ?
C43 C44 H38 120.3 . . ?
C44 C45 C46 122.9(13) . . ?
C44 C45 H39 118.5 . . ?
C46 C45 H39 118.5 . . ?
C45 C46 C47 118.1(13) . . ?
C45 C46 H40 121.0 . . ?
C47 C46 H40 121.0 . . ?
C48 C47 C46 119.6(13) . . ?
C48 C47 H41 120.2 . . ?
C46 C47 H41 120.2 . . ?
C47 C48 C43 123.1(12) . . ?
C47 C48 H42 118.5 . . ?
C43 C48 H42 118.5 . . ?
C54 C49 C50 116.8(12) . . ?
C54 C49 P3 119.5(9) . . ?
C50 C49 P3 123.7(10) . . ?
C49 C50 C51 121.7(14) . . ?
C49 C50 H43 119.1 . . ?
C51 C50 H43 119.1 . . ?
C52 C51 C50 118.4(14) . . ?
C52 C51 H44 120.8 . . ?
C50 C51 H44 120.8 . . ?
C53 C52 C51 122.1(14) . . ?
C53 C52 H45 119.0 . . ?
C51 C52 H45 119.0 . . ?
C52 C53 C54 119.0(14) . . ?
C52 C53 H46 120.5 . . ?
C54 C53 H46 120.5 . . ?
C49 C54 C53 122.0(12) . . ?
C49 C54 H47 119.0 . . ?
C53 C54 H47 119.0 . . ?
C60 C55 C56 118.5(12) . . ?
C60 C55 P4 121.3(10) . . ?
C56 C55 P4 120.1(10) . . ?
C57 C56 C55 118.9(13) . . ?
C57 C56 H48 120.5 . . ?
C55 C56 H48 120.5 . . ?
C58 C57 C56 123.1(13) . . ?
C58 C57 H49 118.4 . . ?
C56 C57 H49 118.4 . . ?
C59 C58 C57 117.7(13) . . ?
C59 C58 H50 121.2 . . ?
C57 C58 H50 121.2 . . ?
C58 C59 C60 121.9(15) . . ?
C58 C59 H51 119.1 . . ?
C60 C59 H51 119.1 . . ?
C55 C60 C59 119.9(13) . . ?
C55 C60 H52 120.1 . . ?
C59 C60 H52 120.1 . . ?
C62 C61 C66 117.0(11) . . ?
C62 C61 P4 124.7(10) . . ?
C66 C61 P4 117.8(9) . . ?
C61 C62 C63 120.0(14) . . ?
C61 C62 H53 120.0 . . ?
C63 C62 H53 120.0 . . ?
C64 C63 C62 120.9(16) . . ?
C64 C63 H54 119.5 . . ?
C62 C63 H54 119.5 . . ?
C65 C64 C63 122.0(16) . . ?
C65 C64 H55 119.0 . . ?
C63 C64 H55 119.0 . . ?
C64 C65 C66 117.3(15) . . ?
C64 C65 H56 121.4 . . ?
C66 C65 H56 121.4 . . ?
C61 C66 C65 122.7(14) . . ?
C61 C66 H57 118.6 . . ?
C65 C66 H57 118.6 . . ?
C68 C67 P3 118.2(8) . . ?
C68 C67 H58 107.8 . . ?
P3 C67 H58 107.8 . . ?
C68 C67 H59 107.8 . . ?
P3 C67 H59 107.8 . . ?
H58 C67 H59 107.1 . . ?
C67 C68 P4 115.7(7) . . ?
C67 C68 H60 108.4 . . ?
P4 C68 H60 108.4 . . ?
C67 C68 H61 108.4 . . ?
P4 C68 H61 108.4 . . ?
H60 C68 H61 107.4 . . ?
C69 O17 Ni3 123.8(7) . . ?
O17 C69 H62 109.5 . . ?
O17 C69 H63 109.5 . . ?
H62 C69 H63 109.5 . . ?
O17 C69 H64 109.5 . . ?
