# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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 
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data_DL-2
_database_code_depnum_ccdc_archive 'CCDC 1849565'
_audit_update_record             
;
2018-08-23 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT043_DL-2                
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      44.34 Check
RESPONSE: The contributions of the H atoms of water molecules, which were unable to locate, was included in the formula. Therefore, the calculated and reported molecular weight differ.
;
_vrf_PLAT306_DL-2                
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O9 Check
RESPONSE: The H atoms of water molecules were unable to locate. These alerts are due to the lack of H atom of water molecules.
;
_vrf_PLAT430_DL-2                
;
PROBLEM: Short Inter D...A Contact  O1       ..O12              2.77 Ang.
RESPONSE: The distance are all within the regular hydrogen bond distances. These alerts appeared due to the absence of H atom of water molecules.
;
_vrf_PLAT910_DL-2                
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         17 Note
RESPONSE: We cut these low angle diffraction data because they were hidden by beam stopper., 
;
# Added during the CSD deposition process: Thursday 23 August 2018 04:16 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H48 Cu2 N8 O8 Pt2 S4, 22(H2 O)'
_chemical_formula_sum            'C20 H92 Cu2 N8 O30 Pt2 S4'
_chemical_formula_weight         1570.51

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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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                   11.068(3)
_cell_length_b                   12.106(3)
_cell_length_c                   23.836(6)
_cell_angle_alpha                83.695(6)
_cell_angle_beta                 77.972(6)
_cell_angle_gamma                65.270(6)
_cell_volume                     2836.3(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    10301
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.57

