# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 1500233'
_audit_update_record             
;
2016-08-20 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Zn, (C30 H55 Au3 Co2 N6 O12 S6),  6(H2 O)'
_chemical_formula_sum            'C30 H55 Au3 Co2 N6 O18 S6 Zn'
_chemical_formula_weight         1754.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1220 0.1203 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3513 0.9498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -1.7748 8.6139 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2936 1.3984 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           23
_space_group_name_H-M_alt        'I 2 2 2'
_space_group_name_Hall           'I 2 2'

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

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

_cell_length_a                   10.307(3)
_cell_length_b                   18.544(5)
_cell_length_c                   27.144(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5188(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    16962
_cell_measurement_theta_min      1.310
_cell_measurement_theta_max      27.041

_exptl_crystal_description       'square block'
_exptl_crystal_colour            Purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.246
_exptl_crystal_F_000             3352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    9.140
_shelx_estimated_absorpt_T_min   0.462
_shelx_estimated_absorpt_T_max   0.610
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6614
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   
;
(ABSCOR; Higashi, 1995)
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7002
_diffrn_radiation_type           synchrotron
_diffrn_radiation_monochromator  Si(311)
_diffrn_detector_area_resol_mean 14.69
_diffrn_source                   'SPring-8 BL02B1 bending magnet'
_diffrn_measurement_device_type  'Rigaku Mercury2CCD detector'
_diffrn_measurement_method       'w scan'
_diffrn_reflns_number            16962
_diffrn_reflns_av_unetI/netI     0.0781
_diffrn_reflns_av_R_equivalents  0.0669
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         1.310
_diffrn_reflns_theta_max         27.041
_diffrn_reflns_theta_full        24.842
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5952
_reflns_number_gt                5350
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.796
_reflns_Friedel_fraction_max     0.988
_reflns_Friedel_fraction_full    0.995

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

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX

_refine_special_details          
;
 A clboxylate group is disordered at two positions with occupancy of 0.5, 
 respectively. ISOR was applied for a crystalline water.

;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0224P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2139 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(7)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         5952
_refine_ls_number_parameters     297
_refine_ls_number_restraints     9
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0818
_refine_ls_wR_factor_gt          0.0793
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.000
_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 0.5000 0.34744(3) 0.5000 0.02030(15) Uani 1 2 d S T P . .
Au2 Au 0.36114(4) 0.20619(2) 0.51473(2) 0.02039(11) Uani 1 1 d . . . . .
Co1 Co 0.59617(14) 0.25446(8) 0.62208(5) 0.0201(3) Uani 1 1 d . . . . .
S1 S 0.7261(3) 0.21097(18) 0.56251(9) 0.0245(6) Uani 1 1 d . . . . .
C1 C 0.7622(12) 0.1198(7) 0.5866(4) 0.027(3) Uani 1 1 d . . . . .
C2 C 0.7772(12) 0.1358(7) 0.6418(4) 0.027(3) Uani 1 1 d . . . . .
H2 H 0.8484 0.1720 0.6458 0.033 Uiso 1 1 calc R U . . .
N1 N 0.6542(10) 0.1689(5) 0.6608(3) 0.026(2) Uani 1 1 d . . . . .
H1A H 0.6663 0.1824 0.6927 0.031 Uiso 1 1 calc R U . . .
H1B H 0.5904 0.1350 0.6602 0.031 Uiso 1 1 calc R U . . .
C3 C 0.8111(16) 0.0697(7) 0.6734(4) 0.036(3) Uani 1 1 d . . . . .
O1 O 0.9285(9) 0.0651(4) 0.6842(3) 0.034(2) Uani 1 1 d . . . . .
O2 O 0.7203(10) 0.0286(5) 0.6859(3) 0.042(2) Uani 1 1 d . . . . .
C4 C 0.8954(12) 0.0987(9) 0.5644(4) 0.047(4) Uani 1 1 d . . . . .
H4A H 0.9598 0.1356 0.5729 0.070 Uiso 1 1 calc R U . . .
H4B H 0.9228 0.0521 0.5779 0.070 Uiso 1 1 calc R U . . .
H4C H 0.8879 0.0951 0.5285 0.070 Uiso 1 1 calc R U . . .
C5 C 0.6621(13) 0.0627(7) 0.5735(4) 0.032(3) Uani 1 1 d . . . . .
H5A H 0.6596 0.0563 0.5377 0.048 Uiso 1 1 calc R U . . .
H5B H 0.6856 0.0170 0.5893 0.048 Uiso 1 1 calc R U . . .
H5C H 0.5765 0.0781 0.5853 0.048 Uiso 1 1 calc R U . . .
S2 S 0.4233(3) 0.19318(15) 0.59499(9) 0.0198(6) Uani 1 1 d . . . . .
C6 C 0.2927(12) 0.2273(6) 0.6356(4) 0.025(3) Uani 1 1 d . . . . .
C7 C 0.3639(12) 0.2338(6) 0.6857(3) 0.022(2) Uani 1 1 d . . . . .
H7 H 0.3959 0.1845 0.6944 0.026 Uiso 1 1 calc R U . . .
N2 N 0.4815(10) 0.2808(5) 0.6789(3) 0.026(2) Uani 1 1 d . . . . .
H2A H 0.5296 0.2793 0.7070 0.031 Uiso 1 1 calc R U . . .
H2B H 0.4545 0.3272 0.6747 0.031 Uiso 1 1 calc R U . . .
C8 C 0.2773(13) 0.2585(7) 0.7276(4) 0.028(3) Uani 1 1 d . . . . .
O3 O 0.2894(12) 0.3210(5) 0.7445(3) 0.053(3) Uani 1 1 d . . . . .
O4 O 0.1937(8) 0.2138(4) 0.7434(2) 0.0277(19) Uani 1 1 d . . . . .
C9 C 0.1890(14) 0.1677(8) 0.6360(4) 0.044(4) Uani 1 1 d . . . . .
H9A H 0.2283 0.1223 0.6469 0.066 Uiso 1 1 calc R U . . .
H9B H 0.1191 0.1811 0.6587 0.066 Uiso 1 1 calc R U . . .
H9C H 0.1536 0.1617 0.6028 0.066 Uiso 1 1 calc R U . . .
C10 C 0.2355(11) 0.2990(7) 0.6189(4) 0.030(3) Uani 1 1 d . . . . .
H10A H 0.3035 0.3360 0.6190 0.045 Uiso 1 1 calc R U . . .
H10B H 0.2004 0.2939 0.5855 0.045 Uiso 1 1 calc R U . . .
H10C H 0.1659 0.3133 0.6415 0.045 Uiso 1 1 calc R U . . .
S3 S 0.5494(3) 0.35637(15) 0.58158(9) 0.0224(6) Uani 1 1 d . . . . .
C11 C 0.7038(13) 0.4105(7) 0.5894(4) 0.033(3) Uani 1 1 d . . . . .
C12 C 0.7324(12) 0.3927(7) 0.6433(4) 0.031(3) Uani 1 1 d . . . . .
H12 H 0.6569 0.4103 0.6630 0.037 Uiso 1 1 calc R U . A 1
N3 N 0.7396(10) 0.3131(6) 0.6506(3) 0.031(3) Uani 1 1 d . . . . .
H3A H 0.7428 0.3042 0.6835 0.037 Uiso 1 1 calc R U . . .
H3B H 0.8156 0.2972 0.6374 0.037 Uiso 1 1 calc R U . . .
C13 C 0.850(3) 0.4387(16) 0.6582(9) 0.031(7) Uiso 0.5 1 d D . P B 1
O5 O 0.955(2) 0.4116(13) 0.6550(8) 0.057(6) Uiso 0.5 1 d D . P B 1
O6 O 0.822(2) 0.5040(14) 0.6757(10) 0.066(7) Uiso 0.5 1 d D . P B 1
H6 H 0.8903 0.5261 0.6826 0.100 Uiso 0.5 1 calc R U P B 1
C13B C 0.878(3) 0.4141(17) 0.6605(11) 0.036(7) Uiso 0.5 1 d D . P B 2
O5B O 0.9638(19) 0.3732(11) 0.6675(7) 0.045(5) Uiso 0.5 1 d D . P B 2
O6B O 0.8727(17) 0.4854(9) 0.6637(6) 0.024(4) Uiso 0.5 1 d D . P B 2
C14 C 0.6661(14) 0.4886(7) 0.5824(4) 0.043(4) Uani 1 1 d . . . . .
H14A H 0.5981 0.5014 0.6061 0.064 Uiso 1 1 calc R U . . .
H14B H 0.7421 0.5193 0.5877 0.064 Uiso 1 1 calc R U . . .
H14C H 0.6335 0.4957 0.5488 0.064 Uiso 1 1 calc R U . . .
C15 C 0.8086(12) 0.3894(8) 0.5532(4) 0.037(3) Uani 1 1 d . . . . .
H15A H 0.8320 0.3387 0.5582 0.056 Uiso 1 1 calc R U . . .
H15B H 0.7767 0.3961 0.5195 0.056 Uiso 1 1 calc R U . . .
H15C H 0.8852 0.4198 0.5584 0.056 Uiso 1 1 calc R U . . .
Zn1 Zn 1.0000 0.0000 0.73761(7) 0.0403(6) Uani 1 2 d S T P . .
O1W O 0.8376(11) -0.0684(4) 0.7444(3) 0.043(3) Uani 1 1 d . . . . .
O2W O 1.1047(11) -0.0611(4) 0.7931(3) 0.044(3) Uani 1 1 d . . . . .
O3W O 0.500(2) 0.0868(10) 0.7328(8) 0.197(12) Uani 1 1 d . 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 S3 2.278(3) 4_656 ?
Au1 S3 2.278(3) . ?
Au1 Au2 3.0115(9) . ?
Au1 Au2 3.0115(9) 4_656 ?
Au2 S1 2.283(2) 4_656 ?
Au2 S2 2.284(3) . ?
Au2 Au2 2.9720(11) 4_656 ?
Co1 N3 1.991(10) . ?
Co1 N1 1.995(9) . ?
Co1 N2 2.003(9) . ?
Co1 S2 2.238(3) . ?
Co1 S3 2.239(3) . ?
Co1 S1 2.249(3) . ?
S1 C1 1.851(12) . ?
S1 Au2 2.283(2) 4_656 ?
C1 C5 1.519(18) . ?
C1 C2 1.537(15) . ?
C1 C4 1.549(16) . ?
C2 N1 1.499(15) . ?
C2 C3 1.537(16) . ?
C3 O1 1.247(17) . ?
C3 O2 1.253(17) . ?
O1 Zn1 2.025(8) . ?
S2 C6 1.851(11) . ?
C6 C10 1.523(16) . ?
C6 C9 1.538(17) . ?
C6 C7 1.550(14) . ?
C7 N2 1.505(15) . ?
C7 C8 1.516(15) . ?
C8 O3 1.254(14) . ?
C8 O4 1.270(14) . ?
S3 C11 1.894(12) . ?
C11 C15 1.511(17) . ?
C11 C14 1.51(2) . ?
C11 C12 1.529(15) . ?
C12 N3 1.491(16) . ?
C12 C13 1.54(3) . ?
C12 C13B 1.62(3) . ?
C13 O5 1.19(3) . ?
C13 O6 1.33(3) . ?
C13B O5B 1.18(3) . ?
C13B O6B 1.33(3) . ?
Zn1 O1 2.025(8) 2_755 ?
Zn1 O1W 2.108(10) . ?
Zn1 O1W 2.108(10) 2_755 ?
Zn1 O2W 2.171(8) . ?
Zn1 O2W 2.171(8) 2_755 ?

