# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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. 
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#######################################################################

data_3_4H2O
_database_code_depnum_ccdc_archive 'CCDC 1502816'
_audit_update_record             
;
2017-05-16 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 N4 O10 Pt2'
_chemical_formula_weight         920.67

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

_cell_length_a                   11.4751(8)
_cell_length_b                   19.2533(14)
_cell_length_c                   11.9630(8)
_cell_angle_alpha                90
_cell_angle_beta                 104.5810(10)
_cell_angle_gamma                90
_cell_volume                     2557.9(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9892
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      28.47

_exptl_crystal_description       Needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.391
_exptl_crystal_F_000             1736
_exptl_transmission_factor_min   0.7342
_exptl_transmission_factor_max   0.8621
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.039
_exptl_crystal_size_min          0.025
_exptl_absorpt_coefficient_mu    10.993
_shelx_estimated_absorpt_T_min   0.558
_shelx_estimated_absorpt_T_max   0.771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS-2014/2 - Bruker 2014'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            27798
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_av_R_equivalents  0.0253
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.053
_diffrn_reflns_theta_max         26.731
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5434
_reflns_number_gt                4928
_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       'Bruker APEX2 (Bruker 2014)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2014)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2014)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'XCIF (Bruker, 2014)'
_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)+(0.0186P)²+5.2047P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5434
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0185
_refine_ls_wR_factor_ref         0.0445
_refine_ls_wR_factor_gt          0.0425
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_restrained_S_all      1.039
_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
C1 C 0.1736(4) -0.0061(2) 0.8692(4) 0.0332(9) Uani 1 1 d . . . . .
C2 C 0.2014(3) 0.0347(2) 0.7694(3) 0.0307(8) Uani 1 1 d . . . . .
H2 H 0.252986 0.005077 0.732693 0.037 Uiso 1 1 calc R U . . .
C3 C 0.0820(4) 0.0488(2) 0.6792(3) 0.0320(9) Uani 1 1 d . . . . .
H3 H 0.045138 0.003142 0.649590 0.038 Uiso 1 1 calc R U . . .
C4 C 0.1096(4) 0.0886(2) 0.5787(4) 0.0386(10) Uani 1 1 d . . . . .
C5 C 0.1363(3) 0.1248(2) 1.1648(3) 0.0317(9) Uani 1 1 d . . . . .
H5 H 0.133011 0.075852 1.154696 0.038 Uiso 1 1 calc R U . . .
C6 C 0.1004(4) 0.1537(2) 1.2565(4) 0.0386(10) Uani 1 1 d . . . . .
H6 H 0.074693 0.124742 1.309932 0.046 Uiso 1 1 calc R U . . .
C7 C 0.1022(4) 0.2247(2) 1.2699(4) 0.0400(10) Uani 1 1 d . . . . .
H7 H 0.076220 0.245102 1.331822 0.048 Uiso 1 1 calc R U . . .
C8 C 0.1422(4) 0.2661(2) 1.1926(3) 0.0342(9) Uani 1 1 d . . . . .
H8 H 0.144171 0.315227 1.200885 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1792(3) 0.23512(18) 1.1029(3) 0.0250(8) Uani 1 1 d . . . . .
C10 C 0.2230(3) 0.27263(19) 1.0146(3) 0.0263(8) Uani 1 1 d . . . . .
C11 C 0.2346(4) 0.3435(2) 1.0086(4) 0.0352(9) Uani 1 1 d . . . . .
H11 H 0.212253 0.372819 1.063699 0.042 Uiso 1 1 calc R U . . .
C12 C 0.2794(4) 0.3717(2) 0.9212(4) 0.0427(11) Uani 1 1 d . . . . .
H12 H 0.288947 0.420582 0.916640 0.051 Uiso 1 1 calc R U . . .
C13 C 0.3097(4) 0.3291(2) 0.8415(4) 0.0394(10) Uani 1 1 d . . . . .
H13 H 0.339931 0.347955 0.781011 0.047 Uiso 1 1 calc R U . . .
C14 C 0.2958(4) 0.2583(2) 0.8502(3) 0.0339(9) Uani 1 1 d . . . . .
H14 H 0.316645 0.228696 0.794730 0.041 Uiso 1 1 calc R U . . .
C15 C -0.0934(3) 0.1809(2) 0.9036(4) 0.0341(9) Uani 1 1 d . . . . .
H15 H -0.087312 0.131868 0.897885 0.041 Uiso 1 1 calc R U . . .
C16 C -0.1375(4) 0.2086(2) 0.9910(4) 0.0399(10) Uani 1 1 d . . . . .
H16 H -0.162300 0.179105 1.044426 0.048 Uiso 1 1 calc R U . . .
C17 C -0.1450(4) 0.2795(3) 0.9995(4) 0.0434(11) Uani 1 1 d . . . . .
H17 H -0.174788 0.299412 1.059557 0.052 Uiso 1 1 calc R U . . .
C18 C -0.1095(4) 0.3221(2) 0.9211(4) 0.0371(10) Uani 1 1 d . . . . .
H18 H -0.114314 0.371205 0.926576 0.044 Uiso 1 1 calc R U . . .
C19 C -0.0667(3) 0.2916(2) 0.8341(3) 0.0290(8) Uani 1 1 d . . . . .
C20 C -0.0255(3) 0.3297(2) 0.7447(3) 0.0295(8) Uani 1 1 d . . . . .
C21 C -0.0230(4) 0.4010(2) 0.7330(4) 0.0405(10) Uani 1 1 d . . . . .
H21 H -0.051250 0.430216 0.784610 0.049 Uiso 1 1 calc R U . . .
C22 C 0.0211(4) 0.4298(2) 0.6452(4) 0.0467(12) Uani 1 1 d . . . . .
H22 H 0.023709 0.478773 0.636396 0.056 Uiso 1 1 calc R U . . .
C23 C 0.0607(4) 0.3867(2) 0.5715(4) 0.0445(11) Uani 1 1 d . . . . .
H23 H 0.090540 0.405583 0.510740 0.053 Uiso 1 1 calc R U . . .
C24 C 0.0572(4) 0.3161(2) 0.5858(4) 0.0374(10) Uani 1 1 d . . . . .
H24 H 0.085492 0.286547 0.534622 0.045 Uiso 1 1 calc R U . . .
N1 N 0.1758(3) 0.16478(15) 1.0896(3) 0.0239(6) Uani 1 1 d . . . . .
N2 N 0.2535(3) 0.23011(16) 0.9349(3) 0.0248(6) Uani 1 1 d . . . . .
N3 N -0.0588(3) 0.22151(16) 0.8259(3) 0.0260(7) Uani 1 1 d . . . . .
N4 N 0.0148(3) 0.28759(17) 0.6702(3) 0.0282(7) Uani 1 1 d . . . . .
O1 O 0.1873(3) 0.02842(13) 0.9660(2) 0.0342(6) Uani 1 1 d . . . . .
O2 O 0.1421(3) -0.06697(14) 0.8594(3) 0.0468(8) Uani 1 1 d . . . . .
O3 O 0.2644(2) 0.09641(14) 0.8076(2) 0.0302(6) Uani 1 1 d . . . . .
O4 O -0.0001(2) 0.08518(14) 0.7291(2) 0.0326(6) Uani 1 1 d . . . . .
O5 O 0.0799(3) 0.15386(15) 0.5711(2) 0.0364(6) Uani 1 1 d . . . . .
O6 O 0.1586(3) 0.06006(18) 0.5114(3) 0.0556(9) Uani 1 1 d . . . . .
O1S O 0.7880(3) 0.01896(18) 0.6796(3) 0.0583(9) Uani 1 1 d . . . . .
H1SA H 0.776788 -0.000746 0.614185 0.087 Uiso 1 1 d R U . . .
H1SB H 0.852638 0.041474 0.683395 0.087 Uiso 1 1 d R U . . .
O2S O 0.6856(3) 0.0562(2) 0.8491(3) 0.0639(10) Uani 1 1 d . . . . .
H2SA H 0.732087 0.027942 0.893733 0.096 Uiso 1 1 d R U . . .
H2SB H 0.708347 0.041812 0.790833 0.096 Uiso 1 1 d R U . . .
O3S O 0.4672(4) 0.1143(2) 0.7437(5) 0.0953(17) Uani 1 1 d . . . . .
H3SA H 0.534696 0.093603 0.764107 0.143 Uiso 1 1 d R U . . .
H3SB H 0.411486 0.101063 0.774007 0.143 Uiso 1 1 d R U . . .
O4S O 0.4107(5) 0.0198(3) 0.5516(6) 0.138(2) Uani 1 1 d . . . . .
H4SA H 0.336977 0.023938 0.551768 0.207 Uiso 1 1 d R U . . .
H4SB H 0.427037 0.048048 0.608028 0.207 Uiso 1 1 d R U . . .
Pt1 Pt 0.22244(2) 0.12967(2) 0.95048(2) 0.02286(4) Uani 1 1 d . . . . .
Pt2 Pt 0.00850(2) 0.18634(2) 0.69938(2) 0.02592(4) 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
C1 O2 1.223(5) . ?
C1 O1 1.309(5) . ?
C1 C2 1.529(6) . ?
C2 O3 1.405(4) . ?
C2 C3 1.540(5) . ?
C2 H2 1.0000 . ?
C3 O4 1.421(5) . ?
C3 C4 1.524(6) . ?
C3 H3 1.0000 . ?
C4 O6 1.222(5) . ?
C4 O5 1.300(5) . ?
C5 N1 1.347(5) . ?
C5 C6 1.382(6) . ?
C5 H5 0.9500 . ?
C6 C7 1.375(6) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.385(5) . ?
C8 H8 0.9500 . ?
C9 N1 1.363(5) . ?
C9 C10 1.468(5) . ?
C10 N2 1.368(5) . ?
C10 C11 1.375(5) . ?
C11 C12 1.387(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.368(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.379(6) . ?
C13 H13 0.9500 . ?
C14 N2 1.343(5) . ?
C14 H14 0.9500 . ?
C15 N3 1.349(5) . ?
C15 C16 1.378(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.388(6) . ?
C18 H18 0.9500 . ?
C19 N3 1.357(5) . ?
C19 C20 1.471(6) . ?
C20 N4 1.368(5) . ?
C20 C21 1.381(6) . ?
C21 C22 1.391(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.369(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(6) . ?
C23 H23 0.9500 . ?
C24 N4 1.344(5) . ?
C24 H24 0.9500 . ?
N1 Pt1 1.990(3) . ?
N2 Pt1 1.984(3) . ?
N3 Pt2 1.984(3) . ?
N4 Pt2 1.985(3) . ?
O1 Pt1 2.009(3) . ?
O3 Pt1 1.994(2) . ?
O4 Pt2 1.987(3) . ?
O5 Pt2 2.013(3) . ?
O1S H1SA 0.8502 . ?
O1S H1SB 0.8499 . ?
O2S H2SA 0.8499 . ?
O2S H2SB 0.8500 . ?
O3S H3SA 0.8498 . ?
O3S H3SB 0.8501 . ?
O4S H4SA 0.8499 . ?
O4S H4SB 0.8499 . ?

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
O2 C1 O1 122.6(4) . . ?
O2 C1 C2 122.1(4) . . ?
O1 C1 C2 115.3(3) . . ?
O3 C2 C1 111.8(3) . . ?
O3 C2 C3 111.9(3) . . ?
C1 C2 C3 108.3(3) . . ?
O3 C2 H2 108.2 . . ?
C1 C2 H2 108.2 . . ?
C3 C2 H2 108.2 . . ?
O4 C3 C4 112.0(3) . . ?
O4 C3 C2 111.0(3) . . ?
C4 C3 C2 108.4(3) . . ?
O4 C3 H3 108.4 . . ?
C4 C3 H3 108.4 . . ?
C2 C3 H3 108.4 . . ?
O6 C4 O5 123.0(4) . . ?
O6 C4 C3 121.0(4) . . ?
O5 C4 C3 116.0(4) . . ?
N1 C5 C6 121.2(4) . . ?
N1 C5 H5 119.4 . . ?
C6 C5 H5 119.4 . . ?
C7 C6 C5 119.6(4) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 119.5(4) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C9 C8 C7 119.2(4) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
N1 C9 C8 120.9(3) . . ?
N1 C9 C10 114.2(3) . . ?
C8 C9 C10 124.9(3) . . ?
N2 C10 C11 120.8(4) . . ?
N2 C10 C9 113.7(3) . . ?
C11 C10 C9 125.5(4) . . ?
C10 C11 C12 119.1(4) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C13 C12 C11 119.9(4) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C12 C13 C14 119.1(4) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 H13 120.5 . . ?
N2 C14 C13 121.8(4) . . ?
N2 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
N3 C15 C16 121.8(4) . . ?
N3 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 118.8(4) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C19 118.6(4) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
N3 C19 C18 121.2(4) . . ?
N3 C19 C20 113.8(3) . . ?
C18 C19 C20 125.0(4) . . ?
N4 C20 C21 120.3(4) . . ?
N4 C20 C19 113.6(3) . . ?
C21 C20 C19 126.0(4) . . ?
C20 C21 C22 119.5(4) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C23 C22 C21 119.2(4) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C22 C23 C24 119.7(4) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
N4 C24 C23 121.7(4) . . ?
N4 C24 H24 119.2 . . ?
C23 C24 H24 119.2 . . ?
C5 N1 C9 119.6(3) . . ?
C5 N1 Pt1 124.9(3) . . ?
C9 N1 Pt1 115.4(2) . . ?
C14 N2 C10 119.3(3) . . ?
C14 N2 Pt1 125.0(3) . . ?
C10 N2 Pt1 115.7(2) . . ?
C15 N3 C19 119.3(3) . . ?
C15 N3 Pt2 124.5(3) . . ?
C19 N3 Pt2 116.1(3) . . ?
C24 N4 C20 119.5(3) . . ?
C24 N4 Pt2 124.7(3) . . ?
C20 N4 Pt2 115.8(3) . . ?
C1 O1 Pt1 113.1(2) . . ?
C2 O3 Pt1 109.6(2) . . ?
C3 O4 Pt2 109.9(2) . . ?
C4 O5 Pt2 113.4(3) . . ?
H1SA O1S H1SB 101.8 . . ?
H2SA O2S H2SB 91.9 . . ?
H3SA O3S H3SB 117.8 . . ?
H4SA O4S H4SB 87.7 . . ?
N2 Pt1 N1 80.81(12) . . ?
N2 Pt1 O3 98.30(12) . . ?
N1 Pt1 O3 177.97(11) . . ?
N2 Pt1 O1 178.80(12) . . ?
N1 Pt1 O1 98.62(12) . . ?
O3 Pt1 O1 82.24(11) . . ?
N3 Pt2 N4 80.63(13) . . ?
N3 Pt2 O4 98.72(12) . . ?
N4 Pt2 O4 179.15(12) . . ?
N3 Pt2 O5 177.97(12) . . ?
N4 Pt2 O5 97.55(13) . . ?
O4 Pt2 O5 83.11(12) . . ?