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_F_000             1572
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    5.889
_shelx_estimated_absorpt_T_min   0.590
_shelx_estimated_absorpt_T_max   0.650
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.261
_exptl_absorpt_correction_T_max  0.394
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku FR-E SuperBright'
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            19092
_diffrn_reflns_av_unetI/netI     0.0511
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.015
_diffrn_reflns_theta_max         25.349
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.967
_reflns_number_total             10046
_reflns_number_gt                8337
_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       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_molecular_graphics    Mercury
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0486P)²+13.4675P] 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         10046
_refine_ls_number_parameters     607
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1148
_refine_ls_wR_factor_gt          0.1075
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_restrained_S_all      1.103
_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
Pt1 Pt 0.73144(3) 0.09841(3) 0.76338(2) 0.02753(10) Uani 1 1 d . . . . .
Pt2 Pt 0.54996(3) 0.38761(3) 0.75743(2) 0.02644(10) Uani 1 1 d . . . . .
Cu1 Cu 0.55627(11) 0.24511(12) 0.91345(4) 0.0426(3) Uani 1 1 d . . . . .
Cu2 Cu 0.72450(9) 0.24136(8) 0.60691(4) 0.0236(2) Uani 1 1 d . . . . .
S1 S 0.7545(2) 0.1364(2) 0.85331(8) 0.0391(5) Uani 1 1 d . . . . .
S2 S 0.68524(19) 0.10210(17) 0.67277(8) 0.0253(4) Uani 1 1 d . . . . .
S3 S 0.4304(2) 0.3521(2) 0.84446(8) 0.0365(5) Uani 1 1 d . . . . .
S4 S 0.69809(19) 0.38123(17) 0.67173(7) 0.0231(4) Uani 1 1 d . . . . .
O1 O 0.4896(6) 0.0671(6) 0.9216(2) 0.0409(15) Uani 1 1 d . . . . .
O2 O 0.6126(7) -0.1329(7) 0.9325(3) 0.0515(17) Uani 1 1 d . . . . .
O3 O 0.9449(6) -0.1050(5) 0.4968(3) 0.0396(14) Uani 1 1 d . . . . .
O4 O 0.7964(5) -0.1868(5) 0.5304(2) 0.0337(13) Uani 1 1 d . . . . .
O5 O 0.6090(6) 0.4354(6) 0.9220(2) 0.0409(15) Uani 1 1 d . . . . .
O6 O 0.4704(7) 0.6316(7) 0.9317(3) 0.0519(17) Uani 1 1 d . . . . .
O7 O 0.4917(5) 0.3696(5) 0.5924(2) 0.0291(12) Uani 1 1 d . . . . .
O8 O 0.3828(5) 0.5653(5) 0.5684(2) 0.0310(13) Uani 1 1 d . . . . .
N1 N 0.5605(7) 0.0690(7) 0.7943(3) 0.0419(19) Uani 1 1 d . . . . .
H1 H 0.5796 -0.0113 0.7919 0.063 Uiso 1 1 calc R U . . .
H1A H 0.4957 0.1139 0.7731 0.063 Uiso 1 1 calc R U . . .
H1B H 0.5299 0.0913 0.8316 0.063 Uiso 1 1 calc R U . . .
N2 N 0.9110(6) 0.1145(6) 0.7322(3) 0.0307(15) Uani 1 1 d . . . . .
H2 H 0.9810 0.0439 0.7393 0.046 Uiso 1 1 calc R U . . .
H2A H 0.9129 0.1766 0.7497 0.046 Uiso 1 1 calc R U . . .
H2B H 0.9186 0.1301 0.6937 0.046 Uiso 1 1 calc R U . . .
N3 N 0.6855(7) 0.4156(7) 0.7949(3) 0.0367(17) Uani 1 1 d . . . . .
H3 H 0.6710 0.4956 0.7910 0.055 Uiso 1 1 calc R U . . .
H3A H 0.7712 0.3694 0.7775 0.055 Uiso 1 1 calc R U . . .
H3B H 0.6743 0.3943 0.8328 0.055 Uiso 1 1 calc R U . . .
N4 N 0.4036(6) 0.3775(6) 0.7198(3) 0.0286(15) Uani 1 1 d . . . . .
H4 H 0.3283 0.4484 0.7249 0.043 Uiso 1 1 calc R U . . .
H4A H 0.3825 0.3149 0.7363 0.043 Uiso 1 1 calc R U . . .
H4B H 0.4352 0.3647 0.6816 0.043 Uiso 1 1 calc R U . . .
N5 N 0.6377(8) 0.1255(8) 0.9756(3) 0.053(2) Uani 1 1 d . . . . .
H5 H 0.6991 0.1447 0.9878 0.064 Uiso 1 1 calc R U . . .
H5A H 0.5719 0.1276 1.0062 0.064 Uiso 1 1 calc R U . . .
N6 N 0.7874(6) 0.1084(6) 0.5504(3) 0.0263(14) Uani 1 1 d . . . . .
H6 H 0.7474 0.1404 0.5193 0.032 Uiso 1 1 calc R U . . .
H6A H 0.8781 0.0839 0.5385 0.032 Uiso 1 1 calc R U . . .
N7 N 0.4071(8) 0.3643(8) 0.9677(3) 0.047(2) Uani 1 1 d . . . . .
H7 H 0.3340 0.3451 0.9754 0.057 Uiso 1 1 calc R U . . .
H7A H 0.4349 0.3623 1.0013 0.057 Uiso 1 1 calc R U . . .
N8 N 0.7313(6) 0.3736(5) 0.5471(2) 0.0233(14) Uani 1 1 d . . . . .
H8 H 0.8126 0.3787 0.5420 0.028 Uiso 1 1 calc R U . . .
H8A H 0.7196 0.3565 0.5129 0.028 Uiso 1 1 calc R U . . .
C1 C 0.8214(9) -0.0013(11) 0.9009(4) 0.054(3) Uani 1 1 d . . . . .
C2 C 0.7055(9) 0.0010(10) 0.9504(4) 0.045(2) Uani 1 1 d . . . . .
H2C H 0.7452 -0.0595 0.9807 0.055 Uiso 1 1 calc R U . . .
C3 C 0.5949(9) -0.0252(10) 0.9342(3) 0.041(2) Uani 1 1 d . . . . .
C4 C 0.9278(11) 0.0193(14) 0.9265(5) 0.081(4) Uani 1 1 d . U . . .
H4C H 0.9612 -0.0445 0.9554 0.121 Uiso 1 1 calc R U . . .
H4D H 0.8861 0.0989 0.9444 0.121 Uiso 1 1 calc R U . . .
H4E H 1.0033 0.0165 0.8958 0.121 Uiso 1 1 calc R U . . .
C5 C 0.8821(11) -0.1144(11) 0.8677(5) 0.070(4) Uani 1 1 d . . . . .
H5B H 0.9294 -0.1835 0.8920 0.105 Uiso 1 1 calc R U . . .
H5C H 0.9465 -0.1067 0.8341 0.105 Uiso 1 1 calc R U . . .
H5D H 0.8107 -0.1280 0.8552 0.105 Uiso 1 1 calc R U . . .
C6 C 0.7899(8) -0.0396(7) 0.6323(3) 0.0291(18) Uani 1 1 d . . . . .
C7 C 0.7602(8) -0.0011(7) 0.5713(3) 0.0253(17) Uani 1 1 d . . . . .
H7B H 0.6618 0.0212 0.5729 0.030 Uiso 1 1 calc R U . . .
C8 C 0.8406(8) -0.1069(7) 0.5292(3) 0.0268(17) Uani 1 1 d . . . . .
C9 C 0.9412(8) -0.0809(7) 0.6335(4) 0.034(2) Uani 1 1 d . . . . .
H9 H 0.9938 -0.1554 0.6117 0.052 Uiso 1 1 calc R U . . .
H9A H 0.9556 -0.0966 0.6734 0.052 Uiso 1 1 calc R U . . .
H9B H 0.9706 -0.0168 0.6163 0.052 Uiso 1 1 calc R U . . .
O9 O 1.464(2) -0.1389(14) 0.7717(7) 0.252(11) Uani 1 1 d . . . . .
C10 C 0.7443(10) -0.1376(8) 0.6585(4) 0.043(2) Uani 1 1 d . . . . .
H10 H 0.6510 -0.1150 0.6538 0.064 Uiso 1 1 calc R U . . .
H10A H 0.7490 -0.1473 0.6994 0.064 Uiso 1 1 calc R U . . .
H10B H 0.8033 -0.2145 0.6394 0.064 Uiso 1 1 calc R U . . .
O10 O 1.2498(9) -0.0920(8) 0.8470(4) 0.095(3) Uani 1 1 d . . . . .
C11 C 0.3152(9) 0.4906(9) 0.8847(3) 0.040(2) Uani 1 1 d . . . . .
C12 C 0.3710(9) 0.4870(9) 0.9403(3) 0.042(2) Uani 1 1 d . . . . .
H12 H 0.2971 0.5468 0.9675 0.050 Uiso 1 1 calc R U . . .
C13 C 0.4951(10) 0.5194(11) 0.9300(3) 0.041(2) Uani 1 1 d . . . . .
C14 C 0.1782(9) 0.4822(11) 0.9013(4) 0.055(3) Uani 1 1 d . . . . .
H14 H 0.1867 0.4112 0.9268 0.082 Uiso 1 1 calc R U . . .
H14A H 0.1486 0.4739 0.8666 0.082 Uiso 1 1 calc R U . . .
H14B H 0.1117 0.5560 0.9210 0.082 Uiso 1 1 calc R U . . .
C15 C 0.3023(9) 0.6040(9) 0.8479(4) 0.046(2) Uani 1 1 d . . . . .
H15 H 0.2339 0.6758 0.8687 0.069 Uiso 1 1 calc R U . . .
H15A H 0.2753 0.5988 0.8120 0.069 Uiso 1 1 calc R U . . .
H15B H 0.3895 0.6108 0.8393 0.069 Uiso 1 1 calc R U . . .
C16 C 0.6466(8) 0.5201(7) 0.6261(3) 0.0244(16) Uani 1 1 d . . . . .
C17 C 0.6199(7) 0.4905(7) 0.5689(3) 0.0236(16) Uani 1 1 d . . . . .
H17 H 0.6181 0.5572 0.5399 0.028 Uiso 1 1 calc R U . . .
C18 C 0.4879(8) 0.4746(7) 0.5766(3) 0.0261(17) Uani 1 1 d . . . . .
C19 C 0.7672(8) 0.5566(7) 0.6125(3) 0.0331(19) Uani 1 1 d . . . . .
H19 H 0.8454 0.4920 0.5910 0.050 Uiso 1 1 calc R U . . .
H19A H 0.7896 0.5686 0.6484 0.050 Uiso 1 1 calc R U . . .
H19B H 0.7434 0.6324 0.5895 0.050 Uiso 1 1 calc R U . . .
C20 C 0.5225(9) 0.6230(8) 0.6572(4) 0.037(2) Uani 1 1 d . . . . .
H20 H 0.4977 0.6957 0.6321 0.055 Uiso 1 1 calc R U . . .
H20A H 0.5433 0.6412 0.6922 0.055 Uiso 1 1 calc R U . . .
H20B H 0.4470 0.5980 0.6673 0.055 Uiso 1 1 calc R U . . .
O11 O 1.3778(7) 0.0394(7) 0.6924(3) 0.071(2) Uani 1 1 d . . . . .
O12 O 1.2405(7) 0.1165(6) 0.8939(3) 0.0570(18) Uani 1 1 d . . . . .
O13 O 1.2508(7) 0.2088(7) 0.7782(3) 0.063(2) Uani 1 1 d . . . . .
O14 O 1.0126(7) 0.2689(6) 0.9739(3) 0.0524(17) Uani 1 1 d . . . . .
O15 O 0.9959(7) 0.3293(7) 0.7499(3) 0.0605(19) Uani 1 1 d . . . . .
O16 O 0.9814(5) 0.3986(5) 0.4875(2) 0.0352(13) Uani 1 1 d . . . . .
O17 O 0.7869(9) 0.2048(8) 1.0414(4) 0.082(3) Uani 1 1 d . . . . .
O18 O 0.8497(6) 0.4702(6) 0.9131(3) 0.0481(16) Uani 1 1 d . . . . .
O19 O 0.9312(8) 0.5511(8) 0.7991(3) 0.070(2) Uani 1 1 d . . . . .
O20 O 0.6573(15) 0.6676(15) 0.8072(11) 0.246(11) Uani 1 1 d . . . . .
O21 O 0.8926(7) 0.6521(6) 0.3637(3) 0.0507(17) Uani 1 1 d . . . . .
O22 O 0.8710(6) 0.4295(6) 0.3872(3) 0.0446(15) Uani 1 1 d . . . . .
O23 O 0.8702(7) 0.3743(6) 0.2732(3) 0.0521(17) Uani 1 1 d . . . . .
O24 O 0.8490(7) 0.1444(7) 0.2562(3) 0.063(2) Uani 1 1 d . . . . .
O25 O 0.9773(6) -0.1738(5) 0.3903(2) 0.0414(15) Uani 1 1 d . . . . .
O26 O 0.7696(6) 0.0401(6) 0.3586(3) 0.0497(16) Uani 1 1 d . . . . .
O27 O 0.6519(6) 0.1958(5) 0.4495(2) 0.0378(14) Uani 1 1 d . . . . .
O28 O 0.4485(6) 0.1237(6) 0.4938(3) 0.0518(18) Uani 1 1 d . . . . .
O29 O 0.3779(6) 0.2072(6) 0.6030(3) 0.0488(16) Uani 1 1 d . . . . .
O30 O 0.8268(6) -0.3219(6) 0.9661(3) 0.0439(15) 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
Pt1 N1 2.043(6) . ?
Pt1 N2 2.054(6) . ?
Pt1 S2 2.3126(19) . ?
Pt1 S1 2.327(2) . ?
Pt1 Pt2 3.2307(9) . ?
Pt2 N3 2.052(6) . ?
Pt2 N4 2.059(6) . ?
Pt2 S3 2.318(2) . ?
Pt2 S4 2.3236(19) . ?
Cu1 N7 2.002(8) . ?
Cu1 N5 2.025(7) . ?
Cu1 S1 2.300(3) . ?
Cu1 S3 2.302(2) . ?
Cu2 N6 2.009(6) . ?
Cu2 N8 2.039(6) . ?
Cu2 S2 2.290(2) . ?
Cu2 S4 2.305(2) . ?
S1 C1 1.876(10) . ?
S2 C6 1.858(8) . ?
S3 C11 1.848(9) . ?
S4 C16 1.841(7) . ?
O1 C3 1.296(11) . ?
O2 C3 1.239(12) . ?
O3 C8 1.255(9) . ?
O4 C8 1.249(9) . ?
O5 C13 1.237(11) . ?
O6 C13 1.272(12) . ?
O7 C18 1.272(9) . ?
O8 C18 1.255(9) . ?
N1 H1 0.9100 . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N2 H2 0.9100 . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N3 H3 0.9100 . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N4 H4 0.9100 . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N5 C2 1.505(13) . ?