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
S3 Au1 S3 171.66(15) 4_656 . ?
S3 Au1 Au2 94.94(8) 4_656 . ?
S3 Au1 Au2 92.31(7) . . ?
S3 Au1 Au2 92.31(7) 4_656 4_656 ?
S3 Au1 Au2 94.94(8) . 4_656 ?
Au2 Au1 Au2 59.13(3) . 4_656 ?
S1 Au2 S2 172.17(10) 4_656 . ?
S1 Au2 Au2 97.61(7) 4_656 4_656 ?
S2 Au2 Au2 89.23(7) . 4_656 ?
S1 Au2 Au1 91.81(8) 4_656 . ?
S2 Au2 Au1 94.89(7) . . ?
Au2 Au2 Au1 60.433(13) 4_656 . ?
N3 Co1 N1 90.4(4) . . ?
N3 Co1 N2 90.3(4) . . ?
N1 Co1 N2 88.1(4) . . ?
N3 Co1 S2 174.9(3) . . ?
N1 Co1 S2 90.4(3) . . ?
N2 Co1 S2 84.7(3) . . ?
N3 Co1 S3 83.7(3) . . ?
N1 Co1 S3 174.1(3) . . ?
N2 Co1 S3 92.6(3) . . ?
S2 Co1 S3 95.50(11) . . ?
N3 Co1 S1 91.9(3) . . ?
N1 Co1 S1 85.1(3) . . ?
N2 Co1 S1 172.8(3) . . ?
S2 Co1 S1 93.21(12) . . ?
S3 Co1 S1 94.47(12) . . ?
C1 S1 Co1 101.2(4) . . ?
C1 S1 Au2 111.6(4) . 4_656 ?
Co1 S1 Au2 116.06(13) . 4_656 ?
C5 C1 C2 115.5(10) . . ?
C5 C1 C4 109.7(10) . . ?
C2 C1 C4 109.8(10) . . ?
C5 C1 S1 114.7(8) . . ?
C2 C1 S1 100.8(8) . . ?
C4 C1 S1 105.7(8) . . ?
N1 C2 C1 109.2(9) . . ?
N1 C2 C3 109.1(10) . . ?
C1 C2 C3 114.4(10) . . ?
C2 N1 Co1 113.5(6) . . ?
O1 C3 O2 128.2(12) . . ?
O1 C3 C2 114.0(12) . . ?
O2 C3 C2 117.8(13) . . ?
C3 O1 Zn1 124.2(9) . . ?
C6 S2 Co1 102.1(4) . . ?
C6 S2 Au2 109.1(4) . . ?
Co1 S2 Au2 118.89(12) . . ?
C10 C6 C9 111.2(11) . . ?
C10 C6 C7 112.1(9) . . ?
C9 C6 C7 112.2(9) . . ?
C10 C6 S2 113.7(7) . . ?
C9 C6 S2 105.3(8) . . ?
C7 C6 S2 101.8(8) . . ?
N2 C7 C8 113.1(9) . . ?
N2 C7 C6 108.5(8) . . ?
C8 C7 C6 113.7(10) . . ?
C7 N2 Co1 115.4(6) . . ?
O3 C8 O4 123.2(11) . . ?
O3 C8 C7 119.7(11) . . ?
O4 C8 C7 117.1(10) . . ?
C11 S3 Co1 102.2(4) . . ?
C11 S3 Au1 109.6(3) . . ?
Co1 S3 Au1 117.65(13) . . ?
C15 C11 C14 110.5(10) . . ?
C15 C11 C12 115.3(12) . . ?
C14 C11 C12 112.1(10) . . ?
C15 C11 S3 113.1(8) . . ?
C14 C11 S3 106.1(9) . . ?
C12 C11 S3 98.9(7) . . ?
N3 C12 C11 110.5(10) . . ?
N3 C12 C13 118.3(15) . . ?
C11 C12 C13 106.5(13) . . ?
N3 C12 C13B 99.1(14) . . ?
C11 C12 C13B 113.7(14) . . ?
C12 N3 Co1 116.9(8) . . ?
O5 C13 O6 128(3) . . ?
O5 C13 C12 117(3) . . ?
O6 C13 C12 115(2) . . ?
O5B C13B O6B 131(3) . . ?
O5B C13B C12 126(2) . . ?
O6B C13B C12 103(2) . . ?
O1 Zn1 O1 88.6(5) . 2_755 ?
O1 Zn1 O1W 97.6(4) . . ?
O1 Zn1 O1W 89.6(3) 2_755 . ?
O1 Zn1 O1W 89.6(3) . 2_755 ?
O1 Zn1 O1W 97.6(4) 2_755 2_755 ?
O1W Zn1 O1W 169.9(4) . 2_755 ?
O1 Zn1 O2W 171.2(4) . . ?
O1 Zn1 O2W 90.3(3) 2_755 . ?
O1W Zn1 O2W 91.2(4) . . ?
O1W Zn1 O2W 81.8(4) 2_755 . ?
O1 Zn1 O2W 90.3(3) . 2_755 ?
O1 Zn1 O2W 171.2(4) 2_755 2_755 ?
O1W Zn1 O2W 81.9(4) . 2_755 ?
O1W Zn1 O2W 91.2(4) 2_755 2_755 ?
O2W Zn1 O2W 92.2(4) . 2_755 ?