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
O2 C1 C2 O3 -164.7(4) . . . . ?
O1 C1 C2 O3 14.5(5) . . . . ?
O2 C1 C2 C3 71.5(5) . . . . ?
O1 C1 C2 C3 -109.3(4) . . . . ?
O3 C2 C3 O4 -66.4(4) . . . . ?
C1 C2 C3 O4 57.3(4) . . . . ?
O3 C2 C3 C4 57.1(4) . . . . ?
C1 C2 C3 C4 -179.2(3) . . . . ?
O4 C3 C4 O6 -165.4(4) . . . . ?
C2 C3 C4 O6 71.7(5) . . . . ?
O4 C3 C4 O5 15.7(5) . . . . ?
C2 C3 C4 O5 -107.2(4) . . . . ?
N1 C5 C6 C7 1.6(6) . . . . ?
C5 C6 C7 C8 -1.2(6) . . . . ?
C6 C7 C8 C9 0.2(6) . . . . ?
C7 C8 C9 N1 0.5(6) . . . . ?
C7 C8 C9 C10 179.7(4) . . . . ?
N1 C9 C10 N2 -0.4(4) . . . . ?
C8 C9 C10 N2 -179.7(3) . . . . ?
N1 C9 C10 C11 179.8(4) . . . . ?
C8 C9 C10 C11 0.6(6) . . . . ?
N2 C10 C11 C12 -0.8(6) . . . . ?
C9 C10 C11 C12 178.9(4) . . . . ?
C10 C11 C12 C13 0.9(6) . . . . ?
C11 C12 C13 C14 -0.4(6) . . . . ?
C12 C13 C14 N2 -0.2(6) . . . . ?
N3 C15 C16 C17 -0.7(6) . . . . ?
C15 C16 C17 C18 0.4(7) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C17 C18 C19 N3 -0.4(6) . . . . ?
C17 C18 C19 C20 -179.9(4) . . . . ?
N3 C19 C20 N4 -0.7(5) . . . . ?
C18 C19 C20 N4 178.8(4) . . . . ?
N3 C19 C20 C21 -179.6(4) . . . . ?
C18 C19 C20 C21 -0.1(6) . . . . ?
N4 C20 C21 C22 -0.2(6) . . . . ?
C19 C20 C21 C22 178.6(4) . . . . ?
C20 C21 C22 C23 0.3(7) . . . . ?
C21 C22 C23 C24 -0.5(7) . . . . ?
C22 C23 C24 N4 0.5(7) . . . . ?
C6 C5 N1 C9 -0.8(6) . . . . ?
C6 C5 N1 Pt1 -177.0(3) . . . . ?
C8 C9 N1 C5 -0.2(5) . . . . ?
C10 C9 N1 C5 -179.5(3) . . . . ?
C8 C9 N1 Pt1 176.3(3) . . . . ?
C10 C9 N1 Pt1 -3.0(4) . . . . ?
C13 C14 N2 C10 0.2(6) . . . . ?
C13 C14 N2 Pt1 176.8(3) . . . . ?
C11 C10 N2 C14 0.3(5) . . . . ?
C9 C10 N2 C14 -179.5(3) . . . . ?
C11 C10 N2 Pt1 -176.6(3) . . . . ?
C9 C10 N2 Pt1 3.7(4) . . . . ?
C16 C15 N3 C19 0.4(6) . . . . ?
C16 C15 N3 Pt2 178.8(3) . . . . ?
C18 C19 N3 C15 0.2(6) . . . . ?
C20 C19 N3 C15 179.7(3) . . . . ?
C18 C19 N3 Pt2 -178.4(3) . . . . ?
C20 C19 N3 Pt2 1.2(4) . . . . ?
C23 C24 N4 C20 -0.4(6) . . . . ?
C23 C24 N4 Pt2 -178.9(3) . . . . ?
C21 C20 N4 C24 0.2(6) . . . . ?
C19 C20 N4 C24 -178.7(3) . . . . ?
C21 C20 N4 Pt2 178.9(3) . . . . ?
C19 C20 N4 Pt2 0.0(4) . . . . ?
O2 C1 O1 Pt1 -173.9(3) . . . . ?
C2 C1 O1 Pt1 6.9(4) . . . . ?
C1 C2 O3 Pt1 -28.1(3) . . . . ?
C3 C2 O3 Pt1 93.6(3) . . . . ?
C4 C3 O4 Pt2 -24.8(4) . . . . ?
C2 C3 O4 Pt2 96.5(3) . . . . ?
O6 C4 O5 Pt2 -177.0(4) . . . . ?
C3 C4 O5 Pt2 1.8(4) . . . . ?

_refine_diff_density_max         1.168
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.102

####################################################################### 
# 
# 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_125H2O
_database_code_depnum_ccdc_archive 'CCDC 1502817'
_audit_update_record             
;
2017-05-16 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H86 N8 O37 Pt4'
_chemical_formula_weight         2147.60

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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

_cell_length_a                   23.328(6)
_cell_length_b                   15.799(4)
_cell_length_c                   22.403(6)
_cell_angle_alpha                90
_cell_angle_beta                 120.006(3)
_cell_angle_gamma                90
_cell_volume                     7150(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9011
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      26.21

_exptl_crystal_description       Prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.995
_exptl_crystal_F_000             4152
_exptl_transmission_factor_min   0.5991
_exptl_transmission_factor_max   0.8621
_exptl_crystal_size_max          0.065
_exptl_crystal_size_mid          0.034
_exptl_crystal_size_min          0.021
_exptl_absorpt_coefficient_mu    7.897
_shelx_estimated_absorpt_T_min   0.628
_shelx_estimated_absorpt_T_max   0.852
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS-2014/2 - Bruker 2014'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            35844
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.636
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             7030
_reflns_number_gt                5090
_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       'Bruker APEX2 (Bruker 2014)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2014)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2014)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'XCIF (Bruker, 2014)'
_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)+(0.0754P)²+167.0237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7030
_refine_ls_number_parameters     448
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0861
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1708
_refine_ls_wR_factor_gt          0.1439
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_restrained_S_all      1.136
_refine_ls_shift/su_max          0.100
_refine_ls_shift/su_mean         0.004

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
O11S O 0.5401(12) 0.2378(14) 0.4721(9) 0.153(8) Uani 1 1 d . . . . .
C1 C 0.0439(7) 0.2591(9) 0.1316(7) 0.048(3) Uani 1 1 d . . . . .
C2 C 0.0431(6) 0.2564(8) 0.1992(7) 0.043(3) Uani 1 1 d . . . . .
H2 H 0.012513 0.301878 0.197407 0.052 Uiso 1 1 calc R U . . .
C3 C 0.1120(6) 0.2745(8) 0.2616(7) 0.042(3) Uani 1 1 d . . . . .
H3 H 0.131700 0.323722 0.250141 0.050 Uiso 1 1 calc R U . . .
C4 C 0.1541(7) 0.1980(9) 0.2721(8) 0.050(3) Uani 1 1 d . . . . .
C5 C -0.0606(7) 0.0734(10) -0.0248(7) 0.050(3) Uani 1 1 d . . . . .
H5 H -0.039681 0.125490 -0.023362 0.060 Uiso 1 1 calc R U . . .
C6 C -0.0874(7) 0.0231(11) -0.0830(7) 0.057(4) Uani 1 1 d . . . . .
H6 H -0.086507 0.042485 -0.122736 0.069 Uiso 1 1 calc R U . . .
C7 C -0.1142(9) -0.0518(14) -0.0848(9) 0.077(5) Uani 1 1 d . . . . .
H7 H -0.131553 -0.085435 -0.125353 0.092 Uiso 1 1 calc R U . . .
C8 C -0.1171(8) -0.0808(11) -0.0287(9) 0.065(4) Uani 1 1 d . . . . .
H8 H -0.134579 -0.135241 -0.029024 0.078 Uiso 1 1 calc R U . . .
C9 C -0.0941(7) -0.0293(9) 0.0278(7) 0.047(3) Uani 1 1 d . . . . .
C10 C -0.0979(7) -0.0473(8) 0.0908(7) 0.047(3) Uani 1 1 d . . . . .
C11 C -0.1270(9) -0.1168(11) 0.1019(9) 0.069(5) Uani 1 1 d . . . . .
H11 H -0.142951 -0.161361 0.069081 0.083 Uiso 1 1 calc R U . . .
C12 C -0.1333(9) -0.1230(11) 0.1580(10) 0.073(5) Uani 1 1 d . . . . .
H12 H -0.154028 -0.170576 0.165217 0.088 Uiso 1 1 calc R U . . .
C13 C -0.1085(8) -0.0572(10) 0.2050(8) 0.061(4) Uani 1 1 d . . . . .
H13 H -0.112050 -0.059605 0.245358 0.073 Uiso 1 1 calc R U . . .
C14 C -0.0797(4) 0.0092(8) 0.1945(6) 0.046(3) Uani 1 1 d . . . . .
H14 H -0.063870 0.053911 0.227266 0.055 Uiso 1 1 calc R U . . .
C15 C 0.1078(7) 0.3428(9) 0.4597(8) 0.055(4) Uani 1 1 d . . . . .
H15 H 0.089926 0.372558 0.417294 0.066 Uiso 1 1 calc R U . . .
C16 C 0.0977(8) 0.3742(10) 0.5115(9) 0.062(4) Uani 1 1 d . . . . .
H16 H 0.072165 0.423958 0.504445 0.075 Uiso 1 1 calc R U . . .
C17 C 0.1256(9) 0.3316(12) 0.5738(9) 0.070(5) Uani 1 1 d . . . . .
H17 H 0.119495 0.351912 0.610137 0.084 Uiso 1 1 calc R U . . .
C18 C 0.1614(8) 0.2611(10) 0.5826(8) 0.058(4) Uani 1 1 d . . . . .
H18 H 0.180915 0.232132 0.625444 0.070 Uiso 1 1 calc R U . . .
C19 C 0.1698(7) 0.2311(9) 0.5306(8) 0.051(3) Uani 1 1 d . . . . .
C20 C 0.2064(6) 0.1547(9) 0.5345(8) 0.049(3) Uani 1 1 d . . . . .
C21 C 0.2371(7) 0.0996(10) 0.5921(8) 0.055(4) Uani 1 1 d . . . . .
H21 H 0.236215 0.111229 0.633228 0.066 Uiso 1 1 calc R U . . .
C22 C 0.2681(8) 0.0288(11) 0.5861(9) 0.063(4) Uani 1 1 d . . . . .
H22 H 0.288144 -0.010447 0.623140 0.075 Uiso 1 1 calc R U . . .
C23 C 0.2703(7) 0.0148(11) 0.5278(9) 0.067(5) Uani 1 1 d . . . . .
H23 H 0.293647 -0.032950 0.525071 0.080 Uiso 1 1 calc R U . . .
C24 C 0.2396(6) 0.0680(9) 0.4729(8) 0.052(4) Uani 1 1 d . . . . .
H24 H 0.240469 0.055776 0.431803 0.063 Uiso 1 1 calc R U . . .
N1 N -0.0650(5) 0.0465(7) 0.0308(5) 0.040(2) Uani 1 1 d . . . . .
N2 N -0.0723(5) 0.0150(6) 0.1389(5) 0.040(2) Uani 1 1 d . . . . .
N3 N 0.1423(5) 0.2713(7) 0.4679(6) 0.048(3) Uani 1 1 d . . . . .
N4 N 0.2081(5) 0.1374(7) 0.4760(6) 0.045(3) Uani 1 1 d . . . . .
O1 O 0.0137(5) 0.1985(6) 0.0884(5) 0.047(2) Uani 1 1 d . . . . .
O2 O 0.0688(6) 0.3186(7) 0.1177(6) 0.066(3) Uani 1 1 d . . . . .
O3 O 0.0180(4) 0.1768(5) 0.2077(4) 0.0362(18) Uani 1 1 d . . . . .
O4 O 0.1068(5) 0.2954(5) 0.3185(5) 0.046(2) Uani 1 1 d . . . . .
O5 O 0.1790(4) 0.1607(6) 0.3319(5) 0.049(2) Uani 1 1 d . . . . .
O6 O 0.1641(5) 0.1701(7) 0.2259(5) 0.064(3) Uani 1 1 d . . . . .
O1S O 0.0557(10) 0.4955(10) 0.1080(13) 0.170(9) Uani 1 1 d . . . . .
H1SA H 0.021362 0.528582 0.087295 0.255 Uiso 1 1 d R U . . .
H1SB H 0.042842 0.442982 0.100106 0.255 Uiso 1 1 d R U . . .
O2SA O 0.0742(17) 0.463(2) 0.2896(19) 0.056(7) Uani 0.5 1 d . . P A 1
H2SA H 0.037053 0.463541 0.250547 0.083 Uiso 0.5 1 d R U P A 1
H2SB H 0.091763 0.413221 0.297179 0.083 Uiso 0.5 1 d R U P A 1
O2SB O 0.055(2) 0.453(3) 0.307(2) 0.084(12) Uani 0.5 1 d . . P B 2
H2SC H 0.045730 0.458107 0.259774 0.126 Uiso 0.5 1 d R U P B 2
H2SD H 0.092440 0.407787 0.306404 0.126 Uiso 0.5 1 d R U P B 2
O3S O 0.0975(11) 0.6250(12) 0.3466(11) 0.160(8) Uani 1 1 d . . . . .
H3SA H 0.098399 0.579112 0.325572 0.240 Uiso 1 1 d R U . . .
H3SB H 0.086199 0.612439 0.377072 0.240 Uiso 1 1 d R U . . .
O4S O 0.2695(12) 0.1979(14) 0.0789(18) 0.254(18) Uani 1 1 d . . . . .
H4SA H 0.309094 0.176461 0.100152 0.381 Uiso 1 1 d R U . . .
H4SB H 0.246973 0.175421 0.038092 0.381 Uiso 1 1 d R U . . .
O5S O 0.2168(8) 0.2765(11) 0.1540(9) 0.122(6) Uani 1 1 d . . . . .
H5SA H 0.237716 0.242620 0.140848 0.183 Uiso 1 1 d R U . . .
H5SB H 0.183176 0.250070 0.152118 0.183 Uiso 1 1 d R U . . .
O6S O 0.1876(9) 0.4393(12) 0.0905(9) 0.127(6) Uani 1 1 d . . . . .
H6SA H 0.196242 0.389321 0.109245 0.191 Uiso 1 1 d R U . . .
H6SB H 0.202403 0.477731 0.122615 0.191 Uiso 1 1 d R U . . .
O7S O 0.2974(9) 0.3568(11) 0.2783(8) 0.169(10) Uani 1 1 d . . . . .
H7SA H 0.275339 0.329721 0.239451 0.254 Uiso 1 1 d R U . . .
H7SB H 0.329180 0.385570 0.278141 0.254 Uiso 1 1 d R U . . .
O8S O 0.2529(9) 0.0261(10) 0.2754(11) 0.144(7) Uani 1 1 d . . . . .
H8SA H 0.232571 0.072390 0.275111 0.215 Uiso 1 1 d R U . . .
H8SB H 0.225410 -0.007070 0.242402 0.215 Uiso 1 1 d R U . . .
O9S O 0.4604(10) 0.3199(13) 0.3629(11) 0.223(14) Uani 1 1 d . . . . .
H9SA H 0.417916 0.324687 0.346229 0.334 Uiso 1 1 d R U . . .
H9SB H 0.469048 0.320907 0.329419 0.334 Uiso 1 1 d R U . . .
O10S O 0.0668(11) 0.5784(13) 0.4499(14) 0.197(11) Uani 1 1 d . . . . .
H10A H 0.047919 0.625435 0.451008 0.295 Uiso 1 1 d R U . . .
H10B H 0.104569 0.573195 0.487889 0.295 Uiso 1 1 d R U . . .
H11A H 0.515165 0.259158 0.431511 0.295 Uiso 1 1 d R U . . .
H11B H 0.535505 0.264601 0.502692 0.295 Uiso 1 1 d R U . . .
O12S O 0.500000 0.2215(16) 0.250000 0.187(15) Uani 1 2 d S T P . .
H12A H 0.476650 0.252418 0.262110 0.281 Uiso 0.5 1 d R U P . .
H12B H 0.533170 0.199368 0.286520 0.281 Uiso 0.5 1 d R U P . .
O13S O 0.1373(12) 0.5574(19) 0.2358(12) 0.197(11) Uani 1 1 d . . . . .
H13A H 0.110735 0.538170 0.194587 0.296 Uiso 1 1 d R U . . .
H13B H 0.178056 0.553101 0.244658 0.296 Uiso 1 1 d R U . . .
Pt1 Pt -0.02833(2) 0.11030(3) 0.11760(2) 0.03600(16) Uani 1 1 d . . . . .
Pt2 Pt 0.15884(2) 0.21765(3) 0.39858(3) 0.04045(17) 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
O11S H11A 0.8657 . ?
O11S H11B 0.8583 . ?
C1 O2 1.225(17) . ?
C1 O1 1.291(16) . ?
C1 C2 1.52(2) . ?
C2 O3 1.440(14) . ?
C2 C3 1.539(17) . ?
C2 H2 1.0000 . ?
C3 O4 1.379(16) . ?
C3 C4 1.500(19) . ?
C3 H3 1.0000 . ?
C4 O6 1.249(17) . ?
C4 O5 1.305(17) . ?
C5 N1 1.366(18) . ?
C5 C6 1.38(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.33(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.37(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.37(2) . ?
C8 H8 0.9500 . ?
C9 N1 1.362(18) . ?
C9 C10 1.49(2) . ?
C10 N2 1.357(16) . ?
C10 C11 1.38(2) . ?
C11 C12 1.34(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.38(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.329(18) . ?
C13 H13 0.9500 . ?
C14 N2 1.343(17) . ?
C14 H14 0.9500 . ?
C15 N3 1.345(18) . ?
C15 C16 1.39(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.38(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.35(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.36(2) . ?
C18 H18 0.9500 . ?
C19 N3 1.374(19) . ?
C19 C20 1.46(2) . ?
C20 N4 1.359(19) . ?
C20 C21 1.417(19) . ?
C21 C22 1.38(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.35(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.36(2) . ?
C23 H23 0.9500 . ?
C24 N4 1.341(18) . ?
C24 H24 0.9500 . ?
N1 Pt1 1.966(10) . ?
N2 Pt1 2.009(11) . ?
N3 Pt2 1.969(12) . ?
N4 Pt2 1.986(11) . ?
O1 Pt1 1.993(9) . ?
O3 Pt1 2.041(8) . ?
O4 Pt2 2.005(9) . ?
O5 Pt2 1.991(9) . ?
O1S H1SA 0.8700 . ?
O1S H1SB 0.8699 . ?
O2SA H2SA 0.8703 . ?
O2SA H2SB 0.8698 . ?
O2SB H2SC 0.9620 . ?
O2SB H2SD 1.1217 . ?
O3S H3SA 0.8698 . ?
O3S H3SB 0.8698 . ?
O4S H4SA 0.8699 . ?
O4S H4SB 0.8701 . ?
O5S H5SA 0.8700 . ?
O5S H5SB 0.8699 . ?
O6S H6SA 0.8699 . ?
O6S H6SB 0.8700 . ?
O7S H7SA 0.8699 . ?
O7S H7SB 0.8702 . ?
O8S H8SA 0.8699 . ?
O8S H8SB 0.8700 . ?
O9S H9SA 0.8698 . ?
O9S H9SB 0.8699 . ?
O10S H10A 0.8700 . ?
O10S H10B 0.8699 . ?
O12S H12A 0.8702 . ?
O12S H12B 0.8700 . ?
O12S H12A 0.8701 2_655 ?
O12S H12B 0.8700 2_655 ?
O13S H13A 0.8699 . ?
O13S H13B 0.8703 . ?