H62 C69 H64 109.5 . . ?
H63 C69 H64 109.5 . . ?
C70 O18 Ni3 126.1(6) . . ?
O18 C70 H65 109.5 . . ?
O18 C70 H66 109.5 . . ?
H65 C70 H66 109.5 . . ?
O18 C70 H67 109.5 . . ?
H65 C70 H67 109.5 . . ?
H66 C70 H67 109.5 . . ?
C71 O19 Ni3 131.5(8) . . ?
O19 C71 H68 109.5 . . ?
O19 C71 H69 109.5 . . ?
H68 C71 H69 109.5 . . ?
O19 C71 H70 109.5 . . ?
H68 C71 H70 109.5 . . ?
H69 C71 H70 109.5 . . ?
O20 C72 H71 109.5 . . ?
O20 C72 H72 109.5 . . ?
H71 C72 H72 109.5 . . ?
O20 C72 H73 109.5 . . ?
H71 C72 H73 109.5 . . ?
H72 C72 H73 109.5 . . ?
O21 C73 H74 109.5 . . ?
O21 C73 H75 109.5 . . ?
H74 C73 H75 109.5 . . ?
O21 C73 H76 109.5 . . ?
H74 C73 H76 109.5 . . ?
H75 C73 H76 109.5 . . ?
O22 C74 H77 109.5 . . ?
O22 C74 H78 109.5 . . ?
H77 C74 H78 109.5 . . ?
O22 C74 H79 109.5 . . ?
H77 C74 H79 109.5 . . ?
H78 C74 H79 109.5 . . ?
O23 C75 H80 109.5 . . ?
O23 C75 H81 109.5 . . ?
H80 C75 H81 109.5 . . ?
O23 C75 H82 109.5 . . ?
H80 C75 H82 109.5 . . ?
H81 C75 H82 109.5 . . ?
O24 C76 H83 109.5 . . ?
O24 C76 H84 109.5 . . ?
H83 C76 H84 109.5 . . ?
O24 C76 H85 109.5 . . ?
H83 C76 H85 109.5 . . ?
H84 C76 H85 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C1 C2 -65.1(8) . . . . ?
Ni1 S1 C1 C2 43.8(7) . . . . ?
Au1 S1 C1 C3 168.9(6) . . . . ?
Ni1 S1 C1 C3 -82.1(7) . . . . ?
Ni1 O1 C2 O2 -177.2(10) . . . . ?
Ni1 O1 C2 C1 2.3(13) . . . . ?
C3 C1 C2 O2 -93.6(12) . . . . ?
S1 C1 C2 O2 141.7(9) . . . . ?
C3 C1 C2 O1 86.9(12) . . . . ?
S1 C1 C2 O1 -37.8(13) . . . . ?
C2 C1 C3 C4 -57.4(12) . . . . ?
S1 C1 C3 C4 67.9(11) . . . . ?
Ni3 O3 C4 O4 -16.0(15) . . . . ?
Ni1 O3 C4 O4 -177.3(7) . . . . ?
Ni3 O3 C4 C3 167.8(7) . . . . ?
Ni1 O3 C4 C3 6.6(14) . . . . ?
C1 C3 C4 O4 167.1(10) . . . . ?
C1 C3 C4 O3 -16.6(14) . . . . ?
Au2 S2 C5 C6 -162.5(6) . . . . ?
Ni1 S2 C5 C6 87.3(7) . . . . ?
Ni2 S2 C5 C6 -3.2(8) . . . . ?
Au2 S2 C5 C7 69.1(7) . . . . ?
Ni1 S2 C5 C7 -41.2(7) . . . . ?
Ni2 S2 C5 C7 -131.7(6) . . . . ?
Ni2 O7 C6 O8 -165.5(9) . . . . ?
Ni2 O7 C6 C5 15.9(14) . . . . ?
C7 C5 C6 O8 -55.4(14) . . . . ?
S2 C5 C6 O8 175.2(9) . . . . ?
C7 C5 C6 O7 123.2(11) . . . . ?