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
Co1 S1 C1 C5 85.6(8) . . . . ?
Au2 S1 C1 C5 -38.4(9) 4_656 . . . ?
Co1 S1 C1 C2 -39.2(8) . . . . ?
Au2 S1 C1 C2 -163.2(7) 4_656 . . . ?
Co1 S1 C1 C4 -153.5(7) . . . . ?
Au2 S1 C1 C4 82.5(8) 4_656 . . . ?
C5 C1 C2 N1 -65.7(13) . . . . ?
C4 C1 C2 N1 169.8(10) . . . . ?
S1 C1 C2 N1 58.6(10) . . . . ?
C5 C1 C2 C3 56.9(15) . . . . ?
C4 C1 C2 C3 -67.7(15) . . . . ?
S1 C1 C2 C3 -178.9(10) . . . . ?
C1 C2 N1 Co1 -53.0(11) . . . . ?
C3 C2 N1 Co1 -178.7(8) . . . . ?
N1 C2 C3 O1 -137.2(11) . . . . ?
C1 C2 C3 O1 100.1(13) . . . . ?
N1 C2 C3 O2 41.3(15) . . . . ?
C1 C2 C3 O2 -81.3(15) . . . . ?
O2 C3 O1 Zn1 -14(2) . . . . ?
C2 C3 O1 Zn1 164.8(7) . . . . ?
Co1 S2 C6 C10 82.2(8) . . . . ?
Au2 S2 C6 C10 -44.5(9) . . . . ?
Co1 S2 C6 C9 -155.9(7) . . . . ?
Au2 S2 C6 C9 77.4(8) . . . . ?
Co1 S2 C6 C7 -38.7(7) . . . . ?
Au2 S2 C6 C7 -165.3(6) . . . . ?
C10 C6 C7 N2 -66.5(12) . . . . ?
C9 C6 C7 N2 167.6(10) . . . . ?
S2 C6 C7 N2 55.5(10) . . . . ?
C10 C6 C7 C8 60.3(12) . . . . ?
C9 C6 C7 C8 -65.6(13) . . . . ?
S2 C6 C7 C8 -177.7(8) . . . . ?
C8 C7 N2 Co1 -177.1(8) . . . . ?
C6 C7 N2 Co1 -50.0(11) . . . . ?
N2 C7 C8 O3 16.8(16) . . . . ?
C6 C7 C8 O3 -107.6(13) . . . . ?
N2 C7 C8 O4 -164.1(10) . . . . ?
C6 C7 C8 O4 71.5(13) . . . . ?
Co1 S3 C11 C15 81.3(9) . . . . ?
Au1 S3 C11 C15 -44.2(10) . . . . ?
Co1 S3 C11 C14 -157.4(7) . . . . ?
Au1 S3 C11 C14 77.1(8) . . . . ?
Co1 S3 C11 C12 -41.2(9) . . . . ?
Au1 S3 C11 C12 -166.7(7) . . . . ?
C15 C11 C12 N3 -65.2(13) . . . . ?
C14 C11 C12 N3 167.2(10) . . . . ?
S3 C11 C12 N3 55.7(11) . . . . ?
C15 C11 C12 C13 64.6(18) . . . . ?
C14 C11 C12 C13 -63.1(17) . . . . ?
S3 C11 C12 C13 -174.6(14) . . . . ?
C15 C11 C12 C13B 45.2(19) . . . . ?
C14 C11 C12 C13B -82.5(17) . . . . ?
S3 C11 C12 C13B 166.1(15) . . . . ?
C11 C12 N3 Co1 -48.4(12) . . . . ?
C13 C12 N3 Co1 -171.5(12) . . . . ?
C13B C12 N3 Co1 -168.0(12) . . . . ?
N3 C12 C13 O5 31(3) . . . . ?
C11 C12 C13 O5 -94(3) . . . . ?
C13B C12 C13 O5 20(4) . . . . ?
N3 C12 C13 O6 -146(2) . . . . ?
C11 C12 C13 O6 89(2) . . . . ?
C13B C12 C13 O6 -157(7) . . . . ?
N3 C12 C13B O5B 11(3) . . . . ?
C11 C12 C13B O5B -106(3) . . . . ?
C13 C12 C13B O5B -178(7) . . . . ?
N3 C12 C13B O6B -169.1(16) . . . . ?
C11 C12 C13B O6B 74(2) . . . . ?
C13 C12 C13B O6B 2(4) . . . . ?

_refine_diff_density_max         1.542
_refine_diff_density_min         -1.325
_refine_diff_density_rms         0.203

_shelxl_version_number           2014-3



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

data_[2]
_database_code_depnum_ccdc_archive 'CCDC 1500234'
_audit_update_record             
;
2016-08-23 deposited with the CCDC.
2016-10-06 downloaded from the CCDC.
;


# start Validation Reply Form
_vrf_PLAT602_ALERT_2_A           
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure  
RESPONSE: The crystal structure possess a large void space 
 in a one dimensional structure composed of Na+ cations, 
 [Co2Au3(D-pen-N,S)6]3 anions and {Zn(OAc)2} moieties. 
 The void space should be filled by the solvated water molecules 
 and a part of [Na(H2O)6]+ ions based on the elemental, 
 fluorescence X-ray, and thermogravimetric analyses. 
 However, they are very severely disordered in the void space. 
 Therefore, only main molecules were modeled after SQUEEZE.
;
_vrf_PLAT972_ALERT_2_A           
;
PROBLEM: Check Calcd Residual Density 0.63A From Au2 -4.14 eA-3
RESPONSE: Large residual electron density peaks sit around Au atoms 
 due to Fourier truncation errors.
;
# end Validation Reply Form 

_shelxl_version_number           2014-3
# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.074 -0.005 0.001 29406 7687 ' '
2 0.000 0.275 0.333 25 8 ' '
3 0.000 0.725 0.833 25 8 ' '
4 0.275 0.000 0.000 25 8 ' '
5 0.275 0.275 0.167 25 8 ' '
6 0.725 0.725 0.667 25 8 ' '
7 0.725 1.000 0.500 25 8 ' '
_platon_squeeze_details          
;
;


_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'(Na2 H20 O10), (C4 O4 H8 Zn), 3(C30 H54 Au3 Co2 N6 O12 S6)'
_chemical_formula_sum            'C94 H168 Au9 Co6 N18 Na2 O50 S18 Zn'
_chemical_formula_weight         5165.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -1.7722 8.6100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3512 0.9493 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1220 0.1202 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2937 1.3977 '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      hexagonal
_space_group_IT_number           178
_space_group_name_H-M_alt        'P 61 2 2'
_space_group_name_Hall           'P 61 2 (0 0 -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+1/2'
'-y, -x, -z+5/6'
'y, x, -z+1/3'
'x-y, -y, -z'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/6'
'-x, -x+y, -z+2/3'
'-y, x-y, z+1/3'
'y, -x+y, z+5/6'
'x-y, x, z+1/6'
'-x+y, -x, z+2/3'

_cell_length_a                   44.24850(10)
_cell_length_b                   44.24850(10)
_cell_length_c                   28.44460(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     48231.1(3)
_cell_formula_units_Z            6
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    604824
_cell_measurement_theta_min      1.385
_cell_measurement_theta_max      33.396