N5 H5 0.9100 . ?
N5 H5A 0.9100 . ?
N6 C7 1.490(9) . ?
N6 H6 0.9100 . ?
N6 H6A 0.9100 . ?
N7 C12 1.481(12) . ?
N7 H7 0.9100 . ?
N7 H7A 0.9100 . ?
N8 C17 1.493(9) . ?
N8 H8 0.9100 . ?
N8 H8A 0.9100 . ?
C1 C5 1.483(16) . ?
C1 C2 1.543(12) . ?
C1 C4 1.548(13) . ?
C2 C3 1.515(12) . ?
C2 H2C 1.0000 . ?
C4 H4C 0.9800 . ?
C4 H4D 0.9800 . ?
C4 H4E 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 H5D 0.9800 . ?
C6 C10 1.504(11) . ?
C6 C7 1.536(10) . ?
C6 C9 1.541(11) . ?
C7 C8 1.548(10) . ?
C7 H7B 1.0000 . ?
C9 H9 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C10 H10 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C11 C15 1.516(13) . ?
C11 C14 1.529(12) . ?
C11 C12 1.562(11) . ?
C12 C13 1.546(12) . ?
C12 H12 1.0000 . ?
C14 H14 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C15 H15 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C16 C20 1.527(11) . ?
C16 C19 1.537(10) . ?
C16 C17 1.562(10) . ?
C17 C18 1.523(10) . ?
C17 H17 1.0000 . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 H20 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 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
N1 Pt1 N2 175.8(3) . . ?
N1 Pt1 S2 86.8(2) . . ?
N2 Pt1 S2 93.25(18) . . ?
N1 Pt1 S1 93.9(2) . . ?
N2 Pt1 S1 86.85(18) . . ?
S2 Pt1 S1 168.60(8) . . ?
N1 Pt1 Pt2 89.9(2) . . ?
N2 Pt1 Pt2 94.26(19) . . ?
S2 Pt1 Pt2 83.92(5) . . ?
S1 Pt1 Pt2 84.71(6) . . ?
N3 Pt2 N4 174.5(3) . . ?
N3 Pt2 S3 93.58(19) . . ?
N4 Pt2 S3 86.93(18) . . ?
N3 Pt2 S4 85.48(19) . . ?
N4 Pt2 S4 95.14(18) . . ?
S3 Pt2 S4 168.29(8) . . ?
N3 Pt2 Pt1 89.0(2) . . ?
N4 Pt2 Pt1 96.59(19) . . ?
S3 Pt2 Pt1 84.31(6) . . ?
S4 Pt2 Pt1 84.00(5) . . ?
N7 Cu1 N5 95.0(3) . . ?
N7 Cu1 S1 166.2(2) . . ?
N5 Cu1 S1 85.6(3) . . ?
N7 Cu1 S3 84.8(2) . . ?
N5 Cu1 S3 165.1(2) . . ?
S1 Cu1 S3 98.14(8) . . ?
N6 Cu2 N8 95.6(2) . . ?
N6 Cu2 S2 84.74(18) . . ?
N8 Cu2 S2 171.80(18) . . ?
N6 Cu2 S4 168.46(19) . . ?
N8 Cu2 S4 84.37(18) . . ?
S2 Cu2 S4 96.89(7) . . ?
C1 S1 Cu1 98.7(3) . . ?
C1 S1 Pt1 115.4(4) . . ?
Cu1 S1 Pt1 115.61(9) . . ?
C6 S2 Cu2 99.7(2) . . ?
C6 S2 Pt1 114.6(3) . . ?
Cu2 S2 Pt1 117.63(9) . . ?
C11 S3 Cu1 99.4(3) . . ?
C11 S3 Pt2 114.6(3) . . ?
Cu1 S3 Pt2 116.34(10) . . ?
C16 S4 Cu2 99.4(2) . . ?
C16 S4 Pt2 115.3(3) . . ?
Cu2 S4 Pt2 115.86(8) . . ?
Pt1 N1 H1 109.5 . . ?
Pt1 N1 H1A 109.5 . . ?
H1 N1 H1A 109.5 . . ?
Pt1 N1 H1B 109.5 . . ?
H1 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
Pt1 N2 H2 109.5 . . ?
Pt1 N2 H2A 109.5 . . ?
H2 N2 H2A 109.5 . . ?
Pt1 N2 H2B 109.5 . . ?
H2 N2 H2B 109.5 . . ?
H2A N2 H2B 109.5 . . ?
Pt2 N3 H3 109.5 . . ?
Pt2 N3 H3A 109.5 . . ?
H3 N3 H3A 109.5 . . ?
Pt2 N3 H3B 109.5 . . ?
H3 N3 H3B 109.5 . . ?
H3A N3 H3B 109.5 . . ?
Pt2 N4 H4 109.5 . . ?
Pt2 N4 H4A 109.5 . . ?
H4 N4 H4A 109.5 . . ?
Pt2 N4 H4B 109.5 . . ?
H4 N4 H4B 109.5 . . ?
H4A N4 H4B 109.5 . . ?
C2 N5 Cu1 107.4(5) . . ?
C2 N5 H5 110.2 . . ?
Cu1 N5 H5 110.2 . . ?
C2 N5 H5A 110.2 . . ?
Cu1 N5 H5A 110.2 . . ?
H5 N5 H5A 108.5 . . ?
C7 N6 Cu2 116.5(4) . . ?
C7 N6 H6 108.2 . . ?
Cu2 N6 H6 108.2 . . ?
C7 N6 H6A 108.2 . . ?
Cu2 N6 H6A 108.2 . . ?
H6 N6 H6A 107.3 . . ?
C12 N7 Cu1 108.0(5) . . ?
C12 N7 H7 110.1 . . ?
Cu1 N7 H7 110.1 . . ?
C12 N7 H7A 110.1 . . ?
Cu1 N7 H7A 110.1 . . ?
H7 N7 H7A 108.4 . . ?
C17 N8 Cu2 107.1(4) . . ?
C17 N8 H8 110.3 . . ?
Cu2 N8 H8 110.3 . . ?
C17 N8 H8A 110.3 . . ?
Cu2 N8 H8A 110.3 . . ?
H8 N8 H8A 108.6 . . ?
C5 C1 C2 112.9(9) . . ?
C5 C1 C4 111.9(10) . . ?
C2 C1 C4 108.2(8) . . ?
C5 C1 S1 111.1(7) . . ?
C2 C1 S1 108.4(7) . . ?
C4 C1 S1 103.9(7) . . ?
N5 C2 C3 106.3(8) . . ?
N5 C2 C1 108.8(8) . . ?
C3 C2 C1 116.0(8) . . ?
N5 C2 H2C 108.5 . . ?
C3 C2 H2C 108.5 . . ?
C1 C2 H2C 108.5 . . ?
O2 C3 O1 124.5(8) . . ?
O2 C3 C2 118.1(9) . . ?
O1 C3 C2 117.4(9) . . ?
C1 C4 H4C 109.5 . . ?
C1 C4 H4D 109.5 . . ?
H4C C4 H4D 109.5 . . ?
C1 C4 H4E 109.5 . . ?
H4C C4 H4E 109.5 . . ?
H4D C4 H4E 109.5 . . ?
C1 C5 H5B 109.5 . . ?
C1 C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 C5 H5D 109.5 . . ?
H5B C5 H5D 109.5 . . ?
H5C C5 H5D 109.5 . . ?
C10 C6 C7 112.9(7) . . ?
C10 C6 C9 109.7(7) . . ?
C7 C6 C9 111.3(7) . . ?
C10 C6 S2 108.7(6) . . ?
C7 C6 S2 102.6(5) . . ?
C9 C6 S2 111.3(5) . . ?
N6 C7 C6 111.1(6) . . ?
N6 C7 C8 111.1(6) . . ?
C6 C7 C8 111.5(6) . . ?
N6 C7 H7B 107.7 . . ?
C6 C7 H7B 107.7 . . ?
C8 C7 H7B 107.7 . . ?
O4 C8 O3 125.7(7) . . ?
O4 C8 C7 117.3(7) . . ?
O3 C8 C7 117.0(7) . . ?
C6 C9 H9 109.5 . . ?
C6 C9 H9A 109.5 . . ?
H9 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C10 H10 109.5 . . ?
C6 C10 H10A 109.5 . . ?
H10 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C15 C11 C14 110.2(8) . . ?
C15 C11 C12 112.3(8) . . ?
C14 C11 C12 109.4(7) . . ?
C15 C11 S3 110.9(6) . . ?
C14 C11 S3 106.1(7) . . ?
C12 C11 S3 107.7(6) . . ?
N7 C12 C13 109.0(7) . . ?
N7 C12 C11 109.2(7) . . ?
C13 C12 C11 114.1(7) . . ?
N7 C12 H12 108.1 . . ?
C13 C12 H12 108.1 . . ?
C11 C12 H12 108.1 . . ?
O5 C13 O6 125.4(9) . . ?
O5 C13 C12 118.2(10) . . ?
O6 C13 C12 116.4(9) . . ?
C11 C14 H14 109.5 . . ?
C11 C14 H14A 109.5 . . ?
H14 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C15 H15 109.5 . . ?
C11 C15 H15A 109.5 . . ?
H15 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C20 C16 C19 109.7(6) . . ?
C20 C16 C17 111.4(6) . . ?
C19 C16 C17 108.9(6) . . ?
C20 C16 S4 111.3(5) . . ?
C19 C16 S4 106.3(5) . . ?
C17 C16 S4 109.2(5) . . ?
N8 C17 C18 107.1(6) . . ?
N8 C17 C16 108.9(6) . . ?
C18 C17 C16 112.8(6) . . ?
N8 C17 H17 109.3 . . ?
C18 C17 H17 109.3 . . ?
C16 C17 H17 109.3 . . ?
O8 C18 O7 124.3(7) . . ?
O8 C18 C17 118.7(7) . . ?
O7 C18 C17 117.0(7) . . ?
C16 C19 H19 109.5 . . ?
C16 C19 H19A 109.5 . . ?
H19 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C20 H20 109.5 . . ?
C16 C20 H20A 109.5 . . ?
H20 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20 C20 H20B 109.5 . . ?
H20A C20 H20B 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
Cu1 S1 C1 C5 138.8(7) . . . . ?
Pt1 S1 C1 C5 15.0(8) . . . . ?
Cu1 S1 C1 C2 14.1(7) . . . . ?
Pt1 S1 C1 C2 -109.7(7) . . . . ?
Cu1 S1 C1 C4 -100.7(7) . . . . ?
Pt1 S1 C1 C4 135.5(7) . . . . ?
Cu1 N5 C2 C3 -62.6(7) . . . . ?
Cu1 N5 C2 C1 63.0(7) . . . . ?
C5 C1 C2 N5 -171.8(8) . . . . ?
C4 C1 C2 N5 63.7(10) . . . . ?
S1 C1 C2 N5 -48.2(8) . . . . ?
C5 C1 C2 C3 -52.0(12) . . . . ?
C4 C1 C2 C3 -176.5(10) . . . . ?
S1 C1 C2 C3 71.5(11) . . . . ?
N5 C2 C3 O2 -154.1(7) . . . . ?
C1 C2 C3 O2 84.8(11) . . . . ?
N5 C2 C3 O1 27.8(9) . . . . ?
C1 C2 C3 O1 -93.3(11) . . . . ?
Cu2 S2 C6 C10 -161.3(5) . . . . ?
Pt1 S2 C6 C10 72.1(6) . . . . ?
Cu2 S2 C6 C7 -41.5(5) . . . . ?
Pt1 S2 C6 C7 -168.1(4) . . . . ?
Cu2 S2 C6 C9 77.7(5) . . . . ?
Pt1 S2 C6 C9 -48.9(6) . . . . ?
Cu2 N6 C7 C6 -42.5(7) . . . . ?
Cu2 N6 C7 C8 -167.2(5) . . . . ?
C10 C6 C7 N6 171.3(7) . . . . ?
C9 C6 C7 N6 -64.7(8) . . . . ?
S2 C6 C7 N6 54.5(7) . . . . ?
C10 C6 C7 C8 -64.2(9) . . . . ?
C9 C6 C7 C8 59.8(8) . . . . ?
S2 C6 C7 C8 179.0(5) . . . . ?
N6 C7 C8 O4 -156.9(6) . . . . ?
C6 C7 C8 O4 78.6(8) . . . . ?
N6 C7 C8 O3 23.2(9) . . . . ?
C6 C7 C8 O3 -101.3(8) . . . . ?
Cu1 S3 C11 C15 134.9(6) . . . . ?
Pt2 S3 C11 C15 10.1(7) . . . . ?
Cu1 S3 C11 C14 -105.5(6) . . . . ?
Pt2 S3 C11 C14 129.8(5) . . . . ?
Cu1 S3 C11 C12 11.6(6) . . . . ?
Pt2 S3 C11 C12 -113.2(5) . . . . ?
Cu1 N7 C12 C13 -62.1(7) . . . . ?
Cu1 N7 C12 C11 63.2(7) . . . . ?
C15 C11 C12 N7 -168.5(7) . . . . ?
C14 C11 C12 N7 68.8(10) . . . . ?
S3 C11 C12 N7 -46.2(8) . . . . ?
C15 C11 C12 C13 -46.2(11) . . . . ?
C14 C11 C12 C13 -168.9(9) . . . . ?
S3 C11 C12 C13 76.1(9) . . . . ?
N7 C12 C13 O5 29.2(10) . . . . ?
C11 C12 C13 O5 -93.2(10) . . . . ?
N7 C12 C13 O6 -149.4(7) . . . . ?
C11 C12 C13 O6 88.2(10) . . . . ?
Cu2 S4 C16 C20 132.4(5) . . . . ?
Pt2 S4 C16 C20 7.8(6) . . . . ?
Cu2 S4 C16 C19 -108.2(5) . . . . ?
Pt2 S4 C16 C19 127.2(5) . . . . ?
Cu2 S4 C16 C17 9.1(5) . . . . ?
Pt2 S4 C16 C17 -115.5(4) . . . . ?
Cu2 N8 C17 C18 -59.7(6) . . . . ?
Cu2 N8 C17 C16 62.6(6) . . . . ?
C20 C16 C17 N8 -167.8(6) . . . . ?
C19 C16 C17 N8 71.1(7) . . . . ?
S4 C16 C17 N8 -44.5(7) . . . . ?
C20 C16 C17 C18 -49.0(8) . . . . ?
C19 C16 C17 C18 -170.1(6) . . . . ?
S4 C16 C17 C18 74.3(7) . . . . ?
N8 C17 C18 O8 -147.4(6) . . . . ?
C16 C17 C18 O8 92.7(8) . . . . ?
N8 C17 C18 O7 34.4(8) . . . . ?
C16 C17 C18 O7 -85.5(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
N1 H1 O9 0.91 2.52 3.25(2) 137.8 1_455
N1 H1A O13 0.91 2.44 3.211(10) 142.2 1_455
N1 H1B O1 0.91 2.11 2.972(9) 157.1 .
N2 H2 O24 0.91 2.28 3.180(10) 170.4 2_756
N2 H2A O15 0.91 2.38 3.206(10) 150.2 .
N2 H2B O25 0.91 2.22 3.056(8) 152.5 2_756
N3 H3 O20 0.91 2.10 2.974(19) 161.9 .
N3 H3A O15 0.91 2.29 3.123(10) 152.5 .
N3 H3B S1 0.91 2.88 3.346(8) 113.2 .
N3 H3B O5 0.91 2.14 2.979(9) 152.9 .
N4 H4 O23 0.91 2.34 3.243(9) 172.6 2_666
N4 H4A O13 0.91 2.33 3.202(10) 159.3 1_455
N4 H4B O7 0.91 2.09 2.989(8) 169.7 .
N5 H5 O17 0.91 2.10 2.973(11) 159.8 .
N5 H5A O2 0.91 2.23 3.129(10) 168.4 2_657
N6 H6 O27 0.91 2.06 2.962(8) 173.5 .
N6 H6A O3 0.91 2.07 2.928(8) 156.0 2_756
N7 H7 O30 0.91 2.12 2.948(9) 151.0 2_657
N7 H7A O6 0.91 2.11 3.004(9) 168.2 2_667
N8 H8 O16 0.91 2.13 2.957(8) 150.8 .
N8 H8A O8 0.91 2.36 3.154(8) 146.2 2_666
C4 H4D O17 0.98 2.57 3.408(17) 143.4 .
C4 H4E O10 0.98 2.56 3.440(15) 150.0 .
C5 H5D O2 0.98 2.57 3.145(12) 117.5 .
C9 H9B O25 0.98 2.58 3.517(10) 159.0 2_756
N1 H1 O9 0.91 2.52 3.25(2) 137.8 1_455
N1 H1A O13 0.91 2.44 3.211(10) 142.2 1_455