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
H11A O11S H11B 111.0 . . ?
O2 C1 O1 121.9(13) . . ?
O2 C1 C2 121.2(13) . . ?
O1 C1 C2 116.8(12) . . ?
O3 C2 C1 111.3(11) . . ?
O3 C2 C3 110.6(10) . . ?
C1 C2 C3 111.9(11) . . ?
O3 C2 H2 107.6 . . ?
C1 C2 H2 107.6 . . ?
C3 C2 H2 107.6 . . ?
O4 C3 C4 113.6(11) . . ?
O4 C3 C2 110.5(11) . . ?
C4 C3 C2 107.2(10) . . ?
O4 C3 H3 108.4 . . ?
C4 C3 H3 108.4 . . ?
C2 C3 H3 108.4 . . ?
O6 C4 O5 121.3(13) . . ?
O6 C4 C3 122.3(14) . . ?
O5 C4 C3 116.4(13) . . ?
N1 C5 C6 118.6(15) . . ?
N1 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C7 C6 C5 121.5(16) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C8 120.5(16) . . ?
C6 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C9 C8 C7 118.2(17) . . ?
C9 C8 H8 120.9 . . ?
C7 C8 H8 120.9 . . ?
N1 C9 C8 121.6(15) . . ?
N1 C9 C10 112.7(11) . . ?
C8 C9 C10 125.7(15) . . ?
N2 C10 C11 119.7(14) . . ?
N2 C10 C9 113.9(12) . . ?
C11 C10 C9 126.3(13) . . ?
C12 C11 C10 121.5(15) . . ?
C12 C11 H11 119.2 . . ?
C10 C11 H11 119.2 . . ?
C11 C12 C13 117.2(16) . . ?
C11 C12 H12 121.4 . . ?
C13 C12 H12 121.4 . . ?
C14 C13 C12 121.1(15) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 N2 121.9(13) . . ?
C13 C14 H14 119.1 . . ?
N2 C14 H14 119.1 . . ?
N3 C15 C16 121.8(15) . . ?
N3 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 118.5(16) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C18 C17 C16 119.7(17) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 120.6(16) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C18 C19 N3 121.5(14) . . ?
C18 C19 C20 124.7(15) . . ?
N3 C19 C20 113.8(13) . . ?
N4 C20 C21 120.6(14) . . ?
N4 C20 C19 114.1(13) . . ?
C21 C20 C19 125.3(15) . . ?
C22 C21 C20 117.5(15) . . ?
C22 C21 H21 121.2 . . ?
C20 C21 H21 121.2 . . ?
C23 C22 C21 120.2(15) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 121.1(16) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.4 . . ?
N4 C24 C23 120.8(16) . . ?
N4 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C9 N1 C5 119.4(12) . . ?
C9 N1 Pt1 117.3(9) . . ?
C5 N1 Pt1 123.2(10) . . ?
C14 N2 C10 118.5(11) . . ?
C14 N2 Pt1 126.1(8) . . ?
C10 N2 Pt1 115.4(9) . . ?
C15 N3 C19 117.9(13) . . ?
C15 N3 Pt2 126.4(11) . . ?
C19 N3 Pt2 115.7(9) . . ?
C24 N4 C20 119.8(12) . . ?
C24 N4 Pt2 124.7(10) . . ?
C20 N4 Pt2 115.5(9) . . ?
C1 O1 Pt1 116.5(9) . . ?
C2 O3 Pt1 111.6(7) . . ?
C3 O4 Pt2 112.8(7) . . ?
C4 O5 Pt2 114.6(9) . . ?
H1SA O1S H1SB 109.5 . . ?
H2SA O2SA H2SB 109.5 . . ?
H2SC O2SB H2SD 79.0 . . ?
H3SA O3S H3SB 109.5 . . ?
H4SA O4S H4SB 109.5 . . ?
H5SA O5S H5SB 109.5 . . ?
H6SA O6S H6SB 109.5 . . ?
H7SA O7S H7SB 109.5 . . ?
H8SA O8S H8SB 109.5 . . ?
H9SA O9S H9SB 109.5 . . ?
H10A O10S H10B 109.5 . . ?
H12A O12S H12B 109.5 . . ?
H12A O12S H12A 111.6 . 2_655 ?
H12B O12S H12A 96.8 . 2_655 ?
H12A O12S H12B 96.8 . 2_655 ?
H12B O12S H12B 132.7 . 2_655 ?
H12A O12S H12B 109.5 2_655 2_655 ?
H13A O13S H13B 109.5 . . ?
N1 Pt1 O1 94.4(4) . . ?
N1 Pt1 N2 80.2(5) . . ?
O1 Pt1 N2 174.5(4) . . ?
N1 Pt1 O3 174.6(4) . . ?
O1 Pt1 O3 82.0(3) . . ?
N2 Pt1 O3 103.4(4) . . ?
N3 Pt2 N4 80.9(5) . . ?
N3 Pt2 O5 177.4(4) . . ?
N4 Pt2 O5 96.7(4) . . ?
N3 Pt2 O4 99.9(4) . . ?
N4 Pt2 O4 178.0(4) . . ?
O5 Pt2 O4 82.5(4) . . ?

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
O13S H13B O8S 0.87 1.92 2.74(3) 155.4 4
O13S H13A O1S 0.87 1.84 2.71(4) 178.8 .
O12S H12A O9S 0.87 2.69 3.466(18) 149.0 .
O12S H12B O3S 0.87 1.85 2.69(2) 162.8 3_545
O11S H11B O2 0.86 2.64 3.12(2) 116.2 8_556
O11S H11B O1 0.86 2.29 3.13(2) 164.6 8_556
O11S H11A O9S 0.87 1.72 2.56(3) 165.0 .
O10S H10B O6S 0.87 2.15 3.01(3) 169.9 6_566
O10S H10A O11S 0.87 1.87 2.70(3) 158.8 3_455
O9S H9SA O7S 0.87 2.49 3.34(2) 167.4 .
O8S H8SB O7S 0.87 2.21 2.926(17) 139.6 4_545
O8S H8SA O6 0.87 2.10 2.898(19) 153.2 .
O8S H8SA O5 0.87 2.59 3.359(19) 147.5 .
O7S H7SA O5S 0.87 1.90 2.77(3) 172.4 .
O6S H6SB O8S 0.87 2.12 2.94(3) 156.8 4
O6S H6SA O5S 0.87 1.98 2.85(2) 178.7 .
O5S H5SB O6 0.87 2.29 2.98(2) 136.4 .
O5S H5SB O2 0.87 2.61 3.19(2) 125.3 .
O5S H5SA O4S 0.87 2.00 2.82(3) 156.7 .
O4S H4SA O3S 0.87 2.06 2.93(4) 178.0 4_545
O3S H3SB O10S 0.87 1.97 2.84(4) 175.5 .
O3S H3SA O13S 0.87 2.61 3.24(3) 129.6 .
O3S H3SA O2SB 0.87 2.18 2.88(5) 137.3 .
O3S H3SA O2SA 0.87 1.96 2.78(4) 156.6 .
O2SB H2SD O4 1.12 1.80 2.72(4) 135.2 .
O2SB H2SC O2SB 0.96 2.07 2.56(9) 110.0 2
O2SA H2SB O4 0.87 1.91 2.75(4) 161.3 .
O2SA H2SA O2SA 0.87 2.28 3.00(7) 139.4 2
O1S H1SB O2 0.87 2.04 2.809(19) 147.4 .
O1S H1SA O10S 0.87 1.96 2.80(2) 163.6 2
C24 H24 O5 0.95 2.57 3.108(17) 116.1 .
C21 H21 O7S 0.95 2.52 3.45(2) 165.4 7_556
C18 H18 O7S 0.95 2.41 3.33(2) 165.3 7_556
C15 H15 O2SB 0.95 2.53 3.48(4) 173.5 .
C14 H14 O3 0.95 2.34 3.275(15) 167.8 2
C6 H6 O9S 0.95 2.53 3.19(3) 127.6 8_455
C5 H5 O1 0.95 2.46 2.991(18) 115.5 .
C2 H2 O4 1.00 2.63 3.375(17) 131.7 2

_refine_diff_density_max         5.030
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.254

_vrf_PLAT430_2_125H2O            
; PROBLEM: A Short 
Inter D...A Contact O3 .. O3 .. 2.43 Ang. 
RESPONSE: The alert originates mainly
from a missed hydrogen bond. However, there 
is no hydrogen bond between O3 atoms due to 
that O3 atoms correspond to deprotonated 
hydroxyl atoms, and the contact between
O3 atoms were intermolecular contact 
between O3 
and its equivalent via a twofold axis.
;

_vrf_PLAT971_2_125H2O            
; PROBLEM: Check Calcd Residual Density 
0.87A From Pt2 4.94 eA-3
RESPONSE: The alert was mainly due to there 
is q peak that not assigned to any element. 
However, when the observed closely 
the electron density appears 
to be around near to the metal centres, 
such residual density 
is likely not from unaccounted atom types.
;

_vrf_PLAT973_2_125H2O            
; PROBLEM: Check Calcd Positive Residual 
Density on Pt1 2.56 eA-3
RESPONSE: The atom type is correct. 
The large residual density near Pt atoms may be 
due to an anomalous dispersion effect 
and has no chemical significance. 
;


####################################################################### 
# 
# 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_1a
_database_code_depnum_ccdc_archive 'CCDC 1502815'
_audit_update_record             
;
2017-05-16 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H30 N4 O12 Pt2'
_chemical_formula_weight         956.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   10.6927(8)
_cell_length_b                   18.9465(14)
_cell_length_c                   21.1599(16)
_cell_angle_alpha                90
_cell_angle_beta                 92.9650(10)
_cell_angle_gamma                90
_cell_volume                     4281.0(6)
_cell_formula_units_Z            6
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9919
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      28.26

_exptl_crystal_description       needke
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.227
_exptl_crystal_F_000             2724
_exptl_transmission_factor_min   0.5667
_exptl_transmission_factor_max   0.8621
_exptl_crystal_size_max          0.082
_exptl_crystal_size_mid          0.031
_exptl_crystal_size_min          0.023
_exptl_absorpt_coefficient_mu    9.862
_shelx_estimated_absorpt_T_min   0.499
_shelx_estimated_absorpt_T_max   0.805
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS-2014/2 - Bruker 2014'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            44724
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         0.964
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_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 0.997
_reflns_number_total             16712
_reflns_number_gt                15247
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.930
_reflns_Friedel_fraction_max     0.990
_reflns_Friedel_fraction_full    0.994

_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       'Bruker APEX2 (Bruker 2014)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2014)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'XCIF (Bruker, 2014)'
_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)+(0.0203P)²+0.5923P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 6783 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.005(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         16712
_refine_ls_number_parameters     1151
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0247
_refine_ls_wR_factor_ref         0.0538
_refine_ls_wR_factor_gt          0.0520
_refine_ls_goodness_of_fit_ref   0.934
_refine_ls_restrained_S_all      0.939
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.001