_exptl_crystal_description       'hexagonal block'
_exptl_crystal_colour            Purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.067
_exptl_crystal_F_000             14826
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    4.286
_shelx_estimated_absorpt_T_min   0.513
_shelx_estimated_absorpt_T_max   0.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_absorpt_correction_T_min  0.2614
_exptl_absorpt_correction_T_max  0.3011


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'PLSII 2D bending magnet'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            604824
_diffrn_reflns_av_unetI/netI     0.0307
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_k_max       60
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.554
_diffrn_reflns_theta_max         33.396
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.827
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.827
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.815
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             53395
_reflns_number_gt                42041
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.846
_reflns_Friedel_fraction_max     0.800
_reflns_Friedel_fraction_full    0.999

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

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX

_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)+(0.1200P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 17202 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0055(17)
_chemical_absolute_configuration rmad
_refine_ls_number_reflns         53395
_refine_ls_number_parameters     895
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0627
_refine_ls_wR_factor_ref         0.1702
_refine_ls_wR_factor_gt          0.1622
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.002
_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 0.27581(2) 0.36768(2) -0.03805(2) 0.05213(9) Uani 1 1 d . . . . .
Au2 Au 0.23533(2) 0.28870(2) -0.04827(2) 0.04960(8) Uani 1 1 d . . . . .
Au3 Au 0.26891(2) 0.32208(2) 0.04276(2) 0.04768(8) Uani 1 1 d . . . . .
Co1 Co 0.18500(3) 0.32467(3) 0.01606(5) 0.0457(2) Uani 1 1 d . . . . .
Co2 Co 0.33503(3) 0.32886(3) -0.04715(5) 0.0504(3) Uani 1 1 d . . . . .
S1 S 0.22056(6) 0.36007(6) -0.04078(10) 0.0532(5) Uani 1 1 d . . . . .
C1 C 0.2245(3) 0.4029(3) -0.0243(4) 0.059(2) Uani 1 1 d . . . . .
C2 C 0.1878(2) 0.3909(2) -0.0026(4) 0.0509(19) Uani 1 1 d . . . . .
H2 H 0.1696 0.3787 -0.0273 0.061 Uiso 1 1 calc R U . . .
N1 N 0.1814(2) 0.36688(19) 0.0363(3) 0.0496(16) Uani 1 1 d . . . . .
H1A H 0.1596 0.3595 0.0480 0.060 Uiso 1 1 calc R U . . .
H1B H 0.1971 0.3784 0.0596 0.060 Uiso 1 1 calc R U . . .
C3 C 0.1856(3) 0.4234(3) 0.0156(4) 0.055(2) Uani 1 1 d . . . . .
O1 O 0.1921(2) 0.4324(2) 0.0550(3) 0.0603(17) Uani 1 1 d . . . . .
O2 O 0.1768(2) 0.4376(2) -0.0163(3) 0.0635(18) Uani 1 1 d . . . . .
C4 C 0.2534(2) 0.4229(3) 0.0104(4) 0.059(2) Uani 1 1 d . . . . .
H4A H 0.2488 0.4091 0.0392 0.088 Uiso 1 1 calc R U . . .
H4B H 0.2757 0.4275 -0.0032 0.088 Uiso 1 1 calc R U . . .
H4C H 0.2546 0.4450 0.0179 0.088 Uiso 1 1 calc R U . . .
C5 C 0.2311(4) 0.4231(4) -0.0670(5) 0.075(3) Uani 1 1 d . . . . .
H5A H 0.2122 0.4099 -0.0895 0.112 Uiso 1 1 calc R U . . .
H5B H 0.2322 0.4452 -0.0598 0.112 Uiso 1 1 calc R U . . .
H5C H 0.2533 0.4277 -0.0808 0.112 Uiso 1 1 calc R U . . .
S2 S 0.22916(5) 0.33819(5) 0.06622(9) 0.0481(4) Uani 1 1 d . . . . .
C6 C 0.2056(2) 0.3106(2) 0.1175(3) 0.0489(18) Uani 1 1 d . . . . .
C7 C 0.1699(2) 0.3098(2) 0.1178(3) 0.0497(18) Uani 1 1 d . . . . .
H7 H 0.1745 0.3341 0.1229 0.060 Uiso 1 1 calc R U . . .
N2 N 0.15405(18) 0.29804(18) 0.0711(3) 0.0447(14) Uani 1 1 d . . . . .
H2A H 0.1344 0.2997 0.0698 0.054 Uiso 1 1 calc R U . . .
H2B H 0.1475 0.2751 0.0678 0.054 Uiso 1 1 calc R U . . .
C8 C 0.1467(3) 0.2874(3) 0.1556(3) 0.055(2) Uani 1 1 d . . . . .
O3 O 0.1556(2) 0.30039(19) 0.1969(3) 0.0588(16) Uani 1 1 d . . . . .
O4 O 0.1202(2) 0.2573(2) 0.1475(3) 0.073(2) Uani 1 1 d . . . . .
C9 C 0.2008(3) 0.2741(3) 0.1150(4) 0.058(2) Uani 1 1 d . . . . .
H9A H 0.1865 0.2619 0.0876 0.086 Uiso 1 1 calc R U . . .
H9B H 0.2237 0.2758 0.1122 0.086 Uiso 1 1 calc R U . . .
H9C H 0.1892 0.2612 0.1436 0.086 Uiso 1 1 calc R U . . .
C10 C 0.2278(3) 0.3298(3) 0.1601(4) 0.065(3) Uani 1 1 d . . . . .
H10A H 0.2308 0.3533 0.1616 0.097 Uiso 1 1 calc R U . . .
H10B H 0.2162 0.3169 0.1887 0.097 Uiso 1 1 calc R U . . .
H10C H 0.2507 0.3315 0.1573 0.097 Uiso 1 1 calc R U . . .
S3 S 0.18449(6) 0.27630(6) -0.01074(9) 0.0519(5) Uani 1 1 d . . . . .
C11 C 0.1496(2) 0.2614(3) -0.0557(4) 0.053(2) Uani 1 1 d . . . . .