S2 C5 C6 O7 -6.2(13) . . . . ?
C6 C5 C7 C8 -51.1(12) . . . . ?
S2 C5 C7 C8 77.1(10) . . . . ?
Ni3 O5 C8 O6 -0.9(16) . . . . ?
Ni1 O5 C8 O6 177.6(8) . . . . ?
Ni3 O5 C8 C7 -180.0(6) . . . . ?
Ni1 O5 C8 C7 -1.6(15) . . . . ?
C5 C7 C8 O6 126.0(11) . . . . ?
C5 C7 C8 O5 -54.8(13) . . . . ?
Au3 S3 C9 C11 62.9(13) . . . . ?
Ni2 S3 C9 C11 -177.6(13) . . . . ?
Au3 S3 C9 C10 -93.2(9) . . . . ?
Ni2 S3 C9 C10 26.3(10) . . . . ?
Ni3 O10 C10 O9 -13.5(15) . . . . ?
Ni3 O10 C10 C9 167.0(7) . . . . ?
Ni1 O9 C10 O10 8.7(14) . . . . ?
Ni2 O9 C10 O10 150.9(8) . . . . ?
Ni1 O9 C10 C9 -171.8(7) . . . . ?
Ni2 O9 C10 C9 -29.6(11) . . . . ?
C11 C9 C10 O10 21.5(18) . . . . ?
S3 C9 C10 O10 177.4(8) . . . . ?
C11 C9 C10 O9 -158.0(13) . . . . ?
S3 C9 C10 O9 -2.2(14) . . . . ?
C10 C9 C11 C12 -44(3) . . . . ?
S3 C9 C11 C12 160.6(16) . . . . ?
C9 C11 C12 O12 133(3) . . . . ?
C9 C11 C12 O11 -60(2) . . . . ?
Au4 S4 C13 C15 80.2(7) . . . . ?
Ni2 S4 C13 C15 -165.9(7) . . . . ?
Au4 S4 C13 C14 -154.5(6) . . . . ?
Ni2 S4 C13 C14 -40.6(7) . . . . ?
Ni2 O13 C14 O14 -173.6(9) . . . . ?
Ni2 O13 C14 C13 2.5(12) . . . . ?
C15 C13 C14 O14 -28.5(14) . . . . ?
S4 C13 C14 O14 -153.3(9) . . . . ?
C15 C13 C14 O13 155.2(9) . . . . ?
S4 C13 C14 O13 30.3(12) . . . . ?
C14 C13 C15 C16 159.8(9) . . . . ?
S4 C13 C15 C16 -76.9(10) . . . . ?
C13 C15 C16 O16 -42.6(14) . . . . ?
C13 C15 C16 O15 140.0(9) . . . . ?
C23 P1 C17 C18 93.8(11) . . . . ?
C41 P1 C17 C18 -155.1(10) . . . . ?
Au1 P1 C17 C18 -30.7(11) . . . . ?
C23 P1 C17 C22 -81.7(9) . . . . ?
C41 P1 C17 C22 29.5(10) . . . . ?
Au1 P1 C17 C22 153.9(8) . . . . ?
C22 C17 C18 C19 -3(2) . . . . ?
P1 C17 C18 C19 -178.8(11) . . . . ?
C17 C18 C19 C20 1(2) . . . . ?
C18 C19 C20 C21 0(3) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C18 C17 C22 C21 3.2(17) . . . . ?
P1 C17 C22 C21 178.7(9) . . . . ?
C20 C21 C22 C17 -1.4(19) . . . . ?
C17 P1 C23 C28 72.3(10) . . . . ?
C41 P1 C23 C28 -37.6(10) . . . . ?
Au1 P1 C23 C28 -165.0(8) . . . . ?
C17 P1 C23 C24 -100.0(9) . . . . ?
C41 P1 C23 C24 150.1(8) . . . . ?
Au1 P1 C23 C24 22.7(9) . . . . ?
C28 C23 C24 C25 1.7(16) . . . . ?