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.20032(4) -0.07115(2) 0.24887(2) 0.02739(9) Uani 1 1 d . . . . .
Pt2 Pt 0.37472(4) 0.08174(2) 0.28123(2) 0.02524(9) Uani 1 1 d . . . . .
Pt3 Pt 0.33544(4) 0.26103(2) 0.28148(2) 0.02844(10) Uani 1 1 d . . . . .
Pt4 Pt 0.33661(3) 0.41918(2) 0.20307(2) 0.02221(9) Uani 1 1 d . . . . .
Pt5 Pt 0.34862(3) 0.58932(2) 0.20458(2) 0.02189(9) Uani 1 1 d . . . . .
Pt6 Pt 0.26154(4) 0.74849(2) 0.26445(2) 0.02535(9) Uani 1 1 d . . . . .
C1 C 0.1928(11) -0.0346(5) 0.1206(5) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.3292(9) -0.0307(5) 0.1426(4) 0.030(2) Uani 1 1 d . . . . .
H2 H 0.380958 -0.051024 0.109007 0.036 Uiso 1 1 calc R U . . .
C3 C 0.3633(10) 0.0486(5) 0.1516(4) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.351128 0.072834 0.109745 0.037 Uiso 1 1 calc R U . . .
C4 C 0.5018(11) 0.0515(5) 0.1722(5) 0.035(2) Uani 1 1 d . . . . .
C5 C -0.0673(10) -0.0675(6) 0.2769(5) 0.040(3) Uani 1 1 d . . . . .
H5 H -0.082913 -0.059973 0.232779 0.048 Uiso 1 1 calc R U . . .
C6 C -0.1689(11) -0.0707(7) 0.3160(6) 0.048(3) Uani 1 1 d . . . . .
H6 H -0.252179 -0.066960 0.298368 0.058 Uiso 1 1 calc R U . . .
C7 C -0.1473(12) -0.0792(7) 0.3800(6) 0.054(3) Uani 1 1 d . . . . .
H7 H -0.215067 -0.080327 0.407293 0.065 Uiso 1 1 calc R U . . .
C8 C -0.0251(11) -0.0862(6) 0.4042(6) 0.046(3) Uani 1 1 d . . . . .
H8 H -0.007774 -0.092477 0.448306 0.055 Uiso 1 1 calc R U . . .
C9 C 0.0709(10) -0.0840(6) 0.3634(5) 0.037(3) Uani 1 1 d . . . . .
C10 C 0.2035(10) -0.0916(5) 0.3828(5) 0.033(2) Uani 1 1 d . . . . .
C11 C 0.2526(12) -0.1017(6) 0.4445(5) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.197985 -0.104288 0.478398 0.054 Uiso 1 1 calc R U . . .
C12 C 0.3778(12) -0.1077(6) 0.4562(6) 0.048(3) Uani 1 1 d . . . . .
H12 H 0.411172 -0.114047 0.498291 0.058 Uiso 1 1 calc R U . . .
C13 C 0.4584(11) -0.1047(6) 0.4056(5) 0.042(3) Uani 1 1 d . . . . .
H13 H 0.546265 -0.110393 0.412604 0.050 Uiso 1 1 calc R U . . .
C14 C 0.4061(10) -0.0932(5) 0.3465(5) 0.034(2) Uani 1 1 d . . . . .
H14 H 0.459645 -0.089597 0.312192 0.041 Uiso 1 1 calc R U . . .
C15 C 0.1089(10) 0.1007(6) 0.3116(5) 0.031(2) Uani 1 1 d . . . . .
H15 H 0.092377 0.100471 0.267005 0.037 Uiso 1 1 calc R U . . .
C16 C 0.0104(10) 0.1088(6) 0.3502(5) 0.037(3) Uani 1 1 d . . . . .
H16 H -0.072794 0.114191 0.332862 0.044 Uiso 1 1 calc R U . . .
C17 C 0.0356(11) 0.1087(6) 0.4142(5) 0.046(3) Uani 1 1 d . . . . .
H17 H -0.030679 0.113849 0.442023 0.055 Uiso 1 1 calc R U . . .
C18 C 0.1576(10) 0.1013(6) 0.4383(5) 0.040(3) Uani 1 1 d . . . . .
H18 H 0.175644 0.101426 0.482787 0.048 Uiso 1 1 calc R U . . .
C19 C 0.2538(9) 0.0936(6) 0.3969(4) 0.029(2) Uani 1 1 d . . . . .
C20 C 0.3860(9) 0.0843(5) 0.4164(4) 0.029(2) Uani 1 1 d . . . . .
C21 C 0.4332(10) 0.0777(6) 0.4784(5) 0.037(2) Uani 1 1 d . . . . .
H21 H 0.379176 0.079378 0.512627 0.044 Uiso 1 1 calc R U . . .
C22 C 0.5613(12) 0.0687(6) 0.4892(5) 0.047(3) Uani 1 1 d . . . . .
H22 H 0.596695 0.065980 0.531267 0.056 Uiso 1 1 calc R U . . .
C23 C 0.6360(10) 0.0636(6) 0.4392(5) 0.041(3) Uani 1 1 d . . . . .
H23 H 0.723491 0.055919 0.445929 0.049 Uiso 1 1 calc R U . . .
C24 C 0.5829(9) 0.0699(5) 0.3788(5) 0.033(2) Uani 1 1 d . . . . .
H24 H 0.635525 0.067341 0.344044 0.040 Uiso 1 1 calc R U . . .
C25 C 0.1196(10) 0.3030(6) 0.3386(5) 0.036(2) Uani 1 1 d . . . . .
C26 C 0.0904(10) 0.3126(5) 0.2680(5) 0.034(2) Uani 1 1 d . . . . .
H26 H 0.002591 0.296766 0.257444 0.041 Uiso 1 1 calc R U . . .
C27 C 0.1014(9) 0.3926(5) 0.2526(5) 0.028(2) Uani 1 1 d . . . . .
H27 H 0.035333 0.418867 0.274698 0.034 Uiso 1 1 calc R U . . .
C28 C 0.0783(9) 0.4013(5) 0.1816(5) 0.028(2) Uani 1 1 d . . . . .
C29 C 0.5182(10) 0.2524(6) 0.3919(5) 0.036(2) Uani 1 1 d . . . . .
H29 H 0.446819 0.255749 0.416710 0.043 Uiso 1 1 calc R U . . .
C30 C 0.6351(10) 0.2493(6) 0.4225(5) 0.043(3) Uani 1 1 d . . . . .
H30 H 0.645183 0.252023 0.467296 0.052 Uiso 1 1 calc R U . . .
C31 C 0.7377(10) 0.2422(6) 0.3853(5) 0.043(3) Uani 1 1 d . . . . .
H31 H 0.819703 0.238807 0.404513 0.051 Uiso 1 1 calc R U . . .
C32 C 0.7199(10) 0.2399(6) 0.3200(5) 0.041(3) Uani 1 1 d . . . . .
H32 H 0.789799 0.235764 0.294321 0.049 Uiso 1 1 calc R U . . .
C33 C 0.6014(10) 0.2438(6) 0.2928(5) 0.033(2) Uani 1 1 d . . . . .
C34 C 0.5681(10) 0.2414(5) 0.2248(5) 0.030(2) Uani 1 1 d . . . . .
C35 C 0.6544(11) 0.2330(5) 0.1785(5) 0.038(3) Uani 1 1 d . . . . .
H35 H 0.741367 0.229439 0.189726 0.046 Uiso 1 1 calc R U . . .
C36 C 0.6105(12) 0.2299(6) 0.1150(5) 0.045(3) Uani 1 1 d . . . . .
H36 H 0.667238 0.224382 0.082223 0.055 Uiso 1 1 calc R U . . .
C37 C 0.4832(12) 0.2349(6) 0.1009(5) 0.044(3) Uani 1 1 d . . . . .
H37 H 0.451260 0.231822 0.058212 0.052 Uiso 1 1 calc R U . . .
C38 C 0.4036(12) 0.2444(6) 0.1486(5) 0.040(3) Uani 1 1 d . . . . .
H38 H 0.316434 0.249387 0.138673 0.048 Uiso 1 1 calc R U . . .
C39 C 0.5115(9) 0.4278(6) 0.3157(5) 0.030(2) Uani 1 1 d . . . . .
H39 H 0.438989 0.427703 0.339801 0.037 Uiso 1 1 calc R U . . .
C40 C 0.6312(9) 0.4318(6) 0.3462(5) 0.033(2) Uani 1 1 d . . . . .
H40 H 0.640040 0.435308 0.390998 0.039 Uiso 1 1 calc R U . . .
C41 C 0.7358(9) 0.4305(6) 0.3108(5) 0.038(2) Uani 1 1 d . . . . .
H41 H 0.816842 0.431805 0.331328 0.046 Uiso 1 1 calc R U . . .
C42 C 0.7235(9) 0.4274(6) 0.2466(5) 0.035(2) Uani 1 1 d . . . . .
H42 H 0.795246 0.427235 0.221943 0.042 Uiso 1 1 calc R U . . .
C43 C 0.6038(9) 0.4246(6) 0.2179(5) 0.029(2) Uani 1 1 d . . . . .
C44 C 0.5750(8) 0.4222(5) 0.1491(4) 0.026(2) Uani 1 1 d . . . . .
C45 C 0.6634(9) 0.4225(6) 0.1032(4) 0.034(2) Uani 1 1 d . . . . .
H45 H 0.750058 0.425168 0.115379 0.041 Uiso 1 1 calc R U . . .
C46 C 0.6262(10) 0.4189(6) 0.0414(5) 0.041(3) Uani 1 1 d . . . . .
H46 H 0.686414 0.420226 0.009927 0.049 Uiso 1 1 calc R U . . .
C47 C 0.4984(10) 0.4132(6) 0.0238(5) 0.043(3) Uani 1 1 d . . . . .
H47 H 0.470940 0.409002 -0.019488 0.051 Uiso 1 1 calc R U . . .
C48 C 0.4135(9) 0.4139(6) 0.0707(4) 0.032(2) Uani 1 1 d . . . . .
H48 H 0.326507 0.410955 0.059333 0.039 Uiso 1 1 calc R U . . .
C49 C 0.5851(9) 0.6086(5) 0.2665(5) 0.024(2) Uani 1 1 d . . . . .
C50 C 0.4898(9) 0.6230(5) 0.3160(4) 0.024(2) Uani 1 1 d . . . . .
H50 H 0.521144 0.600957 0.356686 0.029 Uiso 1 1 calc R U . . .
C51 C 0.4850(9) 0.7050(5) 0.3260(4) 0.026(2) Uani 1 1 d . . . . .
H51 H 0.570564 0.721422 0.340438 0.031 Uiso 1 1 calc R U . . .
C52 C 0.3972(9) 0.7202(5) 0.3775(5) 0.026(2) Uani 1 1 d . . . . .
C53 C 0.4194(9) 0.5886(6) 0.0717(5) 0.035(2) Uani 1 1 d . . . . .
H53 H 0.503451 0.591367 0.088399 0.042 Uiso 1 1 calc R U . . .
C54 C 0.3952(11) 0.5871(6) 0.0065(5) 0.041(3) Uani 1 1 d . . . . .
H54 H 0.462604 0.589079 -0.020957 0.049 Uiso 1 1 calc R U . . .
C55 C 0.2738(12) 0.5828(7) -0.0184(5) 0.050(3) Uani 1 1 d . . . . .
H55 H 0.256632 0.581410 -0.062887 0.060 Uiso 1 1 calc R U . . .
C56 C 0.1788(10) 0.5804(6) 0.0222(5) 0.040(3) Uani 1 1 d . . . . .
H56 H 0.094454 0.577390 0.005906 0.048 Uiso 1 1 calc R U . . .
C57 C 0.2049(10) 0.5825(6) 0.0872(5) 0.034(2) Uani 1 1 d . . . . .
C58 C 0.1115(9) 0.5817(6) 0.1362(5) 0.031(2) Uani 1 1 d . . . . .
C59 C -0.0146(10) 0.5792(6) 0.1248(5) 0.040(3) Uani 1 1 d . . . . .
H59 H -0.049663 0.578545 0.082585 0.048 Uiso 1 1 calc R U . . .
C60 C -0.0925(10) 0.5777(6) 0.1765(5) 0.037(2) Uani 1 1 d . . . . .
H60 H -0.180927 0.575937 0.169250 0.045 Uiso 1 1 calc R U . . .
C61 C -0.0419(9) 0.5788(6) 0.2360(5) 0.035(2) Uani 1 1 d . . . . .
H61 H -0.093608 0.576404 0.271135 0.042 Uiso 1 1 calc R U . . .
C62 C 0.0893(9) 0.5834(6) 0.2454(5) 0.026(2) Uani 1 1 d . . . . .
H62 H 0.125968 0.586069 0.287187 0.032 Uiso 1 1 calc R U . . .
C63 C 0.3322(11) 0.7614(6) 0.1316(5) 0.043(3) Uani 1 1 d . . . . .
H63 H 0.415656 0.754003 0.147913 0.051 Uiso 1 1 calc R U . . .
C64 C 0.3099(14) 0.7730(6) 0.0678(5) 0.052(3) Uani 1 1 d . . . . .
H64 H 0.378112 0.776105 0.040878 0.062 Uiso 1 1 calc R U . . .
C65 C 0.1894(15) 0.7800(7) 0.0429(6) 0.062(4) Uani 1 1 d . . . . .
H65 H 0.173436 0.786848 -0.001272 0.075 Uiso 1 1 calc R U . . .
C66 C 0.0888(14) 0.7768(6) 0.0842(6) 0.056(4) Uani 1 1 d . . . . .
H66 H 0.004247 0.780418 0.068342 0.067 Uiso 1 1 calc R U . . .
C67 C 0.1184(11) 0.7682(6) 0.1488(5) 0.037(3) Uani 1 1 d . . . . .
C68 C 0.0250(10) 0.7632(6) 0.1975(5) 0.036(2) Uani 1 1 d . . . . .
C69 C -0.1055(11) 0.7653(6) 0.1854(6) 0.050(3) Uani 1 1 d . . . . .
H69 H -0.140495 0.771184 0.143569 0.060 Uiso 1 1 calc R U . . .
C70 C -0.1788(11) 0.7590(7) 0.2342(7) 0.055(4) Uani 1 1 d . . . . .
H70 H -0.267142 0.759889 0.226761 0.066 Uiso 1 1 calc R U . . .
C71 C -0.1282(10) 0.7510(6) 0.2957(6) 0.045(3) Uani 1 1 d . . . . .
H71 H -0.181022 0.746955 0.330302 0.054 Uiso 1 1 calc R U . . .
C72 C -0.0005(10) 0.7492(6) 0.3053(6) 0.040(3) Uani 1 1 d . . . . .
H72 H 0.034833 0.743964 0.347205 0.048 Uiso 1 1 calc R U . . .
N1 N 0.0474(8) -0.0744(5) 0.2991(4) 0.0326(19) Uani 1 1 d . . . . .
N2 N 0.2809(8) -0.0866(4) 0.3344(4) 0.0271(19) Uani 1 1 d . . . . .
N3 N 0.2271(8) 0.0933(4) 0.3343(4) 0.0263(18) Uani 1 1 d . . . . .
N4 N 0.4606(7) 0.0794(5) 0.3673(4) 0.0267(17) Uani 1 1 d . . . . .
N5 N 0.5009(7) 0.2509(5) 0.3289(4) 0.0297(19) Uani 1 1 d . . . . .
N6 N 0.4462(8) 0.2467(4) 0.2092(4) 0.0296(19) Uani 1 1 d . . . . .
N7 N 0.5003(7) 0.4240(4) 0.2515(3) 0.0213(16) Uani 1 1 d . . . . .
N8 N 0.4514(6) 0.4185(4) 0.1322(3) 0.0230(17) Uani 1 1 d . . . . .
N9 N 0.3252(7) 0.5863(4) 0.1113(4) 0.0268(17) Uani 1 1 d . . . . .
N10 N 0.1632(7) 0.5841(4) 0.1958(4) 0.0233(17) Uani 1 1 d . . . . .
N11 N 0.2373(8) 0.7605(5) 0.1716(4) 0.0304(19) Uani 1 1 d . . . . .