C12 C 0.1241(3) 0.2722(3) -0.0354(4) 0.055(2) Uani 1 1 d . . . . .
H12 H 0.1149 0.2598 -0.0048 0.066 Uiso 1 1 calc R U . . .
N3 N 0.1440(2) 0.3098(2) -0.0264(3) 0.0537(17) Uani 1 1 d . . . . .
H3A H 0.1295 0.3165 -0.0134 0.064 Uiso 1 1 calc R U . . .
H3B H 0.1517 0.3212 -0.0543 0.064 Uiso 1 1 calc R U . . .
C13 C 0.0929(4) 0.2635(4) -0.0682(5) 0.075(3) Uani 1 1 d . . . . .
O5 O 0.0673(3) 0.2319(4) -0.0637(4) 0.102(3) Uani 1 1 d . . . . .
O6 O 0.0947(3) 0.2844(3) -0.0974(4) 0.087(3) Uani 1 1 d . . . . .
C14 C 0.1640(3) 0.2773(3) -0.1044(4) 0.060(2) Uani 1 1 d . . . . .
H14A H 0.1799 0.2696 -0.1155 0.090 Uiso 1 1 calc R U . . .
H14B H 0.1446 0.2697 -0.1267 0.090 Uiso 1 1 calc R U . . .
H14C H 0.1765 0.3028 -0.1022 0.090 Uiso 1 1 calc R U . . .
C15 C 0.1333(4) 0.2215(4) -0.0570(6) 0.084(4) Uani 1 1 d . . . . .
H15A H 0.1502 0.2156 -0.0700 0.127 Uiso 1 1 calc R U . . .
H15B H 0.1270 0.2122 -0.0250 0.127 Uiso 1 1 calc R U . . .
H15C H 0.1123 0.2113 -0.0767 0.127 Uiso 1 1 calc R U . . .
S4 S 0.28443(6) 0.29948(6) -0.08870(10) 0.0536(5) Uani 1 1 d . . . . .
C16 C 0.2823(2) 0.2567(2) -0.0994(4) 0.052(2) Uani 1 1 d . . . . .
C17 C 0.3224(2) 0.2691(2) -0.1041(4) 0.0495(18) Uani 1 1 d . . . . .
H17 H 0.3320 0.2861 -0.1308 0.059 Uiso 1 1 calc R U . . .
N4 N 0.34094(19) 0.28754(19) -0.0611(3) 0.0450(14) Uani 1 1 d . . . . .
H4D H 0.3641 0.2949 -0.0644 0.054 Uiso 1 1 calc R U . . .
H4E H 0.3327 0.2725 -0.0364 0.054 Uiso 1 1 calc R U . . .
C18 C 0.3280(2) 0.2380(2) -0.1159(3) 0.0510(19) Uani 1 1 d . . . . .
O7 O 0.3313(2) 0.22106(19) -0.0837(3) 0.0604(17) Uani 1 1 d . . . . .
O8 O 0.3275(2) 0.2315(2) -0.1599(3) 0.072(2) Uani 1 1 d . . . . .
C19 C 0.2649(3) 0.2320(2) -0.0599(4) 0.062(3) Uani 1 1 d . . . . .
H19A H 0.2782 0.2419 -0.0309 0.093 Uiso 1 1 calc R U . . .
H19B H 0.2412 0.2280 -0.0560 0.093 Uiso 1 1 calc R U . . .
H19C H 0.2639 0.2098 -0.0667 0.093 Uiso 1 1 calc R U . . .
C20 C 0.2627(3) 0.2426(4) -0.1466(5) 0.076(3) Uani 1 1 d . . . . .
H20A H 0.2751 0.2596 -0.1716 0.114 Uiso 1 1 calc R U . . .
H20B H 0.2616 0.2205 -0.1544 0.114 Uiso 1 1 calc R U . . .
H20C H 0.2389 0.2387 -0.1437 0.114 Uiso 1 1 calc R U . . .
S5 S 0.30947(5) 0.30620(6) 0.02273(10) 0.0537(5) Uani 1 1 d . . . . .
C21 C 0.3466(3) 0.3277(3) 0.0631(4) 0.060(2) Uani 1 1 d . . . . .
C22 C 0.3784(2) 0.3327(2) 0.0341(4) 0.053(2) Uani 1 1 d . . . . .
H22 H 0.3752 0.3091 0.0270 0.064 Uiso 1 1 calc R U . . .
N5 N 0.3801(2) 0.3505(2) -0.0118(3) 0.0568(19) Uani 1 1 d . . . . .
H5D H 0.3967 0.3500 -0.0303 0.068 Uiso 1 1 calc R U . . .
H5E H 0.3869 0.3732 -0.0059 0.068 Uiso 1 1 calc R U . . .
C23 C 0.4133(3) 0.3539(4) 0.0624(6) 0.075(3) Uani 1 1 d . . . . .
O9 O 0.4337(3) 0.3852(3) 0.0488(5) 0.115(4) Uani 1 1 d . . . . .
O10 O 0.4198(3) 0.3381(3) 0.0894(4) 0.092(3) Uani 1 1 d . . . . .
C24 C 0.3514(3) 0.3628(3) 0.0811(5) 0.074(3) Uani 1 1 d . . . . .
H24A H 0.3308 0.3585 0.0992 0.111 Uiso 1 1 calc R U . . .
H24B H 0.3721 0.3741 0.1013 0.111 Uiso 1 1 calc R U . . .
H24C H 0.3544 0.3779 0.0543 0.111 Uiso 1 1 calc R U . . .
C25 C 0.3393(3) 0.3023(4) 0.1049(5) 0.076(3) Uani 1 1 d . . . . .
H25A H 0.3363 0.2802 0.0930 0.115 Uiso 1 1 calc R U . . .
H25B H 0.3590 0.3128 0.1268 0.115 Uiso 1 1 calc R U . . .
H25C H 0.3180 0.2981 0.1212 0.115 Uiso 1 1 calc R U . . .
S6 S 0.33228(6) 0.37833(6) -0.03799(11) 0.0595(6) Uani 1 1 d . . . . .
C26 C 0.3529(3) 0.4038(3) -0.0927(6) 0.078(4) Uani 1 1 d . . . . .
C27 C 0.3797(3) 0.3907(3) -0.1066(5) 0.077(3) Uani 1 1 d D . . . .
H27 H 0.3979 0.3988 -0.0815 0.093 Uiso 1 1 calc R U . . .
N6 N 0.3603(2) 0.3513(2) -0.1064(4) 0.063(2) Uani 1 1 d . . . . .
H6A H 0.3759 0.3440 -0.1124 0.075 Uiso 1 1 calc R U . . .
H6B H 0.3446 0.3437 -0.1304 0.075 Uiso 1 1 calc R U . . .
C28 C 0.3986(6) 0.4081(7) -0.1537(8) 0.132(8) Uani 1 1 d D U . . .
O11 O 0.3866(3) 0.3888(3) -0.1902(5) 0.100(3) Uani 1 1 d . . . . .
O12 O 0.4238(4) 0.4374(4) -0.1496(6) 0.116(4) Uani 1 1 d . U . . .
C29 C 0.3254(5) 0.3928(4) -0.1314(5) 0.091(4) Uani 1 1 d . . . . .
H29A H 0.3146 0.3676 -0.1367 0.137 Uiso 1 1 calc R U . . .
H29B H 0.3076 0.3985 -0.1219 0.137 Uiso 1 1 calc R U . . .
H29C H 0.3366 0.4053 -0.1605 0.137 Uiso 1 1 calc R U . . .
C30 C 0.3664(5) 0.4390(5) -0.0880(7) 0.103(5) Uani 1 1 d . . . . .
H30A H 0.3844 0.4478 -0.0634 0.154 Uiso 1 1 calc R U . . .
H30B H 0.3768 0.4506 -0.1178 0.154 Uiso 1 1 calc R U . . .
H30C H 0.3478 0.4438 -0.0792 0.154 Uiso 1 1 calc R U . . .
Au4 Au 0.15034(2) 0.57517(2) 0.0833 0.05935(15) Uani 1 2 d S T P . .
Au5 Au 0.21801(2) 0.61749(2) 0.03242(2) 0.05659(10) Uani 1 1 d . . . . .
Co3 Co 0.19527(3) 0.52356(3) 0.05358(6) 0.0537(3) Uani 1 1 d . . . . .