_refine_diff_density_max         1.989
_refine_diff_density_min         -1.129
_refine_diff_density_rms         0.161

####################################################################### 
# 
# 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_4ClO4
_database_code_depnum_ccdc_archive 'CCDC 1849567'
_audit_update_record             
;
2018-08-23 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT043_4ClO4               
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      28.20 Check
RESPONSE: The contributions of the H atoms of water molecules, which were unable to locate, was included in the formula. Therefore, the calculated and reported molecular weight differ.
;
_vrf_PLAT242_4ClO4               
;
PROBLEM: Low    'MainMol' Ueq as Compared to Neighbors of        Cu1 Check
RESPONSE: This alert appeared due to the relatively large Ueq of one neighboring atom (O6). O6 is oxygen atom of a coordinated water molecule. Due to the flexible axial Cu-O coordination bonds, its Ueq was relatively large, compared with Cu1.
;
_vrf_PLAT306_4ClO4               
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......         O5 Check
RESPONSE: The H atoms of water molecules were unable to locate. These alerts are due to the lack of H atom of water molecules.
;
_vrf_PLAT430_4ClO4               
;
PROBLEM: Short Inter D...A Contact  O6       ..O7               2.73 Ang.
RESPONSE: The distance are all within the regular hydrogen bond distances. These alerts appeared due to the absence of H atom of water molecules.
;
_vrf_PLAT987_4ClO4               
;
PROBLEM: The Flack x is &gt;&gt; 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: The Flack value was 0.017(5), which is not so deviated from zero. The absolute structure of molecule Is further supported by the absolute structure of D-penicillamine ligand (S isomer).
;
# Added during the CSD deposition process: Thursday 23 August 2018 04:16 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C10 H24 Cu N4 O6 Pt S2 Zn0.50), 2(Cl O4), 12(H O0.50)'
_chemical_formula_sum            'C20 H76 Cl2 Cu2 N8 O30 Pt2 S4 Zn'
_chemical_formula_weight         1690.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           180
_space_group_name_H-M_alt        'P 62 2 2'
_space_group_name_Hall           'P 62 2c (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'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'
'x-y, x, z+1/3'
'y, -x+y, z+2/3'
'x-y, -y, -z'
'-x, -x+y, -z+1/3'
'y, x, -z+2/3'
'-y, -x, -z+2/3'
'x, x-y, -z+1/3'
'-x+y, y, -z'

_cell_length_a                   10.9616(5)
_cell_length_b                   10.9616(5)
_cell_length_c                   43.442(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     4520.5(5)
_cell_formula_units_Z            3
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    27291
_cell_measurement_theta_min      3.18
_cell_measurement_theta_max      27.50

_exptl_crystal_description       needle
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_F_000             2502
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    6.020
_shelx_estimated_absorpt_T_min   0.584
_shelx_estimated_absorpt_T_max   0.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.064
_exptl_absorpt_correction_T_max  0.092
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku FR-E SuperBright'
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            42041
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -56
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         3.179
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             3460
_reflns_number_gt                3140
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.597
_reflns_Friedel_fraction_max     0.994
_reflns_Friedel_fraction_full    0.992

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

_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_molecular_graphics    Mercury
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0759P)²+4.8084P] 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 1017 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.017(5)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         3460
_refine_ls_number_parameters     151
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1229
_refine_ls_wR_factor_gt          0.1197
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_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
Pt1 Pt 0.64605(5) 0.0000 0.0000 0.0535(2) Uani 1 2 d S T P . .
Zn1 Zn 1.0000 0.0000 0.1667 0.0639(6) Uani 1 4 d S T P . .
Cu1 Cu 0.5000 0.0000 0.08297(3) 0.0708(6) Uani 1 2 d S T P . .
S1 S 0.6770(3) 0.0997(4) 0.04846(5) 0.0610(7) Uani 1 1 d . . . . .
O1 O 0.8647(9) 0.0192(12) 0.14052(15) 0.082(3) Uani 1 1 d . . . . .
O2 O 1.0255(10) 0.2306(11) 0.1268(2) 0.100(3) Uani 1 1 d . . . . .
N1 N 0.6545(11) 0.0491(15) 0.11445(19) 0.084(4) Uani 1 1 d . . . . .
H1 H 0.6402 0.0943 0.1304 0.101 Uiso 1 1 calc R U . . .
H2 H 0.6447 -0.0328 0.1220 0.101 Uiso 1 1 calc R U . . .
C1 C 0.8185(12) 0.0944(15) 0.0705(2) 0.065(3) Uani 1 1 d . . . . .
C2 C 0.8002(14) 0.1364(15) 0.1040(2) 0.073(3) Uani 1 1 d . . . . .
H3 H 0.8196 0.2358 0.1030 0.088 Uiso 1 1 calc R U . . .
C3 C 0.9103(12) 0.1354(13) 0.1252(2) 0.070(3) Uani 1 1 d . . . . .
C4 C 0.8010(16) -0.0510(17) 0.0699(3) 0.084(4) Uani 1 1 d . . . . .
H4 H 0.8139 -0.0745 0.0488 0.125 Uiso 1 1 calc R U . . .
H5 H 0.7064 -0.1198 0.0771 0.125 Uiso 1 1 calc R U . . .
H6 H 0.8715 -0.0534 0.0834 0.125 Uiso 1 1 calc R U . . .
C5 C 0.9586(13) 0.2069(18) 0.0578(3) 0.088(5) Uani 1 1 d . . . . .
H7 H 1.0353 0.2037 0.0686 0.132 Uiso 1 1 calc R U . . .
H8 H 0.9676 0.2997 0.0606 0.132 Uiso 1 1 calc R U . . .
H9 H 0.9638 0.1902 0.0358 0.132 Uiso 1 1 calc R U . . .
N2 N 0.5516(10) -0.2022(10) 0.01684(19) 0.064(2) Uani 1 1 d . . . . .
H10 H 0.6185 -0.2264 0.0206 0.095 Uiso 1 1 calc R U . . .
H11 H 0.4891 -0.2624 0.0027 0.095 Uiso 1 1 calc R U . . .
H12 H 0.5055 -0.2073 0.0346 0.095 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7808(2) 0.2192(2) 0.3333 0.0707(9) Uani 1 2 d S T P . .
O3 O 0.7414(11) 0.0903(11) 0.3167(2) 0.090(3) Uani 1 1 d . . . . .
O4 O 0.7987(15) 0.3277(12) 0.3124(2) 0.105(4) Uani 1 1 d . . . . .
O5 O 0.326(2) 0.321(2) 0.1300(7) 0.210(10) Uiso 1 1 d . . . . .
O6 O 0.544(3) 0.274(3) 0.0859(4) 0.248(14) Uani 1 1 d . . . . .
O7 O 0.818(4) 0.486(5) 0.0897(11) 0.359(19) Uiso 1 1 d . . . . .
O8A O 0.700(4) 0.293(3) 0.1611(8) 0.136(9) Uiso 0.5 1 d . . P A -1


_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
Pt1 N2 2.055(9) . ?
Pt1 N2 2.055(9) 7 ?
Pt1 S1 2.317(3) . ?
Pt1 S1 2.318(3) 7 ?
Pt1 Pt1 3.2018(10) 2_655 ?
Zn1 O1 1.961(8) 2_755 ?
Zn1 O1 1.961(8) . ?
Zn1 O1 1.961(8) 8_765 ?
Zn1 O1 1.961(8) 11_545 ?
Cu1 N1 2.029(9) . ?
Cu1 N1 2.029(9) 2_655 ?
Cu1 S1 2.255(3) 2_655 ?
Cu1 S1 2.255(3) . ?
S1 C1 1.847(11) . ?
O1 C3 1.295(15) . ?
O2 C3 1.171(14) . ?
N1 C2 1.464(16) . ?
C1 C4 1.51(2) . ?
C1 C5 1.514(18) . ?
C1 C2 1.569(15) . ?
C2 C3 1.525(16) . ?
Cl1 O4 1.429(10) . ?
Cl1 O4 1.429(10) 10_665 ?
Cl1 O3 1.448(10) 10_665 ?
Cl1 O3 1.448(10) . ?