N12 N 0.0760(8) 0.7545(5) 0.2572(4) 0.0325(19) Uani 1 1 d . . . . .
O1 O 0.1150(7) -0.0548(4) 0.1626(3) 0.0338(18) Uani 1 1 d . . . . .
O2 O 0.1568(7) -0.0193(4) 0.0658(3) 0.046(2) Uani 1 1 d . . . . .
O3 O 0.3546(6) -0.0682(4) 0.1994(3) 0.0295(16) Uani 1 1 d . . . . .
O4 O 0.2876(6) 0.0818(4) 0.1947(3) 0.0279(15) Uani 1 1 d . . . . .
O5 O 0.5275(6) 0.0691(4) 0.2314(3) 0.0341(17) Uani 1 1 d . . . . .
O6 O 0.5839(7) 0.0359(4) 0.1359(3) 0.0435(19) Uani 1 1 d . . . . .
O7 O 0.2277(7) 0.2775(4) 0.3555(3) 0.0374(18) Uani 1 1 d . . . . .
O8 O 0.0413(7) 0.3212(4) 0.3771(3) 0.047(2) Uani 1 1 d . . . . .
O9 O 0.1730(6) 0.2717(4) 0.2330(3) 0.0328(17) Uani 1 1 d . . . . .
O10 O 0.2178(6) 0.4181(4) 0.2731(3) 0.0257(15) Uani 1 1 d . . . . .
O11 O 0.1763(6) 0.4146(4) 0.1500(3) 0.0278(16) Uani 1 1 d . . . . .
O12 O -0.0260(6) 0.3944(4) 0.1557(3) 0.0410(19) Uani 1 1 d . . . . .
O13 O 0.5372(6) 0.5931(4) 0.2100(3) 0.0288(16) Uani 1 1 d . . . . .
O14 O 0.6969(6) 0.6125(4) 0.2787(3) 0.0393(18) Uani 1 1 d . . . . .
O15 O 0.3716(6) 0.5945(4) 0.2995(3) 0.0238(15) Uani 1 1 d . . . . .
O16 O 0.4499(6) 0.7401(4) 0.2693(3) 0.0294(16) Uani 1 1 d . . . . .
O17 O 0.2838(6) 0.7391(4) 0.3596(3) 0.0275(15) Uani 1 1 d . . . . .
O18 O 0.4303(7) 0.7124(4) 0.4342(3) 0.0398(18) Uani 1 1 d . . . . .
O19B O 0.373(3) 0.234(3) 0.931(2) 0.35(4) Uani 0.5 1 d . . P A 1
H19A H 0.312428 0.254782 0.949995 0.524 Uiso 0.5 1 d R U P A 1
H19B H 0.359199 0.189322 0.928494 0.524 Uiso 0.5 1 d R U P A 1
O18B O 0.172(3) 0.2132(10) 0.0192(9) 0.115(10) Uani 0.5 1 d . . P B 2
H18A H 0.252816 0.210596 0.016934 0.173 Uiso 0.5 1 d R U P B 2
H18B H 0.149836 0.191866 0.053294 0.173 Uiso 0.5 1 d R U P B 2
O1S O 0.2541(6) 0.5044(4) 0.3723(3) 0.0332(15) Uani 1 1 d . . . . .
H1SA H 0.192431 0.529152 0.385981 0.050 Uiso 1 1 d R U . . .
H1SB H 0.225590 0.475142 0.343361 0.050 Uiso 1 1 d R U . . .
O2S O 0.1130(8) 0.1687(4) 0.1510(4) 0.057(2) Uani 1 1 d . . . . .
H2SA H 0.170770 0.139635 0.165371 0.086 Uiso 1 1 d R U . . .
H2SB H 0.117440 0.207645 0.172801 0.086 Uiso 1 1 d R U . . .
O3S O 0.7849(7) 0.6050(5) 0.4002(4) 0.058(3) Uani 1 1 d . . . . .
H3SA H 0.859922 0.587859 0.406931 0.086 Uiso 1 1 d R U . . .
H3SB H 0.770801 0.612419 0.359861 0.086 Uiso 1 1 d R U . . .
O4S O 0.9312(8) 0.4386(5) 0.4400(3) 0.057(2) Uani 1 1 d . . . . .
H4SA H 0.990185 0.413390 0.424443 0.085 Uiso 1 1 d R U . . .
H4SB H 0.858616 0.420700 0.428513 0.085 Uiso 1 1 d R U . . .
O5S O 0.5606(7) 0.8538(4) 0.2200(4) 0.057(2) Uani 1 1 d . . . . .
H5SA H 0.528845 0.811642 0.216466 0.086 Uiso 1 1 d R U . . .
H5SB H 0.507605 0.884392 0.203676 0.086 Uiso 1 1 d R U . . .
O6S O 0.9317(9) 0.7803(5) 0.4960(4) 0.063(2) Uani 1 1 d . . . . .
H6SA H 0.856533 0.784456 0.478669 0.094 Uiso 1 1 d R U . . .
H6SB H 0.940775 0.809176 0.527868 0.094 Uiso 1 1 d R U . . .
O7S O 0.0498(8) 0.5711(5) 0.4181(4) 0.066(3) Uani 1 1 d . . . . .
H7SA H 0.071385 0.590648 0.454234 0.099 Uiso 1 1 d R U . . .
H7SB H 0.010335 0.531808 0.424634 0.099 Uiso 1 1 d R U . . .
O8S O 0.6957(9) 0.7279(5) 0.4558(5) 0.078(3) Uani 1 1 d . . . . .
H8SA H 0.705449 0.690342 0.432828 0.117 Uiso 1 1 d R U . . .
H8SB H 0.655679 0.759851 0.433198 0.117 Uiso 1 1 d R U . . .
O9S O 0.1303(8) 0.6977(5) 0.4686(4) 0.065(3) Uani 1 1 d . . . . .
H9SA H 0.064388 0.724694 0.465976 0.098 Uiso 1 1 d R U . . .
H9SB H 0.170068 0.700974 0.433906 0.098 Uiso 1 1 d R U . . .
O10S O 0.0991(10) 0.7593(6) 0.8947(5) 0.101(4) Uani 1 1 d . . . . .
H10A H 0.077496 0.800461 0.879700 0.152 Uiso 1 1 d R U . . .
H10B H 0.041736 0.728451 0.883680 0.152 Uiso 1 1 d R U . . .
O11S O 0.7344(10) 0.9154(6) 0.1453(6) 0.118(5) Uani 1 1 d . . . . .
H11A H 0.692794 0.881938 0.162929 0.177 Uiso 1 1 d R U . . .
H11B H 0.692773 0.954778 0.146979 0.177 Uiso 1 1 d R U . . .
O12S O 0.7920(8) 0.0953(5) 0.2447(4) 0.065(3) Uani 1 1 d . . . . .
H12A H 0.711784 0.087659 0.240948 0.098 Uiso 1 1 d R U . . .
H12B H 0.826095 0.083649 0.209778 0.098 Uiso 1 1 d R U . . .
O13S O 0.9296(8) 0.0639(5) 0.1417(5) 0.071(3) Uani 1 1 d . . . . .
H13A H 0.977638 0.100459 0.137538 0.106 Uiso 1 1 d R U . . .
H13B H 0.975708 0.026579 0.148918 0.106 Uiso 1 1 d R U . . .
O14S O 1.0172(10) 0.4159(7) 0.0173(4) 0.101(4) Uani 1 1 d . . . . .
H14A H 1.024478 0.411964 0.058322 0.151 Uiso 1 1 d R U . . .
H14B H 0.946183 0.397755 0.003502 0.151 Uiso 1 1 d R U . . .
O15S O 0.3278(14) 0.3991(7) 0.4658(6) 0.097(4) Uani 1 1 d . . . . .
H15A H 0.244(19) 0.377(10) 0.464(10) 0.146 Uiso 1 1 d . U . . .
H15B H 0.34(2) 0.423(12) 0.441(10) 0.146 Uiso 1 1 d . U . . .
O16S O 0.2686(13) 0.0837(8) 0.9792(6) 0.133(5) Uani 1 1 d . . . . .
H16A H 0.226726 0.123138 0.977086 0.199 Uiso 1 1 d R U . . .
H16B H 0.225316 0.051938 0.998116 0.199 Uiso 1 1 d R U . . .
O17S O 0.7963(12) 0.8447(8) 0.0324(7) 0.140(6) Uani 1 1 d . . . . .
H17A H 0.857599 0.867055 0.015670 0.210 Uiso 1 1 d R U . . .
H17B H 0.764478 0.871226 0.061040 0.210 Uiso 1 1 d R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 1.986(8) . ?
Pt1 N1 1.997(8) . ?
Pt1 O3 1.999(6) . ?
Pt1 O1 2.021(7) . ?
Pt2 N3 1.996(8) . ?
Pt2 N4 1.997(7) . ?
Pt2 O5 2.005(7) . ?
Pt2 O4 2.012(6) . ?
Pt3 O9 1.981(7) . ?
Pt3 N5 1.997(8) . ?
Pt3 N6 2.000(8) . ?
Pt3 O7 2.016(7) . ?
Pt4 N7 1.984(7) . ?
Pt4 N8 1.986(7) . ?
Pt4 O10 2.001(6) . ?
Pt4 O11 2.002(6) . ?
Pt4 Pt5 3.2263(5) . ?
Pt5 N9 1.978(8) . ?
Pt5 N10 1.984(7) . ?
Pt5 O15 2.014(6) . ?
Pt5 O13 2.015(6) . ?
Pt6 N11 1.981(8) . ?
Pt6 N12 1.985(8) . ?
Pt6 O16 2.017(7) . ?
Pt6 O17 2.023(6) . ?
C1 O2 1.238(12) . ?
C1 O1 1.306(13) . ?
C1 C2 1.510(15) . ?
C2 O3 1.410(11) . ?
C2 C3 1.556(13) . ?
C2 H2 1.0000 . ?
C3 O4 1.399(12) . ?
C3 C4 1.523(15) . ?
C3 H3 1.0000 . ?
C4 O6 1.232(12) . ?
C4 O5 1.310(12) . ?
C5 N1 1.298(13) . ?
C5 C6 1.401(15) . ?
C5 H5 0.9500 . ?
C6 C7 1.371(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(17) . ?
C7 H7 0.9500 . ?
C8 C9 1.376(15) . ?
C8 H8 0.9500 . ?
C9 N1 1.382(13) . ?
C9 C10 1.462(15) . ?
C10 N2 1.352(12) . ?
C10 C11 1.394(14) . ?
C11 C12 1.354(17) . ?
C11 H11 0.9500 . ?
C12 C13 1.409(17) . ?
C12 H12 0.9500 . ?
C13 C14 1.362(14) . ?
C13 H13 0.9500 . ?
C14 N2 1.355(13) . ?
C14 H14 0.9500 . ?
C15 N3 1.337(13) . ?
C15 C16 1.374(14) . ?
C15 H15 0.9500 . ?
C16 C17 1.367(15) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.392(14) . ?
C18 H18 0.9500 . ?
C19 N3 1.341(11) . ?
C19 C20 1.462(14) . ?
C20 N4 1.345(12) . ?
C20 C21 1.387(13) . ?
C21 C22 1.388(16) . ?
C21 H21 0.9500 . ?
C22 C23 1.361(15) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(14) . ?
C23 H23 0.9500 . ?
C24 N4 1.330(12) . ?
C24 H24 0.9500 . ?
C25 O8 1.247(12) . ?
C25 O7 1.287(12) . ?
C25 C26 1.521(14) . ?
C26 O9 1.411(11) . ?
C26 C27 1.556(14) . ?
C26 H26 1.0000 . ?
C27 O10 1.384(11) . ?
C27 C28 1.518(14) . ?
C27 H27 1.0000 . ?
C28 O12 1.224(11) . ?
C28 O11 1.298(11) . ?
C29 N5 1.337(12) . ?
C29 C30 1.379(15) . ?
C29 H29 0.9500 . ?
C30 C31 1.390(15) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(15) . ?
C31 H31 0.9500 . ?
C32 C33 1.367(15) . ?
C32 H32 0.9500 . ?
C33 N5 1.357(12) . ?
C33 C34 1.465(13) . ?
C34 N6 1.332(13) . ?
C34 C35 1.389(14) . ?
C35 C36 1.403(15) . ?
C35 H35 0.9500 . ?
C36 C37 1.381(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.367(15) . ?
C37 H37 0.9500 . ?
C38 N6 1.338(13) . ?
C38 H38 0.9500 . ?
C39 N7 1.360(12) . ?
C39 C40 1.405(13) . ?
C39 H39 0.9500 . ?
C40 C41 1.378(14) . ?
C40 H40 0.9500 . ?
C41 C42 1.358(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.389(13) . ?
C42 H42 0.9500 . ?
C43 N7 1.346(11) . ?
C43 C44 1.473(13) . ?
C44 N8 1.352(11) . ?
C44 C45 1.391(12) . ?
C45 C46 1.349(14) . ?
C45 H45 0.9500 . ?
C46 C47 1.402(15) . ?
C46 H46 0.9500 . ?
C47 C48 1.380(13) . ?
C47 H47 0.9500 . ?
C48 N8 1.347(12) . ?
C48 H48 0.9500 . ?
C49 O14 1.212(11) . ?
C49 O13 1.310(11) . ?
C49 C50 1.523(13) . ?
C50 O15 1.402(11) . ?
C50 C51 1.568(13) . ?
C50 H50 1.0000 . ?
C51 O16 1.405(11) . ?
C51 C52 1.503(13) . ?
C51 H51 1.0000 . ?
C52 O18 1.241(11) . ?
C52 O17 1.302(11) . ?
C53 N9 1.344(12) . ?
C53 C54 1.390(14) . ?
C53 H53 0.9500 . ?
C54 C55 1.378(16) . ?
C54 H54 0.9500 . ?
C55 C56 1.364(15) . ?
C55 H55 0.9500 . ?
C56 C57 1.391(13) . ?
C56 H56 0.9500 . ?
C57 N9 1.361(12) . ?
C57 C58 1.475(14) . ?
C58 N10 1.352(12) . ?
C58 C59 1.357(14) . ?
C59 C60 1.410(15) . ?
C59 H59 0.9500 . ?
C60 C61 1.346(14) . ?
C60 H60 0.9500 . ?
C61 C62 1.409(13) . ?
C61 H61 0.9500 . ?
C62 N10 1.346(12) . ?
C62 H62 0.9500 . ?
C63 N11 1.355(13) . ?
C63 C64 1.377(15) . ?
C63 H63 0.9500 . ?
C64 C65 1.373(19) . ?
C64 H64 0.9500 . ?
C65 C66 1.421(19) . ?
C65 H65 0.9500 . ?
C66 C67 1.398(15) . ?
C66 H66 0.9500 . ?
C67 N11 1.344(13) . ?
C67 C68 1.474(15) . ?
C68 N12 1.360(13) . ?
C68 C69 1.405(15) . ?
C69 C70 1.333(18) . ?
C69 H69 0.9500 . ?
C70 C71 1.393(17) . ?
C70 H70 0.9500 . ?
C71 C72 1.370(14) . ?
C71 H71 0.9500 . ?
C72 N12 1.344(13) . ?
C72 H72 0.9500 . ?
O19B H19A 0.8701 . ?
O19B H19B 0.8700 . ?
O18B H18A 0.8700 . ?
O18B H18B 0.8698 . ?
O1S H1SA 0.8700 . ?
O1S H1SB 0.8702 . ?
O2S H2SA 0.8703 . ?
O2S H2SB 0.8700 . ?
O3S H3SA 0.8700 . ?
O3S H3SB 0.8700 . ?
O4S H4SA 0.8700 . ?
O4S H4SB 0.8699 . ?
O5S H5SA 0.8699 . ?
O5S H5SB 0.8701 . ?
O6S H6SA 0.8699 . ?
O6S H6SB 0.8698 . ?
O7S H7SA 0.8700 . ?
O7S H7SB 0.8704 . ?
O8S H8SA 0.8700 . ?
O8S H8SB 0.8701 . ?
O9S H9SA 0.8701 . ?
O9S H9SB 0.8697 . ?
O10S H10A 0.8700 . ?
O10S H10B 0.8700 . ?
O11S H11A 0.8701 . ?
O11S H11B 0.8700 . ?
O12S H12A 0.8700 . ?
O12S H12B 0.8698 . ?
O13S H13A 0.8700 . ?
O13S H13B 0.8702 . ?
O14S H14A 0.8700 . ?
O14S H14B 0.8699 . ?
O15S H15A 1.0(2) . ?
O15S H15B 0.7(2) . ?
O16S H16A 0.8701 . ?
O16S H16B 0.8700 . ?
O17S H17A 0.8700 . ?
O17S H17B 0.8700 . ?