S7 S 0.14929(6) 0.53168(6) 0.03895(12) 0.0633(7) Uani 1 1 d . . . . .
C31 C 0.1123(3) 0.4892(2) 0.0602(4) 0.056(2) Uani 1 1 d . . . . .
C32 C 0.1246(3) 0.4636(2) 0.0481(4) 0.059(2) Uani 1 1 d . . . . .
H32 H 0.1285 0.4643 0.0134 0.071 Uiso 1 1 calc R U . . .
N7 N 0.1587(2) 0.4748(2) 0.0723(3) 0.0531(17) Uani 1 1 d . . . . .
H7A H 0.1663 0.4597 0.0650 0.064 Uiso 1 1 calc R U . . .
H7B H 0.1554 0.4740 0.1040 0.064 Uiso 1 1 calc R U . . .
C33 C 0.0979(3) 0.4264(3) 0.0619(4) 0.056(2) Uani 1 1 d . . . . .
O13 O 0.09794(19) 0.41640(18) 0.1055(3) 0.0618(17) Uani 1 1 d . . . . .
O14 O 0.0762(2) 0.4074(2) 0.0314(3) 0.072(2) Uani 1 1 d . . . . .
C34 C 0.1041(3) 0.4903(3) 0.1099(4) 0.067(3) Uani 1 1 d . . . . .
H34A H 0.1240 0.4942 0.1293 0.101 Uiso 1 1 calc R U . . .
H34B H 0.0992 0.5094 0.1148 0.101 Uiso 1 1 calc R U . . .
H34C H 0.0835 0.4682 0.1187 0.101 Uiso 1 1 calc R U . . .
C35 C 0.0824(4) 0.4834(4) 0.0318(7) 0.103(6) Uani 1 1 d . . . . .
H35A H 0.0876 0.4826 -0.0015 0.155 Uiso 1 1 calc R U . . .
H35B H 0.0619 0.4613 0.0408 0.155 Uiso 1 1 calc R U . . .
H35C H 0.0776 0.5026 0.0370 0.155 Uiso 1 1 calc R U . . .
S8 S 0.20175(6) 0.54245(6) 0.12868(11) 0.0576(6) Uani 1 1 d . . . . .
C36 C 0.2396(3) 0.5383(3) 0.1485(4) 0.060(2) Uani 1 1 d . . . . .
C37 C 0.2347(3) 0.5061(3) 0.1234(5) 0.066(3) Uani 1 1 d . . . . .
H37 H 0.2125 0.4854 0.1344 0.079 Uiso 1 1 calc R U . . .
N8 N 0.2319(2) 0.5114(2) 0.0706(3) 0.0563(18) Uani 1 1 d . . . . .
H8A H 0.2272 0.4914 0.0553 0.068 Uiso 1 1 calc R U . . .
H8B H 0.2530 0.5287 0.0602 0.068 Uiso 1 1 calc R U . . .
C38 C 0.2646(4) 0.4989(4) 0.1299(7) 0.092(4) Uani 1 1 d . . . . .
O15 O 0.2877(3) 0.5056(4) 0.0962(5) 0.109(4) Uani 1 1 d . . . . .
O16 O 0.2656(3) 0.4873(3) 0.1727(4) 0.098(3) Uani 1 1 d . . . . .
C39 C 0.2733(3) 0.5710(3) 0.1335(5) 0.068(3) Uani 1 1 d . . . . .
H39A H 0.2735 0.5735 0.0992 0.101 Uiso 1 1 calc R U . . .
H39B H 0.2746 0.5916 0.1485 0.101 Uiso 1 1 calc R U . . .
H39C H 0.2934 0.5689 0.1431 0.101 Uiso 1 1 calc R U . . .
C40 C 0.2389(4) 0.5340(4) 0.1994(5) 0.080(4) Uani 1 1 d . . . . .
H40A H 0.2421 0.5553 0.2147 0.121 Uiso 1 1 calc R U . . .
H40B H 0.2164 0.5142 0.2088 0.121 Uiso 1 1 calc R U . . .
H40C H 0.2577 0.5297 0.2089 0.121 Uiso 1 1 calc R U . . .
S9 S 0.23515(6) 0.57655(6) 0.02477(12) 0.0628(7) Uani 1 1 d . . . . .
C41 C 0.2341(3) 0.5666(3) -0.0384(5) 0.071(3) Uani 1 1 d . . . . .
C42 C 0.2257(4) 0.5286(3) -0.0421(5) 0.078(3) Uani 1 1 d . . . . .
H42 H 0.2449 0.5272 -0.0255 0.094 Uiso 1 1 calc R U . . .
N9 N 0.1927(2) 0.5068(2) -0.0136(3) 0.062(2) Uani 1 1 d . . . . .
H9D H 0.1882 0.4844 -0.0129 0.074 Uiso 1 1 calc R U . . .
H9E H 0.1746 0.5070 -0.0284 0.074 Uiso 1 1 calc R U . . .
C43 C 0.2236(5) 0.5145(4) -0.0900(6) 0.093(5) Uani 1 1 d . . . . .
O17 O 0.1935(4) 0.4975(4) -0.1076(5) 0.113(4) Uani 1 1 d . . . . .
O18 O 0.2506(4) 0.5182(4) -0.1097(5) 0.110(4) Uani 1 1 d . . . . .
C44 C 0.2063(4) 0.5715(4) -0.0642(5) 0.081(4) Uani 1 1 d . . . . .
H44A H 0.2121 0.5959 -0.0615 0.122 Uiso 1 1 calc R U . . .
H44B H 0.2057 0.5655 -0.0975 0.122 Uiso 1 1 calc R U . . .
H44C H 0.1834 0.5563 -0.0500 0.122 Uiso 1 1 calc R U . . .
C45 C 0.2722(4) 0.5915(4) -0.0571(6) 0.097(5) Uani 1 1 d . . . . .
H45A H 0.2887 0.5872 -0.0395 0.146 Uiso 1 1 calc R U . . .
H45B H 0.2734 0.5869 -0.0905 0.146 Uiso 1 1 calc R U . . .
H45C H 0.2782 0.6158 -0.0529 0.146 Uiso 1 1 calc R U . . .
Zn1 Zn 0.13389(3) 0.26778(5) 0.2500 0.0842(7) Uani 1 2 d S T P . .
C46 C 0.0650(5) 0.2561(4) 0.2404(8) 0.108(6) Uani 1 1 d D U . . .
C47 C 0.0253(5) 0.2407(7) 0.2453(14) 0.207(15) Uani 1 1 d D U . . .
H47A H 0.0197 0.2595 0.2425 0.310 Uiso 1 1 calc R U . . .
H47B H 0.0177 0.2295 0.2762 0.310 Uiso 1 1 calc R U . . .
H47C H 0.0132 0.2234 0.2206 0.310 Uiso 1 1 calc R U . . .
O19 O 0.0828(4) 0.2396(3) 0.2529(5) 0.119(4) Uani 1 1 d D . . . .
O20 O 0.0815(4) 0.2860(3) 0.2308(5) 0.110(4) Uani 1 1 d D . . . .
Na1 Na 0.16671(14) 0.40182(13) 0.20984(18) 0.0722(11) Uani 1 1 d . . . . .
O21 O 0.18126(13) 0.3625(3) 0.2500 0.059(2) Uani 1 2 d S T P . .
O22 O 0.1973(2) 0.4005(2) 0.1382(3) 0.070(2) Uani 1 1 d . . . . .
O23 O 0.1115(2) 0.3504(2) 0.1787(3) 0.074(2) Uani 1 1 d . . . . .
O24 O 0.1537(2) 0.4435(2) 0.1711(3) 0.077(2) Uani 1 1 d . . . . .
O25 O 0.22364(16) 0.4473(3) 0.2500 0.075(3) Uani 1 2 d S T P . .
O26 O 0.1325(3) 0.4017(3) 0.2704(4) 0.103(3) 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 S1 2.296(2) . ?
Au1 S6 2.300(2) . ?
Au1 Au3 2.9722(5) . ?
Au1 Au2 3.0410(5) . ?
Au2 S4 2.288(2) . ?
Au2 S3 2.295(2) . ?
Au2 Au3 2.9831(5) . ?
Au3 S5 2.302(2) . ?
Au3 S2 2.302(2) . ?
Co1 N3 1.996(9) . ?