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
N2 Pt1 N2 175.9(5) . 7 ?
N2 Pt1 S1 93.5(3) . . ?
N2 Pt1 S1 86.9(3) 7 . ?
N2 Pt1 S1 86.9(3) . 7 ?
N2 Pt1 S1 93.5(3) 7 7 ?
S1 Pt1 S1 169.75(13) . 7 ?
N2 Pt1 Pt1 92.0(3) . 2_655 ?
N2 Pt1 Pt1 92.0(3) 7 2_655 ?
S1 Pt1 Pt1 84.87(6) . 2_655 ?
S1 Pt1 Pt1 84.87(6) 7 2_655 ?
O1 Zn1 O1 109.2(5) 2_755 . ?
O1 Zn1 O1 98.2(5) 2_755 8_765 ?
O1 Zn1 O1 121.9(6) . 8_765 ?
O1 Zn1 O1 121.9(6) 2_755 11_545 ?
O1 Zn1 O1 98.2(5) . 11_545 ?
O1 Zn1 O1 109.2(5) 8_765 11_545 ?
N1 Cu1 N1 95.2(5) . 2_655 ?
N1 Cu1 S1 168.1(4) . 2_655 ?
N1 Cu1 S1 85.3(3) 2_655 2_655 ?
N1 Cu1 S1 85.3(3) . . ?
N1 Cu1 S1 168.1(4) 2_655 . ?
S1 Cu1 S1 96.68(14) 2_655 . ?
C1 S1 Cu1 100.0(3) . . ?
C1 S1 Pt1 112.5(4) . . ?
Cu1 S1 Pt1 119.19(13) . . ?
C3 O1 Zn1 117.5(7) . . ?
C2 N1 Cu1 117.1(6) . . ?
C4 C1 C5 113.3(12) . . ?
C4 C1 C2 111.0(10) . . ?
C5 C1 C2 109.0(11) . . ?
C4 C1 S1 111.1(9) . . ?
C5 C1 S1 108.1(8) . . ?
C2 C1 S1 103.8(8) . . ?
N1 C2 C3 114.5(10) . . ?
N1 C2 C1 110.7(10) . . ?
C3 C2 C1 110.0(11) . . ?
O2 C3 O1 124.1(12) . . ?
O2 C3 C2 122.2(12) . . ?
O1 C3 C2 113.6(10) . . ?
O4 Cl1 O4 106.0(11) . 10_665 ?
O4 Cl1 O3 111.2(7) . 10_665 ?
O4 Cl1 O3 110.2(6) 10_665 10_665 ?
O4 Cl1 O3 110.2(6) . . ?
O4 Cl1 O3 111.2(7) 10_665 . ?
O3 Cl1 O3 108.1(9) 10_665 . ?

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
Cu1 S1 C1 C4 78.2(8) . . . . ?
Pt1 S1 C1 C4 -49.3(9) . . . . ?
Cu1 S1 C1 C5 -156.8(9) . . . . ?
Pt1 S1 C1 C5 75.7(10) . . . . ?
Cu1 S1 C1 C2 -41.1(9) . . . . ?
Pt1 S1 C1 C2 -168.6(7) . . . . ?
Cu1 N1 C2 C3 -163.5(9) . . . . ?
Cu1 N1 C2 C1 -38.4(15) . . . . ?
C4 C1 C2 N1 -67.5(14) . . . . ?
C5 C1 C2 N1 167.0(12) . . . . ?
S1 C1 C2 N1 51.9(13) . . . . ?
C4 C1 C2 C3 60.0(14) . . . . ?
C5 C1 C2 C3 -65.5(14) . . . . ?
S1 C1 C2 C3 179.5(9) . . . . ?
Zn1 O1 C3 O2 -2.3(18) . . . . ?
Zn1 O1 C3 C2 176.1(8) . . . . ?
N1 C2 C3 O2 -152.3(14) . . . . ?
C1 C2 C3 O2 82.3(17) . . . . ?
N1 C2 C3 O1 29.3(17) . . . . ?
C1 C2 C3 O1 -96.2(13) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O8A 0.91 2.35 3.19(3) 153.3 .
C4 H5 O6 0.98 2.43 3.40(3) 168.2 2_655
C5 H7 O2 0.98 2.55 3.067(15) 112.8 .
N2 H10 O3 0.91 2.34 3.203(14) 159.1 11_545
N2 H11 O4 0.91 2.32 3.188(14) 160.2 6_554
N2 H12 S1 0.91 2.85 3.499(10) 129.6 2_655
N2 H12 O6 0.91 2.32 3.15(2) 150.4 2_655
C4 H5 O6 0.98 2.43 3.40(3) 168.2 2_655

_refine_diff_density_max         1.356
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.167

####################################################################### 
# 
# 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_3Cl
_database_code_depnum_ccdc_archive 'CCDC 1849566'
_audit_update_record             
;
2018-08-23 deposited with the CCDC.
2018-09-03 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT043_3Cl                 
;
PROBLEM: Calculated and Reported Mol. Weight Differ by ..      34.24 Check
RESPONSE: The contributions of the H atoms of water molecules, which were unable to locate, was included in the formula. Therefore, the calculated and reported molecular weight differ.
;
_vrf_PLAT213_3Cl                 
;
PROBLEM: Atom C19             has ADP max/min Ratio .....        4.8 oblate
RESPONSE: Affected by the large satellite Q-peak from heavy atoms, the atom has large ADP max/min Ratio.
;
_vrf_PLAT306_3Cl                 
;
PROBLEM: Isolated Oxygen Atom (H-atoms Missing ?) .......        O10 Check
RESPONSE: The H atoms of water molecules were unable to locate. These alerts are due to the lack of H atom of water molecules.
;
_vrf_PLAT342_3Cl                 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............       0.04 Ang.
RESPONSE: The crystal was fragile, so the diffraction quality was not perfect. Therefore the bond precision on C-C bond value is a little larger than standard.
;
_vrf_PLAT430_3Cl                 
;
PROBLEM: Short Inter D...A Contact  O1       ..O23              2.75 Ang.
RESPONSE: The distance are all within the regular hydrogen bond distances. These alerts appeared due to the absence of H atom of water molecules.
;
_vrf_PLAT910_3Cl                 
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         14 Note
RESPONSE: We cut low angle diffraction data because they were hidden by beam stopper.
;
_vrf_PLAT971_3Cl                 
;
PROBLEM: Check Calcd Resid. Dens.  1.12A   From Pt2             2.65 eA-3
RESPONSE: The crystal was fragile, so the diffraction quality was not perfect. The alerts indicate the presence of large Q-peaks around Pt atoms, but these peaks do not means atoms, but satellite peak.
;
# Added during the CSD deposition process: Thursday 23 August 2018 04:16 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H48 Cl Cu2 N8 O8 Pt2 S4 Zn, Cl, 17(H2 O)'
_chemical_formula_sum            'C20 H82 Cl2 Cu2 N8 O25 Pt2 S4 Zn'
_chemical_formula_weight         1616.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
N N 0.0061 0.0033 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   12.0122(2)
_cell_length_b                   18.6783(3)
_cell_length_c                   24.6928(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5540.26(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    12020
_cell_measurement_theta_min      3.00
_cell_measurement_theta_max      27.48

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_F_000             3200
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    6.538
_shelx_estimated_absorpt_T_min   0.561
_shelx_estimated_absorpt_T_max   0.780
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.112
_exptl_absorpt_correction_T_max  0.596
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Rigaku FR-E SuperBright'
_diffrn_measurement_device_type  'Rigaku R-AXIS VII'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            23501
_diffrn_reflns_av_unetI/netI     0.1785
_diffrn_reflns_av_R_equivalents  0.0995
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         3.000
_diffrn_reflns_theta_max         27.483
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.952
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.933
_diffrn_reflns_point_group_measured_fraction_full 0.963
_reflns_number_total             11861
_reflns_number_gt                7200
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.783
_reflns_Friedel_fraction_max     0.910
_reflns_Friedel_fraction_full    0.946