P1 C23 C24 C25 174.2(9) . . . . ?
C23 C24 C25 C26 -1.4(19) . . . . ?
C24 C25 C26 C27 2(2) . . . . ?
C25 C26 C27 C28 -3.0(19) . . . . ?
C24 C23 C28 C27 -2.7(16) . . . . ?
P1 C23 C28 C27 -175.1(9) . . . . ?
C26 C27 C28 C23 3.4(18) . . . . ?
C35 P2 C29 C34 98.0(8) . . . . ?
C42 P2 C29 C34 -153.3(8) . . . . ?
Au2 P2 C29 C34 -26.0(9) . . . . ?
C35 P2 C29 C30 -80.4(9) . . . . ?
C42 P2 C29 C30 28.3(10) . . . . ?
Au2 P2 C29 C30 155.6(8) . . . . ?
C34 C29 C30 C31 -0.4(16) . . . . ?
P2 C29 C30 C31 177.9(9) . . . . ?
C29 C30 C31 C32 0.0(19) . . . . ?
C30 C31 C32 C33 -0.4(19) . . . . ?
C31 C32 C33 C34 1.1(18) . . . . ?
C30 C29 C34 C33 1.2(15) . . . . ?
P2 C29 C34 C33 -177.2(8) . . . . ?
C32 C33 C34 C29 -1.6(16) . . . . ?
C29 P2 C35 C40 -152.8(9) . . . . ?
C42 P2 C35 C40 93.6(9) . . . . ?
Au2 P2 C35 C40 -27.3(10) . . . . ?
C29 P2 C35 C36 35.1(10) . . . . ?
C42 P2 C35 C36 -78.5(10) . . . . ?
Au2 P2 C35 C36 160.6(8) . . . . ?
C40 C35 C36 C37 3.0(17) . . . . ?
P2 C35 C36 C37 175.1(9) . . . . ?
C35 C36 C37 C38 0(2) . . . . ?
C36 C37 C38 C39 -2(2) . . . . ?
C37 C38 C39 C40 1(2) . . . . ?
C36 C35 C40 C39 -3.9(17) . . . . ?
P2 C35 C40 C39 -176.2(10) . . . . ?
C38 C39 C40 C35 2(2) . . . . ?
C17 P1 C41 C42 157.4(8) . . . . ?
C23 P1 C41 C42 -93.2(9) . . . . ?
Au1 P1 C41 C42 34.5(9) . . . . ?
P1 C41 C42 P2 55.7(11) . . . . ?
C35 P2 C42 C41 170.4(8) . . . . ?
C29 P2 C42 C41 57.7(9) . . . . ?
Au2 P2 C42 C41 -69.9(9) . . . . ?
C49 P3 C43 C44 120.7(9) . . . . ?
C67 P3 C43 C44 -129.9(9) . . . . ?
Au3 P3 C43 C44 0.5(10) . . . . ?
C49 P3 C43 C48 -58.7(11) . . . . ?
C67 P3 C43 C48 50.6(11) . . . . ?
Au3 P3 C43 C48 -179.0(9) . . . . ?
C48 C43 C44 C45 3.0(17) . . . . ?
P3 C43 C44 C45 -176.5(9) . . . . ?
C43 C44 C45 C46 -3.2(19) . . . . ?
C44 C45 C46 C47 3(2) . . . . ?
C45 C46 C47 C48 -2(2) . . . . ?
C46 C47 C48 C43 3(2) . . . . ?
C44 C43 C48 C47 -3(2) . . . . ?
P3 C43 C48 C47 176.7(12) . . . . ?
C43 P3 C49 C54 164.7(9) . . . . ?
C67 P3 C49 C54 53.4(11) . . . . ?
Au3 P3 C49 C54 -71.2(10) . . . . ?
C43 P3 C49 C50 -17.4(11) . . . . ?
C67 P3 C49 C50 -128.7(10) . . . . ?
Au3 P3 C49 C50 106.7(10) . . . . ?
C54 C49 C50 C51 1.3(19) . . . . ?