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 N1 80.7(3) . . ?
N2 Pt1 O3 98.7(3) . . ?
N1 Pt1 O3 179.4(3) . . ?
N2 Pt1 O1 178.8(3) . . ?
N1 Pt1 O1 98.1(3) . . ?
O3 Pt1 O1 82.5(3) . . ?
N3 Pt2 N4 80.1(3) . . ?
N3 Pt2 O5 177.5(3) . . ?
N4 Pt2 O5 97.4(3) . . ?
N3 Pt2 O4 99.8(3) . . ?
N4 Pt2 O4 178.7(3) . . ?
O5 Pt2 O4 82.6(3) . . ?
O9 Pt3 N5 178.9(3) . . ?
O9 Pt3 N6 99.0(3) . . ?
N5 Pt3 N6 80.0(3) . . ?
O9 Pt3 O7 82.3(3) . . ?
N5 Pt3 O7 98.7(3) . . ?
N6 Pt3 O7 178.3(3) . . ?
N7 Pt4 N8 80.0(3) . . ?
N7 Pt4 O10 101.2(3) . . ?
N8 Pt4 O10 178.5(3) . . ?
N7 Pt4 O11 177.0(3) . . ?
N8 Pt4 O11 96.9(3) . . ?
O10 Pt4 O11 81.8(3) . . ?
N7 Pt4 Pt5 85.1(2) . . ?
N8 Pt4 Pt5 89.3(2) . . ?
O10 Pt4 Pt5 91.7(2) . . ?
O11 Pt4 Pt5 94.7(2) . . ?
N9 Pt5 N10 80.3(3) . . ?
N9 Pt5 O15 178.9(3) . . ?
N10 Pt5 O15 99.5(3) . . ?
N9 Pt5 O13 97.6(3) . . ?
N10 Pt5 O13 177.7(3) . . ?
O15 Pt5 O13 82.6(2) . . ?
N9 Pt5 Pt4 87.6(2) . . ?
N10 Pt5 Pt4 84.9(2) . . ?
O15 Pt5 Pt4 93.50(19) . . ?
O13 Pt5 Pt4 94.3(2) . . ?
N11 Pt6 N12 80.7(4) . . ?
N11 Pt6 O16 98.0(3) . . ?
N12 Pt6 O16 178.0(3) . . ?
N11 Pt6 O17 178.3(3) . . ?
N12 Pt6 O17 98.5(3) . . ?
O16 Pt6 O17 82.9(2) . . ?
O2 C1 O1 121.9(10) . . ?
O2 C1 C2 121.7(9) . . ?
O1 C1 C2 116.3(9) . . ?
O3 C2 C1 112.2(8) . . ?
O3 C2 C3 110.4(8) . . ?
C1 C2 C3 107.5(8) . . ?
O3 C2 H2 108.9 . . ?
C1 C2 H2 108.9 . . ?
C3 C2 H2 108.9 . . ?
O4 C3 C4 112.5(8) . . ?
O4 C3 C2 112.0(8) . . ?
C4 C3 C2 106.8(8) . . ?
O4 C3 H3 108.5 . . ?
C4 C3 H3 108.5 . . ?
C2 C3 H3 108.5 . . ?
O6 C4 O5 122.4(10) . . ?
O6 C4 C3 121.7(10) . . ?
O5 C4 C3 115.9(9) . . ?
N1 C5 C6 121.9(11) . . ?
N1 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C7 C6 C5 119.5(11) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C6 C7 C8 118.9(11) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
C9 C8 C7 119.1(11) . . ?
C9 C8 H8 120.5 . . ?
C7 C8 H8 120.5 . . ?
C8 C9 N1 121.2(10) . . ?
C8 C9 C10 124.4(10) . . ?
N1 C9 C10 114.4(9) . . ?
N2 C10 C11 120.1(10) . . ?
N2 C10 C9 113.8(9) . . ?
C11 C10 C9 126.1(10) . . ?
C12 C11 C10 120.3(11) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 119.7(11) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 117.8(11) . . ?
C14 C13 H13 121.1 . . ?
C12 C13 H13 121.1 . . ?
N2 C14 C13 122.8(10) . . ?
N2 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
N3 C15 C16 122.5(9) . . ?
N3 C15 H15 118.8 . . ?
C16 C15 H15 118.8 . . ?
C17 C16 C15 118.1(10) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
C16 C17 C18 120.0(10) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C19 119.4(10) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
N3 C19 C18 119.8(9) . . ?
N3 C19 C20 115.5(8) . . ?
C18 C19 C20 124.7(9) . . ?
N4 C20 C21 121.5(9) . . ?
N4 C20 C19 113.2(8) . . ?
C21 C20 C19 125.2(9) . . ?
C20 C21 C22 118.4(10) . . ?
C20 C21 H21 120.8 . . ?
C22 C21 H21 120.8 . . ?
C23 C22 C21 119.6(11) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 119.0(10) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
N4 C24 C23 122.4(9) . . ?
N4 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
O8 C25 O7 123.1(10) . . ?
O8 C25 C26 119.9(10) . . ?
O7 C25 C26 117.0(9) . . ?
O9 C26 C25 110.3(8) . . ?
O9 C26 C27 111.6(8) . . ?
C25 C26 C27 107.9(8) . . ?
O9 C26 H26 109.0 . . ?
C25 C26 H26 109.0 . . ?
C27 C26 H26 109.0 . . ?
O10 C27 C28 111.7(8) . . ?
O10 C27 C26 110.5(8) . . ?
C28 C27 C26 107.6(8) . . ?
O10 C27 H27 109.0 . . ?
C28 C27 H27 109.0 . . ?
C26 C27 H27 109.0 . . ?
O12 C28 O11 122.1(9) . . ?
O12 C28 C27 122.0(9) . . ?
O11 C28 C27 115.9(8) . . ?
N5 C29 C30 122.8(9) . . ?
N5 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
C29 C30 C31 117.5(10) . . ?
C29 C30 H30 121.3 . . ?
C31 C30 H30 121.3 . . ?
C32 C31 C30 119.8(11) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C33 C32 C31 119.7(10) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
N5 C33 C32 120.8(9) . . ?
N5 C33 C34 113.3(9) . . ?
C32 C33 C34 125.9(10) . . ?
N6 C34 C35 120.8(10) . . ?
N6 C34 C33 115.2(9) . . ?
C35 C34 C33 124.0(10) . . ?
C34 C35 C36 118.6(11) . . ?
C34 C35 H35 120.7 . . ?
C36 C35 H35 120.7 . . ?
C37 C36 C35 118.8(10) . . ?
C37 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
C38 C37 C36 119.6(11) . . ?
C38 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
N6 C38 C37 121.3(11) . . ?
N6 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
N7 C39 C40 119.5(9) . . ?
N7 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
C41 C40 C39 119.6(9) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C42 C41 C40 120.4(9) . . ?
C42 C41 H41 119.8 . . ?
C40 C41 H41 119.8 . . ?
C41 C42 C43 118.5(9) . . ?
C41 C42 H42 120.7 . . ?
C43 C42 H42 120.7 . . ?
N7 C43 C42 122.3(9) . . ?
N7 C43 C44 112.6(8) . . ?
C42 C43 C44 125.1(8) . . ?
N8 C44 C45 120.4(8) . . ?
N8 C44 C43 114.5(8) . . ?
C45 C44 C43 125.1(8) . . ?
C46 C45 C44 120.0(9) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 119.8(9) . . ?
C45 C46 H46 120.1 . . ?
C47 C46 H46 120.1 . . ?
C48 C47 C46 118.5(10) . . ?
C48 C47 H47 120.8 . . ?
C46 C47 H47 120.8 . . ?
N8 C48 C47 121.3(9) . . ?
N8 C48 H48 119.3 . . ?
C47 C48 H48 119.3 . . ?
O14 C49 O13 122.9(9) . . ?
O14 C49 C50 122.0(9) . . ?
O13 C49 C50 115.1(8) . . ?
O15 C50 C49 112.7(8) . . ?
O15 C50 C51 112.3(7) . . ?
C49 C50 C51 107.4(7) . . ?
O15 C50 H50 108.1 . . ?
C49 C50 H50 108.1 . . ?
C51 C50 H50 108.1 . . ?
O16 C51 C52 112.3(8) . . ?
O16 C51 C50 111.3(7) . . ?
C52 C51 C50 108.3(7) . . ?
O16 C51 H51 108.3 . . ?
C52 C51 H51 108.3 . . ?
C50 C51 H51 108.3 . . ?
O18 C52 O17 121.9(9) . . ?
O18 C52 C51 121.4(9) . . ?
O17 C52 C51 116.6(8) . . ?
N9 C53 C54 120.7(10) . . ?
N9 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C55 C54 C53 120.3(9) . . ?
C55 C54 H54 119.9 . . ?
C53 C54 H54 119.9 . . ?
C56 C55 C54 118.6(10) . . ?
C56 C55 H55 120.7 . . ?
C54 C55 H55 120.7 . . ?
C55 C56 C57 120.3(10) . . ?
C55 C56 H56 119.9 . . ?
C57 C56 H56 119.9 . . ?
N9 C57 C56 120.6(9) . . ?
N9 C57 C58 113.6(8) . . ?
C56 C57 C58 125.9(10) . . ?
N10 C58 C59 121.4(9) . . ?
N10 C58 C57 113.3(8) . . ?
C59 C58 C57 125.3(9) . . ?
C58 C59 C60 119.0(10) . . ?
C58 C59 H59 120.5 . . ?
C60 C59 H59 120.5 . . ?
C61 C60 C59 120.0(10) . . ?
C61 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C60 C61 C62 118.8(9) . . ?
C60 C61 H61 120.6 . . ?
C62 C61 H61 120.6 . . ?
N10 C62 C61 120.7(9) . . ?
N10 C62 H62 119.6 . . ?
C61 C62 H62 119.6 . . ?
N11 C63 C64 121.1(11) . . ?
N11 C63 H63 119.4 . . ?
C64 C63 H63 119.4 . . ?
C65 C64 C63 120.2(12) . . ?
C65 C64 H64 119.9 . . ?
C63 C64 H64 119.9 . . ?
C64 C65 C66 119.0(11) . . ?
C64 C65 H65 120.5 . . ?
C66 C65 H65 120.5 . . ?
C67 C66 C65 117.8(12) . . ?
C67 C66 H66 121.1 . . ?
C65 C66 H66 121.1 . . ?
N11 C67 C66 121.7(11) . . ?
N11 C67 C68 113.9(9) . . ?
C66 C67 C68 124.3(11) . . ?
N12 C68 C69 121.3(10) . . ?
N12 C68 C67 113.7(9) . . ?
C69 C68 C67 125.0(11) . . ?
C70 C69 C68 118.3(12) . . ?
C70 C69 H69 120.8 . . ?
C68 C69 H69 120.8 . . ?
C69 C70 C71 121.2(11) . . ?
C69 C70 H70 119.4 . . ?
C71 C70 H70 119.4 . . ?
C72 C71 C70 118.5(12) . . ?
C72 C71 H71 120.8 . . ?
C70 C71 H71 120.8 . . ?
N12 C72 C71 121.8(11) . . ?
N12 C72 H72 119.1 . . ?
C71 C72 H72 119.1 . . ?
C5 N1 C9 119.4(9) . . ?
C5 N1 Pt1 126.1(7) . . ?
C9 N1 Pt1 114.6(7) . . ?
C10 N2 C14 119.3(9) . . ?
C10 N2 Pt1 116.5(7) . . ?
C14 N2 Pt1 124.2(7) . . ?
C15 N3 C19 120.3(8) . . ?
C15 N3 Pt2 124.7(6) . . ?
C19 N3 Pt2 115.0(6) . . ?
C24 N4 C20 119.0(9) . . ?
C24 N4 Pt2 124.8(7) . . ?
C20 N4 Pt2 116.1(7) . . ?
C29 N5 C33 119.4(9) . . ?
C29 N5 Pt3 124.9(7) . . ?
C33 N5 Pt3 115.7(7) . . ?
C34 N6 C38 121.0(9) . . ?
C34 N6 Pt3 115.5(6) . . ?
C38 N6 Pt3 123.5(8) . . ?
C43 N7 C39 119.6(8) . . ?
C43 N7 Pt4 117.1(6) . . ?
C39 N7 Pt4 123.3(6) . . ?
C48 N8 C44 120.0(8) . . ?
C48 N8 Pt4 124.3(6) . . ?
C44 N8 Pt4 115.7(6) . . ?
C53 N9 C57 119.6(8) . . ?
C53 N9 Pt5 124.1(7) . . ?
C57 N9 Pt5 116.3(6) . . ?
C62 N10 C58 119.9(8) . . ?
C62 N10 Pt5 123.5(7) . . ?
C58 N10 Pt5 116.6(6) . . ?
C67 N11 C63 120.0(9) . . ?
C67 N11 Pt6 116.1(7) . . ?
C63 N11 Pt6 123.8(8) . . ?
C72 N12 C68 118.9(9) . . ?
C72 N12 Pt6 125.6(8) . . ?
C68 N12 Pt6 115.5(7) . . ?
C1 O1 Pt1 112.7(7) . . ?
C2 O3 Pt1 109.4(6) . . ?
C3 O4 Pt2 109.7(6) . . ?
C4 O5 Pt2 113.4(6) . . ?
C25 O7 Pt3 112.5(7) . . ?
C26 O9 Pt3 109.9(6) . . ?
C27 O10 Pt4 111.5(5) . . ?
C28 O11 Pt4 114.2(6) . . ?
C49 O13 Pt5 113.7(5) . . ?
C50 O15 Pt5 109.2(5) . . ?
C51 O16 Pt6 107.6(5) . . ?
C52 O17 Pt6 112.0(6) . . ?
H19A O19B H19B 109.5 . . ?
H18A O18B H18B 109.5 . . ?
H1SA O1S H1SB 109.5 . . ?
H2SA O2S H2SB 109.5 . . ?
H3SA O3S H3SB 109.5 . . ?
H4SA O4S H4SB 109.5 . . ?
H5SA O5S H5SB 109.5 . . ?
H6SA O6S H6SB 109.5 . . ?
H7SA O7S H7SB 109.5 . . ?
H8SA O8S H8SB 109.5 . . ?
H9SA O9S H9SB 109.5 . . ?
H10A O10S H10B 109.5 . . ?
H11A O11S H11B 109.5 . . ?
H12A O12S H12B 109.5 . . ?
H13A O13S H13B 109.5 . . ?
H14A O14S H14B 109.5 . . ?
H15A O15S H15B 114(10) . . ?
H16A O16S H16B 109.5 . . ?
H17A O17S H17B 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
O2 C1 C2 O3 -163.5(9) . . . . ?
O1 C1 C2 O3 16.8(13) . . . . ?
O2 C1 C2 C3 74.9(12) . . . . ?
O1 C1 C2 C3 -104.9(10) . . . . ?
O3 C2 C3 O4 -65.0(10) . . . . ?
C1 C2 C3 O4 57.7(10) . . . . ?
O3 C2 C3 C4 58.6(10) . . . . ?
C1 C2 C3 C4 -178.7(8) . . . . ?
O4 C3 C4 O6 -167.6(9) . . . . ?
C2 C3 C4 O6 69.2(11) . . . . ?
O4 C3 C4 O5 14.8(12) . . . . ?
C2 C3 C4 O5 -108.4(10) . . . . ?
N1 C5 C6 C7 2(2) . . . . ?
C5 C6 C7 C8 -2(2) . . . . ?
C6 C7 C8 C9 0.4(19) . . . . ?
C7 C8 C9 N1 0.5(17) . . . . ?
C7 C8 C9 C10 -179.3(11) . . . . ?
C8 C9 C10 N2 -179.2(10) . . . . ?
N1 C9 C10 N2 1.1(13) . . . . ?
C8 C9 C10 C11 -0.3(17) . . . . ?
N1 C9 C10 C11 179.9(10) . . . . ?
N2 C10 C11 C12 -1.1(16) . . . . ?
C9 C10 C11 C12 -179.9(10) . . . . ?
C10 C11 C12 C13 -0.8(17) . . . . ?
C11 C12 C13 C14 2.2(17) . . . . ?
C12 C13 C14 N2 -1.8(16) . . . . ?
N3 C15 C16 C17 -0.3(17) . . . . ?
C15 C16 C17 C18 0.5(18) . . . . ?
C16 C17 C18 C19 -0.3(18) . . . . ?
C17 C18 C19 N3 -0.2(17) . . . . ?
C17 C18 C19 C20 -179.1(11) . . . . ?
N3 C19 C20 N4 2.2(14) . . . . ?
C18 C19 C20 N4 -178.8(10) . . . . ?
N3 C19 C20 C21 -175.0(10) . . . . ?
C18 C19 C20 C21 4.0(18) . . . . ?
N4 C20 C21 C22 2.6(16) . . . . ?
C19 C20 C21 C22 179.5(11) . . . . ?
C20 C21 C22 C23 -2.6(16) . . . . ?
C21 C22 C23 C24 2.0(17) . . . . ?
C22 C23 C24 N4 -1.3(16) . . . . ?
O8 C25 C26 O9 -163.7(9) . . . . ?
O7 C25 C26 O9 18.0(13) . . . . ?
O8 C25 C26 C27 74.2(12) . . . . ?
O7 C25 C26 C27 -104.2(10) . . . . ?
O9 C26 C27 O10 -66.3(10) . . . . ?
C25 C26 C27 O10 55.1(10) . . . . ?
O9 C26 C27 C28 56.0(10) . . . . ?
C25 C26 C27 C28 177.4(8) . . . . ?
O10 C27 C28 O12 -166.4(9) . . . . ?
C26 C27 C28 O12 72.1(12) . . . . ?
O10 C27 C28 O11 15.6(12) . . . . ?
C26 C27 C28 O11 -105.9(10) . . . . ?
N5 C29 C30 C31 -2.0(18) . . . . ?
C29 C30 C31 C32 1.4(18) . . . . ?
C30 C31 C32 C33 -1.0(18) . . . . ?
C31 C32 C33 N5 1.1(17) . . . . ?
C31 C32 C33 C34 -179.4(11) . . . . ?
N5 C33 C34 N6 0.1(14) . . . . ?
C32 C33 C34 N6 -179.4(11) . . . . ?
N5 C33 C34 C35 -178.7(10) . . . . ?
C32 C33 C34 C35 1.7(18) . . . . ?
N6 C34 C35 C36 -0.3(15) . . . . ?
C33 C34 C35 C36 178.5(10) . . . . ?
C34 C35 C36 C37 -0.3(15) . . . . ?
C35 C36 C37 C38 1.5(16) . . . . ?
C36 C37 C38 N6 -2.1(17) . . . . ?
N7 C39 C40 C41 -1.2(17) . . . . ?
C39 C40 C41 C42 1.8(18) . . . . ?
C40 C41 C42 C43 -0.9(18) . . . . ?
C41 C42 C43 N7 -0.8(18) . . . . ?
C41 C42 C43 C44 179.0(10) . . . . ?
N7 C43 C44 N8 -1.1(13) . . . . ?
C42 C43 C44 N8 179.0(11) . . . . ?
N7 C43 C44 C45 179.8(10) . . . . ?
C42 C43 C44 C45 -0.1(18) . . . . ?
N8 C44 C45 C46 -0.2(17) . . . . ?
C43 C44 C45 C46 178.9(11) . . . . ?
C44 C45 C46 C47 -1.5(18) . . . . ?
C45 C46 C47 C48 2.2(18) . . . . ?
C46 C47 C48 N8 -1.2(17) . . . . ?
O14 C49 C50 O15 -160.7(9) . . . . ?
O13 C49 C50 O15 20.6(11) . . . . ?
O14 C49 C50 C51 75.0(11) . . . . ?
O13 C49 C50 C51 -103.7(9) . . . . ?
O15 C50 C51 O16 -65.0(9) . . . . ?
C49 C50 C51 O16 59.5(10) . . . . ?
O15 C50 C51 C52 58.9(10) . . . . ?
C49 C50 C51 C52 -176.6(8) . . . . ?
O16 C51 C52 O18 -158.2(8) . . . . ?
C50 C51 C52 O18 78.6(11) . . . . ?
O16 C51 C52 O17 24.5(11) . . . . ?
C50 C51 C52 O17 -98.7(9) . . . . ?
N9 C53 C54 C55 -0.3(18) . . . . ?
C53 C54 C55 C56 0.4(19) . . . . ?
C54 C55 C56 C57 0.0(19) . . . . ?
C55 C56 C57 N9 -0.5(18) . . . . ?
C55 C56 C57 C58 178.7(12) . . . . ?
N9 C57 C58 N10 -0.7(14) . . . . ?
C56 C57 C58 N10 179.9(11) . . . . ?
N9 C57 C58 C59 179.0(11) . . . . ?
C56 C57 C58 C59 -0.3(19) . . . . ?
N10 C58 C59 C60 -1.3(17) . . . . ?
C57 C58 C59 C60 179.0(11) . . . . ?
C58 C59 C60 C61 0.0(17) . . . . ?
C59 C60 C61 C62 1.8(17) . . . . ?
C60 C61 C62 N10 -2.5(17) . . . . ?
N11 C63 C64 C65 -3.5(19) . . . . ?
C63 C64 C65 C66 1.5(19) . . . . ?
C64 C65 C66 C67 1.4(18) . . . . ?
C65 C66 C67 N11 -2.4(17) . . . . ?
C65 C66 C67 C68 -179.3(11) . . . . ?
N11 C67 C68 N12 2.5(14) . . . . ?
C66 C67 C68 N12 179.6(10) . . . . ?
N11 C67 C68 C69 -176.1(11) . . . . ?
C66 C67 C68 C69 1.0(18) . . . . ?
N12 C68 C69 C70 0.3(19) . . . . ?
C67 C68 C69 C70 178.9(11) . . . . ?
C68 C69 C70 C71 1(2) . . . . ?
C69 C70 C71 C72 -1(2) . . . . ?
C70 C71 C72 N12 -0.3(19) . . . . ?
C6 C5 N1 C9 -1.2(18) . . . . ?
C6 C5 N1 Pt1 179.9(9) . . . . ?
C8 C9 N1 C5 -0.1(16) . . . . ?
C10 C9 N1 C5 179.7(10) . . . . ?
C8 C9 N1 Pt1 178.9(9) . . . . ?
C10 C9 N1 Pt1 -1.3(11) . . . . ?
C11 C10 N2 C14 1.4(14) . . . . ?
C9 C10 N2 C14 -179.6(8) . . . . ?
C11 C10 N2 Pt1 -179.3(8) . . . . ?
C9 C10 N2 Pt1 -0.4(11) . . . . ?
C13 C14 N2 C10 0.0(15) . . . . ?
C13 C14 N2 Pt1 -179.2(8) . . . . ?
C16 C15 N3 C19 -0.2(16) . . . . ?
C16 C15 N3 Pt2 -179.8(8) . . . . ?
C18 C19 N3 C15 0.4(15) . . . . ?
C20 C19 N3 C15 179.4(9) . . . . ?
C18 C19 N3 Pt2 -180.0(8) . . . . ?
C20 C19 N3 Pt2 -1.0(12) . . . . ?
C23 C24 N4 C20 1.2(15) . . . . ?
C23 C24 N4 Pt2 -175.2(8) . . . . ?
C21 C20 N4 C24 -1.9(15) . . . . ?
C19 C20 N4 C24 -179.1(9) . . . . ?
C21 C20 N4 Pt2 174.9(8) . . . . ?
C19 C20 N4 Pt2 -2.4(11) . . . . ?
C30 C29 N5 C33 2.2(17) . . . . ?
C30 C29 N5 Pt3 -176.1(9) . . . . ?
C32 C33 N5 C29 -1.7(16) . . . . ?
C34 C33 N5 C29 178.7(9) . . . . ?
C32 C33 N5 Pt3 176.7(9) . . . . ?
C34 C33 N5 Pt3 -2.8(12) . . . . ?
C35 C34 N6 C38 -0.3(15) . . . . ?
C33 C34 N6 C38 -179.2(9) . . . . ?
C35 C34 N6 Pt3 -178.5(7) . . . . ?
C33 C34 N6 Pt3 2.7(12) . . . . ?
C37 C38 N6 C34 1.5(16) . . . . ?
C37 C38 N6 Pt3 179.5(8) . . . . ?
C42 C43 N7 C39 1.5(16) . . . . ?
C44 C43 N7 C39 -178.4(9) . . . . ?
C42 C43 N7 Pt4 -179.6(9) . . . . ?
C44 C43 N7 Pt4 0.6(12) . . . . ?
C40 C39 N7 C43 -0.4(15) . . . . ?
C40 C39 N7 Pt4 -179.3(8) . . . . ?
C47 C48 N8 C44 -0.5(16) . . . . ?
C47 C48 N8 Pt4 -179.6(8) . . . . ?
C45 C44 N8 C48 1.2(15) . . . . ?
C43 C44 N8 C48 -178.0(9) . . . . ?
C45 C44 N8 Pt4 -179.7(8) . . . . ?
C43 C44 N8 Pt4 1.2(11) . . . . ?
C54 C53 N9 C57 -0.1(16) . . . . ?
C54 C53 N9 Pt5 -179.2(8) . . . . ?
C56 C57 N9 C53 0.6(16) . . . . ?
C58 C57 N9 C53 -178.8(9) . . . . ?
C56 C57 N9 Pt5 179.7(8) . . . . ?
C58 C57 N9 Pt5 0.3(12) . . . . ?
C61 C62 N10 C58 1.3(15) . . . . ?
C61 C62 N10 Pt5 -179.2(8) . . . . ?
C59 C58 N10 C62 0.6(16) . . . . ?
C57 C58 N10 C62 -179.6(9) . . . . ?
C59 C58 N10 Pt5 -179.0(9) . . . . ?
C57 C58 N10 Pt5 0.8(12) . . . . ?
C66 C67 N11 C63 0.4(17) . . . . ?
C68 C67 N11 C63 177.7(10) . . . . ?
C66 C67 N11 Pt6 -179.8(8) . . . . ?
C68 C67 N11 Pt6 -2.6(12) . . . . ?
C64 C63 N11 C67 2.6(17) . . . . ?
C64 C63 N11 Pt6 -177.2(9) . . . . ?
C71 C72 N12 C68 1.2(16) . . . . ?
C71 C72 N12 Pt6 -177.3(9) . . . . ?
C69 C68 N12 C72 -1.2(16) . . . . ?
C67 C68 N12 C72 -179.9(10) . . . . ?
C69 C68 N12 Pt6 177.4(9) . . . . ?
C67 C68 N12 Pt6 -1.3(12) . . . . ?
O2 C1 O1 Pt1 -176.9(8) . . . . ?
C2 C1 O1 Pt1 2.8(11) . . . . ?
C1 C2 O3 Pt1 -27.3(9) . . . . ?
C3 C2 O3 Pt1 92.7(8) . . . . ?
C4 C3 O4 Pt2 -25.1(10) . . . . ?
C2 C3 O4 Pt2 95.2(8) . . . . ?
O6 C4 O5 Pt2 -174.0(8) . . . . ?
C3 C4 O5 Pt2 3.7(11) . . . . ?
O8 C25 O7 Pt3 -175.5(8) . . . . ?
C26 C25 O7 Pt3 2.8(11) . . . . ?
C25 C26 O9 Pt3 -29.4(9) . . . . ?
C27 C26 O9 Pt3 90.6(8) . . . . ?
C28 C27 O10 Pt4 -23.7(9) . . . . ?
C26 C27 O10 Pt4 96.2(7) . . . . ?
O12 C28 O11 Pt4 -177.4(8) . . . . ?
C27 C28 O11 Pt4 0.7(11) . . . . ?
O14 C49 O13 Pt5 179.4(8) . . . . ?
C50 C49 O13 Pt5 -2.0(10) . . . . ?
C49 C50 O15 Pt5 -27.9(9) . . . . ?
C51 C50 O15 Pt5 93.6(7) . . . . ?
C52 C51 O16 Pt6 -31.5(8) . . . . ?
C50 C51 O16 Pt6 90.1(7) . . . . ?
O18 C52 O17 Pt6 179.1(7) . . . . ?
C51 C52 O17 Pt6 -3.7(10) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O2S H2SB O9 0.87 1.84 2.668(10) 159.3 .
O2S H2SA O4 0.87 1.75 2.622(10) 179.5 .
O1S H1SB O10 0.87 1.84 2.674(9) 160.9 .
O5S H5SB O3 0.87 1.86 2.670(10) 153.2 1_565
O5S H5SA O16 0.87 1.97 2.694(9) 139.3 .