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

_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_molecular_graphics    Mercury
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0616P)²+47.2625P] 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 1870 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.019(7)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         11861
_refine_ls_number_parameters     589
_refine_ls_number_restraints     234
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.0864
_refine_ls_wR_factor_ref         0.2001
_refine_ls_wR_factor_gt          0.1662
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.020
_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
Pt1 Pt 0.60045(7) 0.08358(6) 0.24524(5) 0.0379(3) Uani 1 1 d . . . . .
Pt2 Pt 0.84962(7) 0.14338(6) 0.25071(5) 0.0394(3) Uani 1 1 d . . . . .
Cu1 Cu 0.7426(3) 0.0754(2) 0.38850(14) 0.0416(9) Uani 1 1 d . . . . .
Cu2 Cu 0.7124(2) 0.14853(18) 0.10684(13) 0.0336(8) Uani 1 1 d . U . . .
S1 S 0.6580(6) 0.0151(4) 0.3185(3) 0.0412(18) Uani 1 1 d . . . . .
S2 S 0.5816(5) 0.1612(4) 0.1727(3) 0.0365(17) Uani 1 1 d . . . . .
S3 S 0.8035(5) 0.1726(4) 0.3395(3) 0.0389(18) Uani 1 1 d . . . . .
S4 S 0.8502(5) 0.1059(4) 0.1619(3) 0.0371(17) Uani 1 1 d . . . . .
O1 O 0.5671(14) 0.1242(10) 0.4121(8) 0.045(5) Uani 1 1 d . U . . .
O2 O 0.4072(15) 0.0746(10) 0.4442(9) 0.055(6) Uani 1 1 d . U . . .
O3 O 0.3907(16) 0.1278(12) 0.0056(8) 0.061(6) Uani 1 1 d . U . . .
O4 O 0.2959(15) 0.2133(10) 0.0432(8) 0.052(5) Uani 1 1 d . U . . .
O5 O 0.9356(14) 0.0251(9) 0.3870(7) 0.039(4) Uani 1 1 d . U . . .
O6 O 1.1002(16) 0.0739(12) 0.3994(9) 0.066(6) Uani 1 1 d . U . . .
O7 O 1.0317(14) 0.2030(11) 0.0060(8) 0.051(5) Uani 1 1 d . U . . .
O8 O 1.1116(13) 0.0964(9) 0.0153(7) 0.038(4) Uani 1 1 d . U . . .
N1 N 0.6697(18) -0.0020(11) 0.4341(9) 0.034(5) Uani 1 1 d . U . . .
H1 H 0.7040 -0.0448 0.4288 0.040 Uiso 1 1 calc R U . . .
H1A H 0.6739 0.0093 0.4699 0.040 Uiso 1 1 calc R U . . .
N2 N 0.5850(16) 0.1652(12) 0.0550(8) 0.035(5) Uani 1 1 d . U . . .
H2 H 0.6065 0.1988 0.0305 0.042 Uiso 1 1 calc R U . . .
H2A H 0.5724 0.1238 0.0365 0.042 Uiso 1 1 calc R U . . .
N3 N 0.8348(16) 0.1185(12) 0.4487(9) 0.041(6) Uani 1 1 d . U . . .
H3 H 0.7987 0.1567 0.4634 0.049 Uiso 1 1 calc R U . . .
H3A H 0.8463 0.0855 0.4752 0.049 Uiso 1 1 calc R U . . .
N4 N 0.8313(17) 0.1578(13) 0.0509(8) 0.042(6) Uani 1 1 d . U . . .
H4 H 0.8041 0.1417 0.0188 0.051 Uiso 1 1 calc R U . . .
H4A H 0.8478 0.2051 0.0468 0.051 Uiso 1 1 calc R U . . .
N5 N 0.9107(19) 0.0453(11) 0.2714(9) 0.045(6) Uani 1 1 d . U . . .
H5C H 0.9812 0.0406 0.2584 0.068 Uiso 1 1 calc R U . . .
H5D H 0.8667 0.0106 0.2569 0.068 Uiso 1 1 calc R U . . .
H5E H 0.9114 0.0409 0.3081 0.068 Uiso 1 1 calc R U . . .
N6 N 0.8008(18) 0.2426(11) 0.2315(8) 0.042(6) Uani 1 1 d . U . . .
H6 H 0.8568 0.2739 0.2387 0.063 Uiso 1 1 calc R U . . .
H6A H 0.7398 0.2544 0.2514 0.063 Uiso 1 1 calc R U . . .
H6B H 0.7836 0.2444 0.1956 0.063 Uiso 1 1 calc R U . . .
N7 N 0.5481(17) 0.1678(11) 0.2942(8) 0.035(5) Uani 1 1 d . U . . .
H7A H 0.4724 0.1675 0.2965 0.052 Uiso 1 1 calc R U . . .
H7B H 0.5711 0.2100 0.2797 0.052 Uiso 1 1 calc R U . . .
H7C H 0.5777 0.1626 0.3279 0.052 Uiso 1 1 calc R U . . .
N8 N 0.6429(18) -0.0056(10) 0.1978(8) 0.030(5) Uani 1 1 d . U . . .
H8 H 0.6742 -0.0398 0.2191 0.045 Uiso 1 1 calc R U . . .
H8A H 0.6923 0.0079 0.1718 0.045 Uiso 1 1 calc R U . . .
H8B H 0.5805 -0.0235 0.1818 0.045 Uiso 1 1 calc R U . . .
C1 C 0.547(2) -0.0293(14) 0.3568(12) 0.039(5) Uani 1 1 d . U . . .
C2 C 0.553(2) -0.0056(14) 0.4166(12) 0.040(5) Uani 1 1 d . U . . .
H2B H 0.5103 -0.0395 0.4401 0.048 Uiso 1 1 calc R U . . .
C3 C 0.508(2) 0.0726(15) 0.4234(12) 0.042(6) Uani 1 1 d . U . . .
C4 C 0.563(2) -0.1086(14) 0.3541(12) 0.047(7) Uani 1 1 d . U . . .
H4B H 0.5072 -0.1322 0.3769 0.071 Uiso 1 1 calc R U . . .
H4C H 0.6377 -0.1209 0.3670 0.071 Uiso 1 1 calc R U . . .
H4D H 0.5542 -0.1247 0.3165 0.071 Uiso 1 1 calc R U . . .
C5 C 0.433(2) -0.0128(14) 0.3317(11) 0.041(6) Uani 1 1 d . U . . .
H5 H 0.4107 0.0363 0.3409 0.061 Uiso 1 1 calc R U . . .
H5A H 0.3772 -0.0464 0.3460 0.061 Uiso 1 1 calc R U . . .
H5B H 0.4369 -0.0178 0.2923 0.061 Uiso 1 1 calc R U . . .
C6 C 0.4530(18) 0.1502(15) 0.1331(11) 0.036(5) Uani 1 1 d . U . . .
C7 C 0.4779(19) 0.1889(14) 0.0798(10) 0.030(5) Uani 1 1 d . U . . .
H7 H 0.4840 0.2412 0.0878 0.037 Uiso 1 1 calc R U . . .
C8 C 0.382(2) 0.1784(17) 0.0386(12) 0.041(6) Uani 1 1 d . U . . .
C9 C 0.4248(19) 0.0717(14) 0.1249(11) 0.042(6) Uani 1 1 d . U . . .
H9 H 0.3505 0.0675 0.1088 0.062 Uiso 1 1 calc R U . . .
H9A H 0.4259 0.0470 0.1600 0.062 Uiso 1 1 calc R U . . .
H9B H 0.4798 0.0498 0.1007 0.062 Uiso 1 1 calc R U . . .
C10 C 0.358(2) 0.1860(17) 0.1640(11) 0.048(7) Uani 1 1 d . U . . .
H10 H 0.3660 0.2381 0.1620 0.072 Uiso 1 1 calc R U . . .
H10A H 0.3598 0.1709 0.2020 0.072 Uiso 1 1 calc R U . . .
H10B H 0.2865 0.1720 0.1479 0.072 Uiso 1 1 calc R U . . .
C11 C 0.921(2) 0.2008(16) 0.3828(13) 0.047(6) Uani 1 1 d . U . . .
C12 C 0.9415(19) 0.1413(14) 0.4256(11) 0.038(5) Uani 1 1 d . U . . .
H12 H 0.9885 0.1616 0.4553 0.046 Uiso 1 1 calc R U . . .
C13 C 1.001(2) 0.0755(16) 0.4020(12) 0.041(6) Uani 1 1 d . U . . .
C14 C 0.880(2) 0.2687(16) 0.4108(13) 0.058(8) Uani 1 1 d . U . . .
H14 H 0.9368 0.2853 0.4364 0.087 Uiso 1 1 calc R U . . .
H14A H 0.8109 0.2585 0.4305 0.087 Uiso 1 1 calc R U . . .
H14B H 0.8662 0.3059 0.3837 0.087 Uiso 1 1 calc R U . . .
C15 C 1.024(2) 0.2202(16) 0.3514(14) 0.056(8) Uani 1 1 d . U . . .
H15 H 1.0037 0.2530 0.3219 0.083 Uiso 1 1 calc R U . . .
H15A H 1.0569 0.1767 0.3362 0.083 Uiso 1 1 calc R U . . .
H15B H 1.0771 0.2435 0.3756 0.083 Uiso 1 1 calc R U . . .
C16 C 0.9722(19) 0.1353(15) 0.1232(11) 0.036(5) Uani 1 1 d . U . . .
C17 C 0.939(2) 0.1175(16) 0.0636(10) 0.038(5) Uani 1 1 d . U . . .
H17 H 0.9268 0.0648 0.0593 0.045 Uiso 1 1 calc R U . . .
C18 C 1.0358(19) 0.1435(16) 0.0251(11) 0.037(5) Uani 1 1 d . U . . .
C19 C 1.004(2) 0.2120(14) 0.1346(11) 0.039(6) Uani 1 1 d . U . . .
H19 H 1.0224 0.2173 0.1731 0.059 Uiso 1 1 calc R U . . .
H19A H 0.9413 0.2435 0.1256 0.059 Uiso 1 1 calc R U . . .
H19B H 1.0686 0.2251 0.1126 0.059 Uiso 1 1 calc R U . . .
C20 C 1.071(2) 0.0878(15) 0.1412(11) 0.044(6) Uani 1 1 d . U . . .
H20 H 1.1290 0.0892 0.1136 0.065 Uiso 1 1 calc R U . . .
H20A H 1.0448 0.0384 0.1459 0.065 Uiso 1 1 calc R U . . .
H20B H 1.1003 0.1057 0.1756 0.065 Uiso 1 1 calc R U . . .
Zn1 Zn 0.2393(2) 0.12227(18) -0.02782(14) 0.0406(8) Uani 1 1 d . . . . .
Cl1 Cl 0.2305(6) 0.1853(4) -0.1047(3) 0.052(2) Uani 1 1 d . . . . .
O9 O 0.2554(14) 0.0185(10) -0.0508(8) 0.049(5) Uani 1 1 d . . . . .
Cl2 Cl 0.6893(7) -0.0050(5) 0.0565(4) 0.065(3) Uani 1 1 d . . . . .
O10 O 0.3006(17) 0.1736(11) 0.3055(8) 0.056(6) Uani 1 1 d . U . . .
O11 O 0.7145(15) 0.1496(9) -0.0587(8) 0.051(6) Uani 1 1 d . . . . .
O12 O 1.1678(16) 0.0530(12) 0.2885(10) 0.074(7) Uani 1 1 d . . . . .
O13 O 0.6140(17) 0.0968(10) 0.5962(9) 0.063(6) Uani 1 1 d . . . . .
O14 O 0.8608(17) -0.0956(13) 0.2092(9) 0.069(7) Uani 1 1 d . . . . .
O15 O 0.7653(19) 0.4269(12) 0.2638(10) 0.088(8) Uani 1 1 d . . . . .
O16 O 0.6981(18) 0.2072(10) 0.5281(9) 0.065(6) Uani 1 1 d . . . . .
O17 O 0.2618(16) 0.1774(13) 0.4166(10) 0.072(7) Uani 1 1 d . . . . .
O18 O 0.9583(18) 0.3647(11) 0.2245(11) 0.079(8) Uani 1 1 d . . . . .
O19 O 0.9859(15) -0.1144(10) 0.3871(10) 0.065(7) Uani 1 1 d . . . . .
O20 O 1.0902(19) -0.0455(12) 0.0512(9) 0.072(7) Uani 1 1 d . . . . .
O21 O 0.691(2) -0.1857(13) 0.2294(11) 0.100(10) Uani 1 1 d . . . . .
O22 O 1.257(2) -0.0695(14) 0.1259(12) 0.110(10) Uani 1 1 d . . . . .
O23 O 0.534(2) 0.2576(11) 0.4559(10) 0.080(8) Uani 1 1 d . . . . .
O24 O 0.549(3) 0.3551(17) 0.2913(12) 0.135(14) Uani 1 1 d . . . . .
O25 O 0.524(3) 0.3817(15) 0.4036(14) 0.118(11) 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
Pt1 N7 2.081(19) . ?
Pt1 N8 2.099(18) . ?
Pt1 S2 2.316(7) . ?
Pt1 S1 2.322(7) . ?
Pt1 Pt2 3.1976(13) . ?
Pt2 N6 2.00(2) . ?
Pt2 N5 2.04(2) . ?
Pt2 S4 2.301(7) . ?
Pt2 S3 2.327(7) . ?
Cu1 N3 2.02(2) . ?
Cu1 N1 2.03(2) . ?
Cu1 S3 2.300(8) . ?
Cu1 S1 2.300(8) . ?
Cu1 O1 2.369(17) . ?
Cu2 N4 1.99(2) . ?
Cu2 N2 2.02(2) . ?
Cu2 S2 2.273(7) . ?
Cu2 S4 2.285(7) . ?
S1 C1 1.83(3) . ?
S2 C6 1.84(2) . ?
S3 C11 1.84(3) . ?
S4 C16 1.83(2) . ?
O1 C3 1.23(3) . ?
O2 C3 1.31(3) . ?
O3 C8 1.25(3) . ?
O3 Zn1 2.001(19) . ?
O4 C8 1.22(3) . ?
O5 C13 1.28(3) . ?
O6 C13 1.19(3) . ?
O7 C18 1.21(3) . ?
O8 C18 1.29(3) . ?
O8 Zn1 1.928(16) 1_655 ?
N1 C2 1.47(3) . ?
N1 H1 0.9100 . ?
N1 H1A 0.9100 . ?
N2 C7 1.49(3) . ?
N2 H2 0.9100 . ?
N2 H2A 0.9100 . ?
N3 C12 1.47(3) . ?
N3 H3 0.9100 . ?
N3 H3A 0.9100 . ?
N4 C17 1.52(3) . ?
N4 H4 0.9100 . ?
N4 H4A 0.9100 . ?
N5 H5C 0.9100 . ?
N5 H5D 0.9100 . ?
N5 H5E 0.9100 . ?
N6 H6 0.9100 . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N7 H7A 0.9100 . ?
N7 H7B 0.9100 . ?
N7 H7C 0.9100 . ?
N8 H8 0.9100 . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
C1 C4 1.49(3) . ?
C1 C5 1.54(3) . ?
C1 C2 1.54(4) . ?
C2 C3 1.57(4) . ?
C2 H2B 1.0000 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C4 H4D 0.9800 . ?
C5 H5 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C6 C9 1.52(4) . ?
C6 C10 1.53(3) . ?
C6 C7 1.53(3) . ?
C7 C8 1.55(4) . ?
C7 H7 1.0000 . ?
C8 Zn1 2.59(3) . ?
C9 H9 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C10 H10 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C11 C15 1.50(4) . ?
C11 C14 1.53(4) . ?
C11 C12 1.55(4) . ?
C12 C13 1.54(4) . ?
C12 H12 1.0000 . ?
C14 H14 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C15 H15 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C16 C19 1.51(4) . ?
C16 C20 1.54(3) . ?
C16 C17 1.56(4) . ?
C17 C18 1.58(3) . ?
C17 H17 1.0000 . ?
C19 H19 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C20 H20 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
Zn1 O8 1.928(16) 1_455 ?
Zn1 O9 2.029(19) . ?
Zn1 Cl1 2.236(8) . ?