P3 C49 C50 C51 -176.6(11) . . . . ?
C49 C50 C51 C52 -1(2) . . . . ?
C50 C51 C52 C53 1(2) . . . . ?
C51 C52 C53 C54 -2(2) . . . . ?
C50 C49 C54 C53 -2.1(19) . . . . ?
P3 C49 C54 C53 175.9(10) . . . . ?
C52 C53 C54 C49 2(2) . . . . ?
C61 P4 C55 C60 68.2(11) . . . . ?
C68 P4 C55 C60 -46.4(11) . . . . ?
Au4 P4 C55 C60 -174.0(9) . . . . ?
C61 P4 C55 C56 -108.0(9) . . . . ?
C68 P4 C55 C56 137.4(9) . . . . ?
Au4 P4 C55 C56 9.8(10) . . . . ?
C60 C55 C56 C57 1.6(17) . . . . ?
P4 C55 C56 C57 178.0(8) . . . . ?
C55 C56 C57 C58 -1.9(18) . . . . ?
C56 C57 C58 C59 2(2) . . . . ?
C57 C58 C59 C60 -2(2) . . . . ?
C56 C55 C60 C59 -1.4(19) . . . . ?
P4 C55 C60 C59 -177.7(10) . . . . ?
C58 C59 C60 C55 1(2) . . . . ?
C55 P4 C61 C62 2.4(13) . . . . ?
C68 P4 C61 C62 117.4(12) . . . . ?
Au4 P4 C61 C62 -119.5(11) . . . . ?
C55 P4 C61 C66 174.5(10) . . . . ?
C68 P4 C61 C66 -70.5(11) . . . . ?
Au4 P4 C61 C66 52.6(10) . . . . ?
C66 C61 C62 C63 0(2) . . . . ?
P4 C61 C62 C63 172.2(12) . . . . ?
C61 C62 C63 C64 2(3) . . . . ?
C62 C63 C64 C65 -1(3) . . . . ?
C63 C64 C65 C66 -1(3) . . . . ?
C62 C61 C66 C65 -2(2) . . . . ?
P4 C61 C66 C65 -175.1(11) . . . . ?
C64 C65 C66 C61 3(2) . . . . ?
C43 P3 C67 C68 49.3(10) . . . . ?
C49 P3 C67 C68 160.0(9) . . . . ?
Au3 P3 C67 C68 -80.3(9) . . . . ?
P3 C67 C68 P4 60.4(11) . . . . ?
C55 P4 C68 C67 -103.0(9) . . . . ?
C61 P4 C68 C67 142.4(9) . . . . ?
Au4 P4 C68 C67 24.0(10) . . . . ?

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
O11 H86 O2 0.84 1.74 2.538(14) 158.9 1_655
O15 H1 O21 0.84 1.84 2.673(12) 172.3 .
C1 H2 O11 1.00 2.56 3.298(14) 130.2 1_455
C1 H2 O12 1.00 2.59 3.504(15) 151.2 1_455
C24 H19 S4 0.95 2.76 3.685(13) 163.9 .
C41 H34 O23 0.99 2.50 3.382(19) 148.4 1_455
C41 H35 S3 0.99 2.82 3.803(10) 172.7 1_455
C42 H36 O11 0.99 2.44 3.391(16) 159.9 1_455
C42 H37 O8 0.99 2.36 3.345(12) 170.4 1_455
C54 H47 O16 0.95 2.43 3.366(15) 167.3 .
C67 H58 O16 0.99 2.48 3.408(15) 156.8 .
C69 H64 O12 0.98 2.59 3.398(19) 139.2 2_775
C74 H77 O6 0.98 2.60 3.542(18) 161.0 .
C76 H84 O20 0.98 2.57 3.22(4) 123.2 .


_refine_diff_density_max         1.911
_refine_diff_density_min         -1.005
_refine_diff_density_rms         0.177

_shelxl_version_number           2014-3



_database_code_depnum_ccdc_archive 'CCDC 1025670'