_refine_diff_density_max         1.164
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.118

####################################################################### 
# 
# 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_4_H2O
_database_code_depnum_ccdc_archive 'CCDC 1502818'
_audit_update_record             
;
2017-05-16 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H14 N2 O7 Pt'
_chemical_formula_weight         517.36

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_H-M_alt        'C c'
_space_group_name_Hall           'C -2yc'

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

_cell_length_a                   7.6436(9)
_cell_length_b                   22.957(3)
_cell_length_c                   8.8476(11)
_cell_angle_alpha                90
_cell_angle_beta                 102.6920(10)
_cell_angle_gamma                90
_cell_volume                     1514.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    7440
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      28.21

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.269
_exptl_crystal_F_000             984
_exptl_transmission_factor_min   0.4782
_exptl_transmission_factor_max   0.7806
_exptl_crystal_size_max          0.093
_exptl_crystal_size_mid          0.062
_exptl_crystal_size_min          0.028
_exptl_absorpt_coefficient_mu    9.306
_shelx_estimated_absorpt_T_min   0.478
_shelx_estimated_absorpt_T_max   0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS-2014/2 - Bruker 2014'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            7969
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.774
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             3098
_reflns_number_gt                3016
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.969
_reflns_Friedel_fraction_max     0.978
_reflns_Friedel_fraction_full    0.977

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

_computing_data_collection       'Bruker APEX2 (Bruker 2014)'
_computing_cell_refinement       'Bruker SAINT (Bruker 2014)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2014)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'XCIF (Bruker, 2014)'
_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)+0.2411P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1449 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.020(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3098
_refine_ls_number_parameters     227
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0136
_refine_ls_R_factor_gt           0.0131
_refine_ls_wR_factor_ref         0.0304
_refine_ls_wR_factor_gt          0.0302
_refine_ls_goodness_of_fit_ref   0.850
_refine_ls_restrained_S_all      0.849
_refine_ls_shift/su_max          0.007
_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
C1 C 0.1281(7) 0.8791(2) 0.3705(6) 0.0239(10) Uani 1 1 d . . . . .
C2 C 0.2410(7) 0.8338(2) 0.4763(6) 0.0257(10) Uani 1 1 d . . . . .
H2 H 0.291587 0.805760 0.410548 0.031 Uiso 1 1 calc R U . . .
C3 C 0.1168(11) 0.8005(3) 0.5595(8) 0.0249(13) Uani 1 1 d . . . . .
H3 H 0.025709 0.778880 0.480980 0.030 Uiso 1 1 calc R U . . .
C4 C 0.2254(7) 0.7566(2) 0.6735(6) 0.0277(11) Uani 1 1 d . . . . .
C5 C 0.2708(15) 1.0648(4) 0.4704(13) 0.0255(18) Uani 1 1 d . . . . .
H5 H 0.190335 1.046148 0.387394 0.031 Uiso 1 1 calc R U . . .
C6 C 0.2691(11) 1.1251(3) 0.4778(9) 0.0289(16) Uani 1 1 d . . . . .
H6 H 0.187399 1.147537 0.404019 0.035 Uiso 1 1 calc R U . . .
C7 C 0.3919(17) 1.1514(2) 0.5977(13) 0.034(2) Uani 1 1 d . . . . .
H7 H 0.395805 1.192601 0.607242 0.041 Uiso 1 1 calc R U . . .
C8 C 0.5072(11) 1.1175(4) 0.7021(9) 0.0308(18) Uani 1 1 d . . . . .
H8 H 0.590512 1.135508 0.784373 0.037 Uiso 1 1 calc R U . . .
C9 C 0.5044(14) 1.0588(3) 0.6899(12) 0.023(2) Uani 1 1 d . . . . .
C10 C 0.6195(6) 1.0172(2) 0.7911(5) 0.0231(10) Uani 1 1 d . . . . .
C11 C 0.7570(7) 1.0325(3) 0.9135(6) 0.0296(11) Uani 1 1 d . . . . .
H11 H 0.783578 1.072348 0.936338 0.035 Uiso 1 1 calc R U . . .
C12 C 0.8552(7) 0.9898(3) 1.0022(6) 0.0350(13) Uani 1 1 d . . . . .
H12 H 0.950448 0.999918 1.086572 0.042 Uiso 1 1 calc R U . . .
C13 C 0.8143(8) 0.9322(3) 0.9678(7) 0.0355(13) Uani 1 1 d . . . . .
H13 H 0.880660 0.902046 1.028196 0.043 Uiso 1 1 calc R U . . .
C14 C 0.6761(7) 0.9190(3) 0.8446(6) 0.0294(11) Uani 1 1 d . . . . .
H14 H 0.648057 0.879230 0.820792 0.035 Uiso 1 1 calc R U . . .
H1O H 0.678(10) 0.788(3) 0.498(4) 0.08(3) Uiso 1 1 d D . . . .
H2O H 0.601(7) 0.821(3) 0.584(8) 0.07(3) Uiso 1 1 d D . . . .
N1 N 0.3791(15) 1.03181(14) 0.5733(12) 0.0214(6) Uani 1 1 d . . . . .
N2 N 0.5797(7) 0.9603(2) 0.7571(6) 0.0227(10) Uani 1 1 d . . . . .
O1 O 0.1769(6) 0.93282(17) 0.3926(6) 0.0246(10) Uani 1 1 d . . . . .
O2 O -0.0011(5) 0.86365(15) 0.2692(4) 0.0338(9) Uani 1 1 d . . . . .
O3 O 0.3833(12) 0.85897(12) 0.5838(10) 0.0265(7) Uani 1 1 d . . . . .
O4 O 0.0282(5) 0.84105(16) 0.6355(4) 0.0324(8) Uani 1 1 d . . . . .
H4 H -0.078601 0.830524 0.628004 0.049 Uiso 1 1 calc R U . . .
O5 O 0.3235(5) 0.72283(17) 0.6036(4) 0.0366(9) Uani 1 1 d . . . . .
H5A H 0.389199 0.701384 0.669464 0.055 Uiso 1 1 calc R U . . .
O6 O 0.2178(6) 0.75261(17) 0.8060(4) 0.0407(9) Uani 1 1 d . . . . .
O1S O 0.6917(8) 0.8006(4) 0.5872(9) 0.069(2) Uani 1 1 d D . . . .
Pt1 Pt 0.37972(6) 0.94543(2) 0.57604(6) 0.01926(5) 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
C1 O2 1.231(6) . ?
C1 O1 1.291(6) . ?
C1 C2 1.533(7) . ?
C2 O3 1.402(10) . ?
C2 C3 1.528(10) . ?
C2 H2 1.0000 . ?
C3 O4 1.407(8) . ?
C3 C4 1.534(9) . ?
C3 H3 1.0000 . ?
C4 O6 1.190(6) . ?
C4 O5 1.322(6) . ?
C5 N1 1.325(14) . ?
C5 C6 1.387(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.390(14) . ?
C6 H6 0.9500 . ?
C7 C8 1.371(13) . ?
C7 H7 0.9500 . ?
C8 C9 1.351(11) . ?
C8 H8 0.9500 . ?
C9 N1 1.390(14) . ?
C9 C10 1.464(11) . ?
C10 N2 1.359(7) . ?
C10 C11 1.379(7) . ?
C11 C12 1.370(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.375(8) . ?
C13 H13 0.9500 . ?
C14 N2 1.339(7) . ?
C14 H14 0.9500 . ?
N1 Pt1 1.983(3) . ?
N2 Pt1 1.986(5) . ?
O1 Pt1 2.004(5) . ?
O3 Pt1 1.986(3) . ?
O4 H4 0.8400 . ?
O5 H5A 0.8400 . ?
O1S H1O 0.824(15) . ?
O1S H2O 0.828(15) . ?

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
O2 C1 O1 123.0(5) . . ?
O2 C1 C2 120.2(4) . . ?
O1 C1 C2 116.8(4) . . ?
O3 C2 C3 110.5(5) . . ?
O3 C2 C1 112.5(4) . . ?
C3 C2 C1 107.9(5) . . ?
O3 C2 H2 108.6 . . ?
C3 C2 H2 108.6 . . ?
C1 C2 H2 108.6 . . ?
O4 C3 C2 108.3(5) . . ?
O4 C3 C4 111.6(5) . . ?
C2 C3 C4 110.0(6) . . ?
O4 C3 H3 109.0 . . ?
C2 C3 H3 109.0 . . ?
C4 C3 H3 109.0 . . ?
O6 C4 O5 124.8(5) . . ?
O6 C4 C3 124.2(5) . . ?
O5 C4 C3 110.9(5) . . ?
N1 C5 C6 123.3(10) . . ?
N1 C5 H5 118.3 . . ?
C6 C5 H5 118.3 . . ?
C5 C6 C7 117.2(9) . . ?
C5 C6 H6 121.4 . . ?
C7 C6 H6 121.4 . . ?
C8 C7 C6 119.6(5) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C9 C8 C7 121.0(9) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 N1 120.0(9) . . ?
C8 C9 C10 127.2(9) . . ?
N1 C9 C10 112.7(6) . . ?
N2 C10 C11 120.9(5) . . ?
N2 C10 C9 114.6(5) . . ?
C11 C10 C9 124.5(5) . . ?
C12 C11 C10 119.7(5) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 119.4(5) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 119.0(6) . . ?
C14 C13 H13 120.5 . . ?
C12 C13 H13 120.5 . . ?
N2 C14 C13 122.1(6) . . ?
N2 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C5 N1 C9 118.7(4) . . ?
C5 N1 Pt1 125.4(8) . . ?
C9 N1 Pt1 115.9(7) . . ?
C14 N2 C10 119.0(5) . . ?
C14 N2 Pt1 124.9(4) . . ?
C10 N2 Pt1 116.1(4) . . ?
C1 O1 Pt1 114.0(4) . . ?
C2 O3 Pt1 112.7(5) . . ?
C3 O4 H4 109.5 . . ?
C4 O5 H5A 109.5 . . ?
H1O O1S H2O 103(4) . . ?
N1 Pt1 N2 80.6(4) . . ?
N1 Pt1 O3 178.7(5) . . ?
N2 Pt1 O3 98.2(3) . . ?
N1 Pt1 O1 97.8(3) . . ?
N2 Pt1 O1 178.4(2) . . ?
O3 Pt1 O1 83.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 C1 C2 O3 179.5(6) . . . . ?
O1 C1 C2 O3 0.2(7) . . . . ?
O2 C1 C2 C3 -58.2(6) . . . . ?
O1 C1 C2 C3 122.5(5) . . . . ?
O3 C2 C3 O4 68.6(6) . . . . ?
C1 C2 C3 O4 -54.9(6) . . . . ?
O3 C2 C3 C4 -53.6(6) . . . . ?
C1 C2 C3 C4 -177.1(4) . . . . ?
O4 C3 C4 O6 8.9(9) . . . . ?
C2 C3 C4 O6 129.2(6) . . . . ?
O4 C3 C4 O5 -173.1(5) . . . . ?
C2 C3 C4 O5 -52.8(6) . . . . ?
N1 C5 C6 C7 1.9(16) . . . . ?
C5 C6 C7 C8 -0.2(17) . . . . ?
C6 C7 C8 C9 0.4(18) . . . . ?
C7 C8 C9 N1 -2.2(16) . . . . ?
C7 C8 C9 C10 179.4(9) . . . . ?
C8 C9 C10 N2 176.1(9) . . . . ?
N1 C9 C10 N2 -2.3(11) . . . . ?
C8 C9 C10 C11 -3.0(14) . . . . ?
N1 C9 C10 C11 178.6(7) . . . . ?
N2 C10 C11 C12 0.1(8) . . . . ?
C9 C10 C11 C12 179.2(7) . . . . ?
C10 C11 C12 C13 -0.2(8) . . . . ?
C11 C12 C13 C14 0.2(8) . . . . ?
C12 C13 C14 N2 -0.1(8) . . . . ?
C6 C5 N1 C9 -4(2) . . . . ?
C6 C5 N1 Pt1 176.6(8) . . . . ?
C8 C9 N1 C5 3.8(19) . . . . ?
C10 C9 N1 C5 -177.6(7) . . . . ?
C8 C9 N1 Pt1 -176.4(7) . . . . ?
C10 C9 N1 Pt1 2.1(12) . . . . ?
C13 C14 N2 C10 -0.1(8) . . . . ?
C13 C14 N2 Pt1 179.3(4) . . . . ?
C11 C10 N2 C14 0.1(8) . . . . ?
C9 C10 N2 C14 -179.1(6) . . . . ?
C11 C10 N2 Pt1 -179.4(4) . . . . ?
C9 C10 N2 Pt1 1.4(7) . . . . ?
O2 C1 O1 Pt1 175.5(4) . . . . ?
C2 C1 O1 Pt1 -5.3(6) . . . . ?
C3 C2 O3 Pt1 -115.8(5) . . . . ?
C1 C2 O3 Pt1 4.9(7) . . . . ?