Co1 N2 2.025(7) . ?
Co1 N1 2.036(7) . ?
Co1 S2 2.246(3) . ?
Co1 S1 2.254(3) . ?
Co1 S3 2.261(2) . ?
Co2 N6 1.993(9) . ?
Co2 N5 2.000(8) . ?
Co2 N4 2.012(7) . ?
Co2 S5 2.258(3) . ?
Co2 S6 2.267(2) . ?
Co2 S4 2.278(3) . ?
S1 C1 1.873(10) . ?
C1 C5 1.449(16) . ?
C1 C4 1.504(15) . ?
C1 C2 1.562(13) . ?
C2 N1 1.459(12) . ?
C2 C3 1.577(14) . ?
C3 O1 1.176(13) . ?
C3 O2 1.272(13) . ?
S2 C6 1.854(10) . ?
C6 C10 1.521(15) . ?
C6 C9 1.522(14) . ?
C6 C7 1.560(12) . ?
C7 N2 1.469(12) . ?
C7 C8 1.477(14) . ?
C8 O4 1.280(13) . ?
C8 O3 1.281(12) . ?
O3 Zn1 1.974(7) . ?
S3 C11 1.853(10) . ?
C11 C12 1.539(14) . ?
C11 C15 1.540(17) . ?
C11 C14 1.540(15) . ?
C12 N3 1.465(13) . ?
C12 C13 1.547(17) . ?
C13 O6 1.215(17) . ?
C13 O5 1.291(19) . ?
S4 C16 1.875(8) . ?
C16 C19 1.486(15) . ?
C16 C20 1.550(17) . ?
C16 C17 1.579(12) . ?
C17 N4 1.471(11) . ?
C17 C18 1.550(13) . ?
C18 O7 1.239(12) . ?
C18 O8 1.282(13) . ?
S5 C21 1.832(11) . ?
C21 C24 1.543(15) . ?
C21 C22 1.551(14) . ?
C21 C25 1.556(18) . ?
C22 N5 1.505(14) . ?
C22 C23 1.570(15) . ?
C23 O10 1.163(18) . ?
C23 O9 1.276(18) . ?
S6 C26 1.871(15) . ?
C26 C30 1.37(2) . ?
C26 C29 1.53(2) . ?
C26 C27 1.611(17) . ?
C27 N6 1.509(16) . ?
C27 C28 1.562(14) . ?
C28 O12 1.22(3) . ?
C28 O11 1.28(3) . ?
Au4 S7 2.282(3) . ?
Au4 S7 2.282(3) 7_565 ?
Au4 Au5 2.9939(5) . ?
Au4 Au5 2.9941(5) 7_565 ?
Au5 S9 2.297(2) . ?
Au5 S8 2.301(2) 7_565 ?
Au5 Au5 2.9924(9) 7_565 ?
Co3 N8 2.007(8) . ?
Co3 N7 2.017(8) . ?
Co3 N9 2.031(10) . ?
Co3 S8 2.259(4) . ?
Co3 S9 2.268(2) . ?
Co3 S7 2.274(3) . ?
S7 C31 1.872(10) . ?
C31 C35 1.46(2) . ?
C31 C34 1.466(16) . ?
C31 C32 1.524(14) . ?
C32 N7 1.497(14) . ?
C32 C33 1.522(14) . ?
C33 O14 1.255(13) . ?
C33 O13 1.315(14) . ?
S8 C36 1.863(11) . ?
S8 Au5 2.301(2) 7_565 ?
C36 C40 1.457(19) . ?
C36 C37 1.507(16) . ?
C36 C39 1.532(15) . ?
C37 C38 1.521(19) . ?
C37 N8 1.534(16) . ?
C38 O15 1.32(2) . ?
C38 O16 1.33(2) . ?
S9 C41 1.845(14) . ?
C41 C44 1.54(2) . ?
C41 C42 1.534(18) . ?
C41 C45 1.574(19) . ?
C42 C43 1.48(2) . ?
C42 N9 1.518(15) . ?
C43 O18 1.25(2) . ?
C43 O17 1.26(2) . ?
Zn1 O19 1.961(14) . ?
Zn1 O19 1.961(14) 6 ?
Zn1 O3 1.974(7) 6 ?
C46 O20 1.180(16) . ?
C46 O19 1.362(17) . ?
C46 C47 1.544(14) . ?
Na1 O26 2.293(13) . ?
Na1 O21 2.422(8) . ?
Na1 O24 2.454(11) . ?
Na1 O22 2.463(10) . ?
Na1 O23 2.523(11) . ?
Na1 O25 2.575(10) . ?
Na1 Na1 3.793(10) 6 ?
O21 Na1 2.422(8) 6 ?
O25 Na1 2.575(9) 6 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Au1 S6 176.53(9) . . ?
S1 Au1 Au3 100.73(7) . . ?
S6 Au1 Au3 82.57(8) . . ?
S1 Au1 Au2 81.73(6) . . ?
S6 Au1 Au2 100.99(6) . . ?
Au3 Au1 Au2 59.471(12) . . ?
S4 Au2 S3 177.22(9) . . ?
S4 Au2 Au3 98.46(7) . . ?
S3 Au2 Au3 84.30(6) . . ?
S4 Au2 Au1 81.73(6) . . ?
S3 Au2 Au1 100.01(6) . . ?
Au3 Au2 Au1 59.118(12) . . ?
S5 Au3 S2 177.45(10) . . ?
S5 Au3 Au1 100.64(7) . . ?
S2 Au3 Au1 81.31(6) . . ?
S5 Au3 Au2 84.57(7) . . ?
S2 Au3 Au2 97.85(6) . . ?
Au1 Au3 Au2 61.411(13) . . ?
N3 Co1 N2 92.1(3) . . ?
N3 Co1 N1 89.8(3) . . ?
N2 Co1 N1 88.6(3) . . ?
N3 Co1 S2 176.4(3) . . ?
N2 Co1 S2 84.8(2) . . ?
N1 Co1 S2 91.9(2) . . ?
N3 Co1 S1 89.9(3) . . ?
N2 Co1 S1 173.2(2) . . ?
N1 Co1 S1 85.0(2) . . ?
S2 Co1 S1 93.36(10) . . ?
N3 Co1 S3 84.7(2) . . ?
N2 Co1 S3 91.5(2) . . ?
N1 Co1 S3 174.5(2) . . ?
S2 Co1 S3 93.56(9) . . ?
S1 Co1 S3 95.11(10) . . ?
N6 Co2 N5 90.6(4) . . ?
N6 Co2 N4 89.4(3) . . ?
N5 Co2 N4 89.0(3) . . ?
N6 Co2 S5 176.1(3) . . ?
N5 Co2 S5 85.8(3) . . ?
N4 Co2 S5 92.0(2) . . ?
N6 Co2 S6 84.5(3) . . ?
N5 Co2 S6 90.2(2) . . ?
N4 Co2 S6 173.8(2) . . ?
S5 Co2 S6 94.06(10) . . ?
N6 Co2 S4 89.5(3) . . ?
N5 Co2 S4 174.1(2) . . ?
N4 Co2 S4 85.2(2) . . ?
S5 Co2 S4 94.14(10) . . ?
S6 Co2 S4 95.66(10) . . ?
C1 S1 Co1 101.7(3) . . ?
C1 S1 Au1 106.8(3) . . ?
Co1 S1 Au1 113.57(11) . . ?
C5 C1 C4 109.9(10) . . ?
C5 C1 C2 113.3(9) . . ?
C4 C1 C2 111.9(9) . . ?
C5 C1 S1 107.6(9) . . ?
C4 C1 S1 112.4(7) . . ?
C2 C1 S1 101.6(6) . . ?
N1 C2 C1 109.8(7) . . ?
N1 C2 C3 109.7(8) . . ?
C1 C2 C3 110.4(8) . . ?
C2 N1 Co1 112.2(6) . . ?
O1 C3 O2 126.7(10) . . ?
O1 C3 C2 120.3(9) . . ?
O2 C3 C2 113.0(9) . . ?
C6 S2 Co1 101.3(3) . . ?
C6 S2 Au3 106.9(3) . . ?
Co1 S2 Au3 115.53(11) . . ?
C10 C6 C9 109.7(9) . . ?
C10 C6 C7 112.0(8) . . ?
C9 C6 C7 111.9(8) . . ?
C10 C6 S2 105.4(7) . . ?
C9 C6 S2 113.2(7) . . ?
C7 C6 S2 104.4(6) . . ?
N2 C7 C8 111.9(7) . . ?
N2 C7 C6 107.7(7) . . ?
C8 C7 C6 112.0(8) . . ?
C7 N2 Co1 115.4(5) . . ?
O4 C8 O3 123.3(10) . . ?
O4 C8 C7 122.3(9) . . ?
O3 C8 C7 114.4(9) . . ?
C8 O3 Zn1 116.4(7) . . ?
C11 S3 Co1 100.4(3) . . ?
C11 S3 Au2 107.8(3) . . ?
Co1 S3 Au2 112.69(10) . . ?
C12 C11 C15 111.6(9) . . ?
C12 C11 C14 113.2(9) . . ?