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
N7 Pt1 N8 175.7(8) . . ?
N7 Pt1 S2 87.0(6) . . ?
N8 Pt1 S2 95.1(6) . . ?
N7 Pt1 S1 93.1(6) . . ?
N8 Pt1 S1 85.7(6) . . ?
S2 Pt1 S1 167.7(2) . . ?
N7 Pt1 Pt2 89.7(6) . . ?
N8 Pt1 Pt2 94.2(6) . . ?
S2 Pt1 Pt2 84.57(16) . . ?
S1 Pt1 Pt2 83.17(17) . . ?
N6 Pt2 N5 175.8(9) . . ?
N6 Pt2 S4 93.2(6) . . ?
N5 Pt2 S4 87.9(6) . . ?
N6 Pt2 S3 86.4(6) . . ?
N5 Pt2 S3 93.5(6) . . ?
S4 Pt2 S3 165.9(2) . . ?
N6 Pt2 Pt1 92.2(6) . . ?
N5 Pt2 Pt1 91.9(6) . . ?
S4 Pt2 Pt1 81.74(16) . . ?
S3 Pt2 Pt1 84.20(16) . . ?
N3 Cu1 N1 96.4(9) . . ?
N3 Cu1 S3 84.2(7) . . ?
N1 Cu1 S3 172.0(7) . . ?
N3 Cu1 S1 171.9(7) . . ?
N1 Cu1 S1 82.9(7) . . ?
S3 Cu1 S1 97.6(3) . . ?
N3 Cu1 O1 98.9(8) . . ?
N1 Cu1 O1 75.7(8) . . ?
S3 Cu1 O1 96.2(5) . . ?
S1 Cu1 O1 88.8(5) . . ?
N4 Cu2 N2 95.2(8) . . ?
N4 Cu2 S2 168.9(7) . . ?
N2 Cu2 S2 85.0(6) . . ?
N4 Cu2 S4 85.6(6) . . ?
N2 Cu2 S4 168.5(7) . . ?
S2 Cu2 S4 96.4(3) . . ?
C1 S1 Cu1 98.9(10) . . ?
C1 S1 Pt1 115.8(9) . . ?
Cu1 S1 Pt1 116.5(3) . . ?
C6 S2 Cu2 100.9(9) . . ?
C6 S2 Pt1 115.0(9) . . ?
Cu2 S2 Pt1 114.9(3) . . ?
C11 S3 Cu1 99.4(10) . . ?
C11 S3 Pt2 115.6(10) . . ?
Cu1 S3 Pt2 112.7(3) . . ?
C16 S4 Cu2 99.5(9) . . ?
C16 S4 Pt2 114.1(9) . . ?
Cu2 S4 Pt2 117.3(3) . . ?
C3 O1 Cu1 105.6(16) . . ?
C8 O3 Zn1 103.1(17) . . ?
C18 O8 Zn1 119.7(16) . 1_655 ?
C2 N1 Cu1 106.3(16) . . ?
C2 N1 H1 110.5 . . ?
Cu1 N1 H1 110.5 . . ?
C2 N1 H1A 110.5 . . ?
Cu1 N1 H1A 110.5 . . ?
H1 N1 H1A 108.7 . . ?
C7 N2 Cu2 116.1(15) . . ?
C7 N2 H2 108.3 . . ?
Cu2 N2 H2 108.3 . . ?
C7 N2 H2A 108.3 . . ?
Cu2 N2 H2A 108.3 . . ?
H2 N2 H2A 107.4 . . ?
C12 N3 Cu1 108.0(16) . . ?
C12 N3 H3 110.1 . . ?
Cu1 N3 H3 110.1 . . ?
C12 N3 H3A 110.1 . . ?
Cu1 N3 H3A 110.1 . . ?
H3 N3 H3A 108.4 . . ?
C17 N4 Cu2 114.9(15) . . ?
C17 N4 H4 108.5 . . ?
Cu2 N4 H4 108.5 . . ?
C17 N4 H4A 108.5 . . ?
Cu2 N4 H4A 108.5 . . ?
H4 N4 H4A 107.5 . . ?
Pt2 N5 H5C 109.5 . . ?
Pt2 N5 H5D 109.5 . . ?
H5C N5 H5D 109.5 . . ?
Pt2 N5 H5E 109.5 . . ?
H5C N5 H5E 109.5 . . ?
H5D N5 H5E 109.5 . . ?
Pt2 N6 H6 109.5 . . ?
Pt2 N6 H6A 109.5 . . ?
H6 N6 H6A 109.5 . . ?
Pt2 N6 H6B 109.5 . . ?
H6 N6 H6B 109.5 . . ?
H6A N6 H6B 109.5 . . ?
Pt1 N7 H7A 109.5 . . ?
Pt1 N7 H7B 109.5 . . ?
H7A N7 H7B 109.5 . . ?
Pt1 N7 H7C 109.5 . . ?
H7A N7 H7C 109.5 . . ?
H7B N7 H7C 109.5 . . ?
Pt1 N8 H8 109.5 . . ?
Pt1 N8 H8A 109.5 . . ?
H8 N8 H8A 109.5 . . ?
Pt1 N8 H8B 109.5 . . ?
H8 N8 H8B 109.5 . . ?
H8A N8 H8B 109.5 . . ?
C4 C1 C5 107(2) . . ?
C4 C1 C2 109(2) . . ?
C5 C1 C2 112(2) . . ?
C4 C1 S1 109.4(19) . . ?
C5 C1 S1 110.6(19) . . ?
C2 C1 S1 109.3(19) . . ?
N1 C2 C1 110(2) . . ?
N1 C2 C3 105(2) . . ?
C1 C2 C3 111(2) . . ?
N1 C2 H2B 110.4 . . ?
C1 C2 H2B 110.4 . . ?
C3 C2 H2B 110.4 . . ?
O1 C3 O2 127(3) . . ?
O1 C3 C2 120(2) . . ?
O2 C3 C2 113(2) . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C1 C4 H4D 109.5 . . ?
H4B C4 H4D 109.5 . . ?
H4C C4 H4D 109.5 . . ?
C1 C5 H5 109.5 . . ?
C1 C5 H5A 109.5 . . ?
H5 C5 H5A 109.5 . . ?
C1 C5 H5B 109.5 . . ?
H5 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C9 C6 C10 109(2) . . ?
C9 C6 C7 113(2) . . ?
C10 C6 C7 112(2) . . ?
C9 C6 S2 111.4(17) . . ?
C10 C6 S2 108.3(19) . . ?
C7 C6 S2 103.9(16) . . ?
N2 C7 C6 112(2) . . ?
N2 C7 C8 110(2) . . ?
C6 C7 C8 111(2) . . ?
N2 C7 H7 107.9 . . ?
C6 C7 H7 107.9 . . ?
C8 C7 H7 107.9 . . ?
O4 C8 O3 122(3) . . ?
O4 C8 C7 120(3) . . ?
O3 C8 C7 117(2) . . ?
O4 C8 Zn1 73.6(16) . . ?
O3 C8 Zn1 48.8(13) . . ?
C7 C8 Zn1 163(2) . . ?
C6 C9 H9 109.5 . . ?
C6 C9 H9A 109.5 . . ?
H9 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C10 H10 109.5 . . ?
C6 C10 H10A 109.5 . . ?
H10 C10 H10A 109.5 . . ?
C6 C10 H10B 109.5 . . ?
H10 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C15 C11 C14 107(2) . . ?
C15 C11 C12 113(2) . . ?
C14 C11 C12 110(3) . . ?
C15 C11 S3 113(2) . . ?
C14 C11 S3 104.9(18) . . ?
C12 C11 S3 108.3(19) . . ?
N3 C12 C13 109(2) . . ?
N3 C12 C11 109(2) . . ?
C13 C12 C11 113(2) . . ?
N3 C12 H12 108.6 . . ?
C13 C12 H12 108.6 . . ?
C11 C12 H12 108.6 . . ?
O6 C13 O5 125(3) . . ?
O6 C13 C12 120(3) . . ?
O5 C13 C12 114(2) . . ?
C11 C14 H14 109.5 . . ?
C11 C14 H14A 109.5 . . ?
H14 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C15 H15 109.5 . . ?
C11 C15 H15A 109.5 . . ?
H15 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C19 C16 C20 107(2) . . ?
C19 C16 C17 116(2) . . ?
C20 C16 C17 110(2) . . ?
C19 C16 S4 112.8(19) . . ?
C20 C16 S4 106.9(17) . . ?
C17 C16 S4 102.8(16) . . ?
N4 C17 C16 108(2) . . ?
N4 C17 C18 110(2) . . ?
C16 C17 C18 108(2) . . ?
N4 C17 H17 110.1 . . ?
C16 C17 H17 110.1 . . ?
C18 C17 H17 110.1 . . ?
O7 C18 O8 126(2) . . ?
O7 C18 C17 119(2) . . ?
O8 C18 C17 115(2) . . ?
C16 C19 H19 109.5 . . ?
C16 C19 H19A 109.5 . . ?
H19 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C20 H20 109.5 . . ?
C16 C20 H20A 109.5 . . ?
H20 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
O8 Zn1 O3 120.6(8) 1_455 . ?
O8 Zn1 O9 89.5(7) 1_455 . ?
O3 Zn1 O9 94.5(8) . . ?
O8 Zn1 Cl1 124.3(5) 1_455 . ?
O3 Zn1 Cl1 111.5(7) . . ?
O9 Zn1 Cl1 105.7(6) . . ?
O8 Zn1 C8 106.1(8) 1_455 . ?
O3 Zn1 C8 28.1(8) . . ?
O9 Zn1 C8 120.0(9) . . ?
Cl1 Zn1 C8 110.8(6) . . ?