C15 C11 C14 110.7(10) . . ?
C12 C11 S3 103.9(7) . . ?
C15 C11 S3 104.6(8) . . ?
C14 C11 S3 112.3(7) . . ?
N3 C12 C11 107.5(8) . . ?
N3 C12 C13 110.1(9) . . ?
C11 C12 C13 113.4(9) . . ?
C12 N3 Co1 114.2(6) . . ?
O6 C13 O5 125.2(14) . . ?
O6 C13 C12 120.8(13) . . ?
O5 C13 C12 113.8(13) . . ?
C16 S4 Co2 101.5(3) . . ?
C16 S4 Au2 108.0(3) . . ?
Co2 S4 Au2 114.72(12) . . ?
C19 C16 C20 112.3(9) . . ?
C19 C16 C17 113.6(9) . . ?
C20 C16 C17 111.9(8) . . ?
C19 C16 S4 111.3(6) . . ?
C20 C16 S4 106.3(8) . . ?
C17 C16 S4 100.5(6) . . ?
N4 C17 C18 112.3(8) . . ?
N4 C17 C16 109.9(7) . . ?
C18 C17 C16 111.0(7) . . ?
C17 N4 Co2 112.3(5) . . ?
O7 C18 O8 125.3(9) . . ?
O7 C18 C17 119.9(9) . . ?
O8 C18 C17 114.7(9) . . ?
C21 S5 Co2 101.6(4) . . ?
C21 S5 Au3 108.6(3) . . ?
Co2 S5 Au3 112.09(11) . . ?
C24 C21 C22 112.0(9) . . ?
C24 C21 C25 110.2(11) . . ?
C22 C21 C25 110.8(9) . . ?
C24 C21 S5 111.6(7) . . ?
C22 C21 S5 104.8(7) . . ?
C25 C21 S5 107.2(8) . . ?
N5 C22 C21 109.8(8) . . ?
N5 C22 C23 110.9(9) . . ?
C21 C22 C23 111.5(9) . . ?
C22 N5 Co2 114.2(6) . . ?
O10 C23 O9 126.8(13) . . ?
O10 C23 C22 116.2(12) . . ?
O9 C23 C22 116.2(13) . . ?
C26 S6 Co2 104.0(4) . . ?
C26 S6 Au1 105.9(4) . . ?
Co2 S6 Au1 112.30(10) . . ?
C30 C26 C29 105.2(14) . . ?
C30 C26 C27 116.8(12) . . ?
C29 C26 C27 108.6(12) . . ?
C30 C26 S6 114.1(13) . . ?
C29 C26 S6 109.7(9) . . ?
C27 C26 S6 102.2(9) . . ?
N6 C27 C28 115.3(14) . . ?
N6 C27 C26 108.6(9) . . ?
C28 C27 C26 109.9(13) . . ?
C27 N6 Co2 115.6(8) . . ?
O12 C28 O11 129.9(17) . . ?
O12 C28 C27 115(2) . . ?
O11 C28 C27 115.2(19) . . ?
S7 Au4 S7 177.98(12) . 7_565 ?
S7 Au4 Au5 81.50(6) . . ?
S7 Au4 Au5 100.28(7) 7_565 . ?
S7 Au4 Au5 100.28(7) . 7_565 ?
S7 Au4 Au5 81.50(6) 7_565 7_565 ?
Au5 Au4 Au5 59.965(19) . 7_565 ?
S9 Au5 S8 178.25(11) . 7_565 ?
S9 Au5 Au5 81.51(8) . 7_565 ?
S8 Au5 Au5 100.03(8) 7_565 7_565 ?
S9 Au5 Au4 100.02(6) . . ?
S8 Au5 Au4 81.51(6) 7_565 . ?
Au5 Au5 Au4 60.020(9) 7_565 . ?
N8 Co3 N7 88.5(3) . . ?
N8 Co3 N9 92.0(4) . . ?
N7 Co3 N9 89.5(3) . . ?
N8 Co3 S8 84.3(3) . . ?
N7 Co3 S8 91.8(3) . . ?
N9 Co3 S8 176.0(3) . . ?
N8 Co3 S9 92.9(2) . . ?
N7 Co3 S9 174.2(3) . . ?
N9 Co3 S9 84.8(3) . . ?
S8 Co3 S9 94.02(11) . . ?
N8 Co3 S7 173.3(2) . . ?
N7 Co3 S7 85.0(2) . . ?
N9 Co3 S7 89.7(3) . . ?
S8 Co3 S7 94.16(11) . . ?
S9 Co3 S7 93.77(10) . . ?
C31 S7 Co3 100.7(3) . . ?
C31 S7 Au4 107.9(3) . . ?
Co3 S7 Au4 112.90(13) . . ?
C35 C31 C34 108.8(11) . . ?
C35 C31 C32 112.1(10) . . ?
C34 C31 C32 115.5(9) . . ?
C35 C31 S7 104.9(9) . . ?
C34 C31 S7 112.5(8) . . ?
C32 C31 S7 102.4(6) . . ?
N7 C32 C33 110.4(8) . . ?
N7 C32 C31 108.9(9) . . ?
C33 C32 C31 111.8(8) . . ?
C32 N7 Co3 111.7(6) . . ?
O14 C33 O13 123.8(10) . . ?
O14 C33 C32 117.7(10) . . ?
O13 C33 C32 118.4(9) . . ?
C36 S8 Co3 101.8(4) . . ?
C36 S8 Au5 107.2(4) . 7_565 ?
Co3 S8 Au5 112.90(11) . 7_565 ?
C40 C36 C37 111.4(10) . . ?
C40 C36 C39 110.3(11) . . ?
C37 C36 C39 111.9(9) . . ?
C40 C36 S8 110.6(8) . . ?
C37 C36 S8 103.7(8) . . ?
C39 C36 S8 108.7(7) . . ?
C36 C37 C38 114.3(11) . . ?
C36 C37 N8 107.8(8) . . ?
C38 C37 N8 107.1(11) . . ?
C37 N8 Co3 114.5(6) . . ?
O15 C38 O16 125.3(14) . . ?
O15 C38 C37 121.6(14) . . ?
O16 C38 C37 113.0(15) . . ?
C41 S9 Co3 101.0(4) . . ?
C41 S9 Au5 107.6(4) . . ?
Co3 S9 Au5 112.82(11) . . ?
C44 C41 C42 110.4(12) . . ?
C44 C41 C45 113.1(12) . . ?
C42 C41 C45 109.5(11) . . ?
C44 C41 S9 110.8(9) . . ?
C42 C41 S9 107.0(9) . . ?
C45 C41 S9 105.8(10) . . ?
C43 C42 N9 112.8(12) . . ?
C43 C42 C41 117.0(12) . . ?
N9 C42 C41 106.8(10) . . ?
C42 N9 Co3 114.3(8) . . ?
O18 C43 O17 123.7(17) . . ?
O18 C43 C42 120.1(18) . . ?
O17 C43 C42 116.1(15) . . ?
O19 Zn1 O19 113.2(8) . 6 ?
O19 Zn1 O3 102.5(5) . 6 ?
O19 Zn1 O3 118.8(5) 6 6 ?
O19 Zn1 O3 118.8(5) . . ?
O19 Zn1 O3 102.5(5) 6 . ?
O3 Zn1 O3 101.4(4) 6 . ?
O20 C46 O19 117.5(18) . . ?
O20 C46 C47 116.4(17) . . ?
O19 C46 C47 125.3(18) . . ?
C46 O19 Zn1 116.0(11) . . ?
O26 Na1 O21 93.2(4) . . ?
O26 Na1 O24 86.3(4) . . ?
O21 Na1 O24 177.7(4) . . ?
O26 Na1 O22 172.8(5) . . ?
O21 Na1 O22 91.5(3) . . ?
O24 Na1 O22 89.1(3) . . ?
O26 Na1 O23 85.5(4) . . ?
O21 Na1 O23 90.2(3) . . ?
O24 Na1 O23 92.0(4) . . ?
O22 Na1 O23 89.0(3) . . ?
O26 Na1 O25 93.2(4) . . ?
O21 Na1 O25 81.0(3) . . ?
O24 Na1 O25 96.8(3) . . ?
O22 Na1 O25 92.9(3) . . ?
O23 Na1 O25 171.0(4) . . ?
O26 Na1 Na1 94.2(4) . 6 ?
O21 Na1 Na1 38.5(2) . 6 ?
O24 Na1 Na1 139.3(3) . 6 ?
O22 Na1 Na1 92.9(3) . 6 ?
O23 Na1 Na1 128.6(2) . 6 ?
O25 Na1 Na1 42.6(2) . 6 ?
Na1 O21 Na1 103.1(4) 6 . ?
Na1 O25 Na1 94.9(4) . 6 ?

_refine_diff_density_max         1.137
_refine_diff_density_min         -4.013
_refine_diff_density_rms         0.189