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
Cu1 S1 C1 C4 -116(2) . . . . ?
Pt1 S1 C1 C4 118.4(18) . . . . ?
Cu1 S1 C1 C5 126.1(18) . . . . ?
Pt1 S1 C1 C5 1(2) . . . . ?
Cu1 S1 C1 C2 2.8(17) . . . . ?
Pt1 S1 C1 C2 -122.6(15) . . . . ?
Cu1 N1 C2 C1 64(2) . . . . ?
Cu1 N1 C2 C3 -55(2) . . . . ?
C4 C1 C2 N1 79(3) . . . . ?
C5 C1 C2 N1 -163(2) . . . . ?
S1 C1 C2 N1 -40(3) . . . . ?
C4 C1 C2 C3 -166(2) . . . . ?
C5 C1 C2 C3 -48(3) . . . . ?
S1 C1 C2 C3 75(2) . . . . ?
Cu1 O1 C3 O2 172(3) . . . . ?
Cu1 O1 C3 C2 -4(3) . . . . ?
N1 C2 C3 O1 39(3) . . . . ?
C1 C2 C3 O1 -80(3) . . . . ?
N1 C2 C3 O2 -138(2) . . . . ?
C1 C2 C3 O2 104(3) . . . . ?
Cu2 S2 C6 C9 83.0(18) . . . . ?
Pt1 S2 C6 C9 -41(2) . . . . ?
Cu2 S2 C6 C10 -157.3(17) . . . . ?
Pt1 S2 C6 C10 78.4(19) . . . . ?
Cu2 S2 C6 C7 -38.5(18) . . . . ?
Pt1 S2 C6 C7 -162.7(14) . . . . ?
Cu2 N2 C7 C6 -40(3) . . . . ?
Cu2 N2 C7 C8 -163.9(17) . . . . ?
C9 C6 C7 N2 -70(3) . . . . ?
C10 C6 C7 N2 167(2) . . . . ?
S2 C6 C7 N2 51(2) . . . . ?
C9 C6 C7 C8 54(3) . . . . ?
C10 C6 C7 C8 -69(3) . . . . ?
S2 C6 C7 C8 174.2(19) . . . . ?
Zn1 O3 C8 O4 -3(3) . . . . ?
Zn1 O3 C8 C7 168.9(18) . . . . ?
N2 C7 C8 O4 -157(2) . . . . ?
C6 C7 C8 O4 78(3) . . . . ?
N2 C7 C8 O3 31(3) . . . . ?
C6 C7 C8 O3 -94(3) . . . . ?
N2 C7 C8 Zn1 61(7) . . . . ?
C6 C7 C8 Zn1 -64(7) . . . . ?
Cu1 S3 C11 C15 137(2) . . . . ?
Pt2 S3 C11 C15 16(2) . . . . ?
Cu1 S3 C11 C14 -106.7(19) . . . . ?
Pt2 S3 C11 C14 132.4(17) . . . . ?
Cu1 S3 C11 C12 10(2) . . . . ?
Pt2 S3 C11 C12 -110.5(18) . . . . ?
Cu1 N3 C12 C13 -61(2) . . . . ?
Cu1 N3 C12 C11 63(2) . . . . ?
C15 C11 C12 N3 -172(3) . . . . ?
C14 C11 C12 N3 68(3) . . . . ?
S3 C11 C12 N3 -45(3) . . . . ?
C15 C11 C12 C13 -51(3) . . . . ?
C14 C11 C12 C13 -170(2) . . . . ?
S3 C11 C12 C13 76(2) . . . . ?
N3 C12 C13 O6 -152(3) . . . . ?
C11 C12 C13 O6 86(3) . . . . ?
N3 C12 C13 O5 27(3) . . . . ?
C11 C12 C13 O5 -95(3) . . . . ?
Cu2 S4 C16 C19 83.7(18) . . . . ?
Pt2 S4 C16 C19 -42(2) . . . . ?
Cu2 S4 C16 C20 -158.6(17) . . . . ?
Pt2 S4 C16 C20 75.7(19) . . . . ?
Cu2 S4 C16 C17 -42.4(18) . . . . ?
Pt2 S4 C16 C17 -168.1(14) . . . . ?
Cu2 N4 C17 C16 -48(3) . . . . ?
Cu2 N4 C17 C18 -165.9(17) . . . . ?
C19 C16 C17 N4 -66(3) . . . . ?
C20 C16 C17 N4 172(2) . . . . ?
S4 C16 C17 N4 58(2) . . . . ?
C19 C16 C17 C18 54(3) . . . . ?
C20 C16 C17 C18 -69(3) . . . . ?
S4 C16 C17 C18 177.6(18) . . . . ?
Zn1 O8 C18 O7 6(4) 1_655 . . . ?
Zn1 O8 C18 C17 -176.7(16) 1_655 . . . ?
N4 C17 C18 O7 25(4) . . . . ?
C16 C17 C18 O7 -92(3) . . . . ?
N4 C17 C18 O8 -152(2) . . . . ?
C16 C17 C18 O8 91(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1 O11 0.91 2.21 3.09(3) 163.6 2_655
N1 H1A Cl2 0.91 2.70 3.47(2) 142.8 2_655
N2 H2 O7 0.91 2.23 2.96(3) 136.1 3_455
N2 H2A Cl2 0.91 2.83 3.42(2) 123.5 .
N3 H3 O16 0.91 2.22 3.05(3) 151.8 .
N3 H3A Cl2 0.91 2.54 3.42(2) 160.5 2_655
N4 H4 O11 0.91 2.20 3.05(3) 155.8 .
N5 H5C O12 0.91 2.37 3.12(3) 139.4 .
N5 H5D O14 0.91 2.31 3.10(3) 146.2 .
N5 H5E O5 0.91 1.99 2.90(3) 171.5 .
N6 H6 O18 0.91 2.12 2.97(3) 155.3 .
N6 H6B Cl1 0.91 2.68 3.51(2) 152.7 3
N7 H7A O10 0.91 2.08 2.99(3) 175.7 .
N7 H7C S3 0.91 2.73 3.27(2) 118.5 .
N7 H7C O1 0.91 2.20 3.03(3) 151.0 .
N8 H8 O14 0.91 2.48 3.12(3) 127.6 .
N8 H8A S4 0.91 2.65 3.37(2) 136.3 .
C2 H2B O8 1.00 2.59 3.57(3) 164.7 2_655
C15 H15A O6 0.98 2.53 3.12(4) 118.5 .
C20 H20 O8 0.98 2.44 3.15(3) 129.3 .
N1 H1 O11 0.91 2.21 3.09(3) 163.6 2_655
N1 H1A Cl2 0.91 2.70 3.47(2) 142.8 2_655

_refine_diff_density_max         3.374
_refine_diff_density_min         -2.655
_refine_diff_density_rms         0.264