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
O1S H1O O6 0.824(15) 2.02(2) 2.817(8) 163(7) 4_564
O1S H2O O3 0.828(15) 1.88(2) 2.707(10) 174(9) .
O4 H4 O1S 0.84 1.85 2.679(8) 171.4 1_455
O5 H5A O2 0.84 1.84 2.650(5) 161.5 4_565
C3 H3 O6 1.00 2.62 3.579(8) 161.0 4_464

_refine_diff_density_max         0.658
_refine_diff_density_min         -0.388
_refine_diff_density_rms         0.075

####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 1502814'
_audit_update_record             
;
2017-05-16 deposited with the CCDC.
2017-05-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H30 N4 O12 Pt2'
_chemical_formula_weight         956.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_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'

_cell_length_a                   7.2798(5)
_cell_length_b                   10.3151(7)
_cell_length_c                   20.0355(14)
_cell_angle_alpha                102.1730(10)
_cell_angle_beta                 93.9140(10)
_cell_angle_gamma                100.8320(10)
_cell_volume                     1435.32(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9895
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      26.21

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.214
_exptl_crystal_F_000             908
_exptl_transmission_factor_min   0.5235
_exptl_transmission_factor_max   0.8015
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.091
_exptl_crystal_size_min          0.052
_exptl_absorpt_coefficient_mu    9.805
_shelx_estimated_absorpt_T_min   0.260
_shelx_estimated_absorpt_T_max   0.630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS-2014/2 - Bruker 2014'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            14758
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.046
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             10848
_reflns_number_gt                10545
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.943
_reflns_Friedel_fraction_max     0.936
_reflns_Friedel_fraction_full    0.943

_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       'Bruker APEX2 (Bruker 2014)'
_computing_data_reduction        'Bruker SAINT and XPREP (Bruker 2014)'
_computing_structure_solution    'SHELXL2014 (Sheldrick, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'XCIF (Bruker, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+0.6725P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 4969 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         10848
_refine_ls_number_parameters     757
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0170
_refine_ls_wR_factor_ref         0.0402
_refine_ls_wR_factor_gt          0.0397
_refine_ls_goodness_of_fit_ref   0.761
_refine_ls_restrained_S_all      0.765
_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
Pt1 Pt 0.35585(3) 0.22113(2) 0.24989(2) 0.02234(7) Uani 1 1 d . . . . .
Pt2 Pt -0.07026(3) 0.34515(2) 0.26359(2) 0.02301(7) Uani 1 1 d . . . . .
Pt3 Pt 1.10964(3) 0.74312(3) 0.76187(2) 0.02243(6) Uani 1 1 d . . . . .
Pt4 Pt 0.64209(3) 0.77151(3) 0.75243(2) 0.01943(6) Uani 1 1 d . . . . .
C1 C 0.1371(10) -0.0166(7) 0.1669(3) 0.0290(15) Uani 1 1 d . . . . .
C2 C 0.0922(10) 0.0975(7) 0.1359(3) 0.0264(15) Uani 1 1 d . . . . .
H2 H 0.086390 0.067923 0.084807 0.032 Uiso 1 1 calc R U . . .
C3 C -0.1058(10) 0.1197(7) 0.1537(3) 0.0253(15) Uani 1 1 d . . . . .
H3 H -0.201022 0.035366 0.131763 0.030 Uiso 1 1 calc R U . . .
C4 C -0.1477(11) 0.2344(8) 0.1229(4) 0.0312(17) Uani 1 1 d . . . . .
C5 C 0.4856(10) 0.1197(8) 0.3689(3) 0.0321(16) Uani 1 1 d . . . . .
H5 H 0.438667 0.031546 0.340774 0.038 Uiso 1 1 calc R U . . .
C6 C 0.5638(11) 0.1330(8) 0.4362(4) 0.0344(17) Uani 1 1 d . . . . .
H6 H 0.566661 0.054929 0.454008 0.041 Uiso 1 1 calc R U . . .
C7 C 0.6372(11) 0.2615(8) 0.4767(4) 0.0345(17) Uani 1 1 d . . . . .
H7 H 0.694471 0.272828 0.522150 0.041 Uiso 1 1 calc R U . . .
C8 C 0.6256(10) 0.3738(7) 0.4495(3) 0.0285(15) Uani 1 1 d . . . . .
H8 H 0.672354 0.462884 0.476664 0.034 Uiso 1 1 calc R U . . .
C9 C 0.5456(10) 0.3546(8) 0.3828(4) 0.0236(15) Uani 1 1 d . . . . .
C10 C 0.5213(9) 0.4634(7) 0.3488(3) 0.0227(14) Uani 1 1 d . . . . .
C11 C 0.5753(10) 0.6015(7) 0.3793(4) 0.0300(16) Uani 1 1 d . . . . .
H11 H 0.634686 0.631286 0.425162 0.036 Uiso 1 1 calc R U . . .
C12 C 0.5410(11) 0.6951(8) 0.3416(4) 0.0355(17) Uani 1 1 d . . . . .
H12 H 0.575444 0.789597 0.361461 0.043 Uiso 1 1 calc R U . . .
C13 C 0.4559(11) 0.6483(7) 0.2746(4) 0.0351(17) Uani 1 1 d . . . . .
H13 H 0.434338 0.710926 0.247835 0.042 Uiso 1 1 calc R U . . .
C14 C 0.4025(10) 0.5112(7) 0.2468(3) 0.0286(15) Uani 1 1 d . . . . .
H14 H 0.340726 0.480214 0.201343 0.034 Uiso 1 1 calc R U . . .
C15 C 0.0297(10) 0.2331(8) 0.3820(4) 0.0305(16) Uani 1 1 d . . . . .
H15 H -0.008271 0.146792 0.351159 0.037 Uiso 1 1 calc R U . . .
C16 C 0.0978(11) 0.2409(8) 0.4484(4) 0.0364(18) Uani 1 1 d . . . . .
H16 H 0.101907 0.160231 0.463678 0.044 Uiso 1 1 calc R U . . .
C17 C 0.1609(11) 0.3660(8) 0.4935(4) 0.0371(18) Uani 1 1 d . . . . .
H17 H 0.212182 0.372186 0.539186 0.045 Uiso 1 1 calc R U . . .
C18 C 0.1475(10) 0.4823(8) 0.4703(3) 0.0315(16) Uani 1 1 d . . . . .
H18 H 0.188630 0.569606 0.500016 0.038 Uiso 1 1 calc R U . . .
C19 C 0.0731(9) 0.4682(7) 0.4033(3) 0.0247(14) Uani 1 1 d . . . . .
C20 C 0.0501(10) 0.5826(7) 0.3721(3) 0.0271(15) Uani 1 1 d . . . . .
C21 C 0.0940(11) 0.7176(8) 0.4063(4) 0.0332(17) Uani 1 1 d . . . . .
H21 H 0.141473 0.743365 0.453576 0.040 Uiso 1 1 calc R U . . .
C22 C 0.0673(12) 0.8152(8) 0.3699(4) 0.0393(18) Uani 1 1 d . . . . .
H22 H 0.095228 0.908468 0.392543 0.047 Uiso 1 1 calc R U . . .
C23 C 0.0002(12) 0.7760(8) 0.3011(4) 0.0399(18) Uani 1 1 d . . . . .
H23 H -0.017381 0.841719 0.275796 0.048 Uiso 1 1 calc R U . . .
C24 C -0.0414(11) 0.6389(7) 0.2695(4) 0.0340(16) Uani 1 1 d . . . . .
H24 H -0.087398 0.611610 0.222042 0.041 Uiso 1 1 calc R U . . .
C25 C 0.9818(11) 0.4819(8) 0.6790(4) 0.0310(17) Uani 1 1 d . . . . .
C26 C 0.9119(11) 0.5758(7) 0.6394(4) 0.0258(16) Uani 1 1 d . . . . .
H26 H 0.931403 0.545406 0.590042 0.031 Uiso 1 1 calc R U . . .
C27 C 0.6996(10) 0.5650(7) 0.6439(3) 0.0257(14) Uani 1 1 d . . . . .
H27 H 0.630559 0.473731 0.617087 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6403(10) 0.6735(7) 0.6110(3) 0.0262(15) Uani 1 1 d . . . . .
C29 C 1.2522(9) 0.6898(7) 0.8947(4) 0.0309(15) Uani 1 1 d . . . . .
H29 H 1.239910 0.598656 0.869987 0.037 Uiso 1 1 calc R U . . .
C30 C 1.3165(10) 0.7240(9) 0.9634(4) 0.0387(18) Uani 1 1 d . . . . .
H30 H 1.346223 0.657380 0.986213 0.046 Uiso 1 1 calc R U . . .
C31 C 1.3372(10) 0.8579(8) 0.9989(4) 0.0368(17) Uani 1 1 d . . . . .
H31 H 1.381483 0.883647 1.046457 0.044 Uiso 1 1 calc R U . . .
C32 C 1.2936(10) 0.9530(8) 0.9652(3) 0.0320(16) Uani 1 1 d . . . . .
H32 H 1.308236 1.044902 0.989060 0.038 Uiso 1 1 calc R U . . .
C33 C 1.2280(9) 0.9130(7) 0.8960(3) 0.0245(15) Uani 1 1 d . . . . .
C34 C 1.1741(9) 1.0033(7) 0.8532(4) 0.0255(15) Uani 1 1 d . . . . .
C35 C 1.1704(10) 1.1389(7) 0.8779(4) 0.0314(15) Uani 1 1 d . . . . .
H35 H 1.204464 1.180821 0.925243 0.038 Uiso 1 1 calc R U . . .
C36 C 1.1160(10) 1.2116(7) 0.8321(4) 0.0333(16) Uani 1 1 d . . . . .
H36 H 1.111694 1.304463 0.847829 0.040 Uiso 1 1 calc R U . . .
C37 C 1.0678(10) 1.1487(7) 0.7633(4) 0.0331(16) Uani 1 1 d . . . . .
H37 H 1.032796 1.198095 0.731243 0.040 Uiso 1 1 calc R U . . .
C38 C 1.0713(9) 1.0128(7) 0.7420(3) 0.0280(15) Uani 1 1 d . . . . .
H38 H 1.034495 0.968283 0.695162 0.034 Uiso 1 1 calc R U . . .
C39 C 0.7428(10) 0.6621(7) 0.8718(4) 0.0295(15) Uani 1 1 d . . . . .
H39 H 0.731195 0.578248 0.839537 0.035 Uiso 1 1 calc R U . . .
C40 C 0.7982(10) 0.6710(7) 0.9395(3) 0.0306(15) Uani 1 1 d . . . . .
H40 H 0.822460 0.593332 0.954049 0.037 Uiso 1 1 calc R U . . .
C41 C 0.8190(10) 0.7933(8) 0.9871(3) 0.0305(16) Uani 1 1 d . . . . .
H41 H 0.858723 0.800915 1.034155 0.037 Uiso 1 1 calc R U . . .
C42 C 0.7803(10) 0.9049(7) 0.9641(3) 0.0269(14) Uani 1 1 d . . . . .
H42 H 0.794614 0.990084 0.995519 0.032 Uiso 1 1 calc R U . . .
C43 C 0.7212(9) 0.8911(7) 0.8957(3) 0.0215(14) Uani 1 1 d . . . . .
C44 C 0.6766(9) 1.0005(7) 0.8649(3) 0.0223(14) Uani 1 1 d . . . . .
C45 C 0.6785(10) 1.1304(7) 0.9007(3) 0.0279(15) Uani 1 1 d . . . . .
H45 H 0.711618 1.155970 0.949056 0.034 Uiso 1 1 calc R U . . .
C46 C 0.6314(10) 1.2230(7) 0.8652(4) 0.0332(16) Uani 1 1 d . . . . .
H46 H 0.630370 1.312746 0.889105 0.040 Uiso 1 1 calc R U . . .
C47 C 0.5860(10) 1.1844(7) 0.7950(4) 0.0311(15) Uani 1 1 d . . . . .
H47 H 0.555253 1.247489 0.769961 0.037 Uiso 1 1 calc R U . . .
C48 C 0.5859(9) 1.0528(7) 0.7614(3) 0.0271(14) Uani 1 1 d . . . . .
H48 H 0.554564 1.026504 0.712947 0.033 Uiso 1 1 calc R U . . .
N1 N 0.4750(10) 0.2284(7) 0.3430(4) 0.0247(16) Uani 1 1 d . . . . .
N2 N 0.4359(9) 0.4205(7) 0.2827(3) 0.0225(14) Uani 1 1 d . . . . .
N3 N 0.0156(10) 0.3459(8) 0.3595(4) 0.0244(15) Uani 1 1 d . . . . .
N4 N -0.0185(9) 0.5445(7) 0.3038(3) 0.0248(14) Uani 1 1 d . . . . .
N5 N 1.2056(10) 0.7820(8) 0.8608(4) 0.0256(17) Uani 1 1 d . . . . .
N6 N 1.1261(8) 0.9423(7) 0.7865(3) 0.0229(14) Uani 1 1 d . . . . .
N7 N 0.7041(9) 0.7713(7) 0.8500(4) 0.0201(15) Uani 1 1 d . . . . .
N8 N 0.6287(9) 0.9608(7) 0.7952(3) 0.0234(13) Uani 1 1 d . . . . .
O1 O 0.2668(8) 0.0185(6) 0.2189(3) 0.0299(13) Uani 1 1 d . . . . .
O2 O 0.0499(8) -0.1340(5) 0.1446(2) 0.0368(12) Uani 1 1 d . . . . .
O3 O 0.2310(8) 0.2175(6) 0.1579(3) 0.0261(14) Uani 1 1 d . . . . .
O4 O -0.1126(8) 0.1463(6) 0.2250(3) 0.0285(13) Uani 1 1 d . . . . .
O5 O -0.1504(9) 0.3480(7) 0.1660(3) 0.0321(15) Uani 1 1 d . . . . .
O6 O -0.1757(9) 0.2213(6) 0.0604(3) 0.0470(15) Uani 1 1 d . . . . .
O7 O 1.0825(8) 0.5402(6) 0.7390(3) 0.0332(14) Uani 1 1 d . . . . .
O8 O 0.9430(9) 0.3569(6) 0.6585(3) 0.0460(15) Uani 1 1 d . . . . .
O9 O 1.0102(8) 0.7108(6) 0.6635(3) 0.0249(13) Uani 1 1 d . . . . .
O10 O 0.6599(7) 0.5810(5) 0.7128(2) 0.0233(11) Uani 1 1 d . . . . .
O11 O 0.5917(9) 0.7746(6) 0.6524(3) 0.0269(14) Uani 1 1 d . . . . .
O12 O 0.6398(8) 0.6661(5) 0.5490(2) 0.0362(12) Uani 1 1 d . . . . .
O1S O 0.3406(9) 0.2895(6) 0.0411(3) 0.0564(16) Uani 1 1 d . . . . .
H1SA H 0.279782 0.268131 0.074474 0.085 Uiso 1 1 d R U . . .
H1SB H 0.279512 0.336642 0.019954 0.085 Uiso 1 1 d R U . . .
O2S O 0.6872(10) 0.4740(8) 0.0578(4) 0.083(2) Uani 1 1 d . . . . .
H2SA H 0.571799 0.447239 0.038366 0.124 Uiso 1 1 d R U . . .
H2SB H 0.730299 0.404419 0.065016 0.124 Uiso 1 1 d R U . . .
O3S O 0.5866(10) 0.7121(7) 0.1153(3) 0.068(2) Uani 1 1 d . . . . .
H3SA H 0.619422 0.633925 0.106037 0.102 Uiso 1 1 d R U . . .
H3SB H 0.630432 0.754384 0.157297 0.102 Uiso 1 1 d R U . . .
O4S O 0.2085(9) 0.6352(6) 0.1250(3) 0.0492(15) Uani 1 1 d . . . . .
H4SA H 0.144481 0.697795 0.137439 0.074 Uiso 1 1 d R U . . .
H4SB H 0.317471 0.671815 0.114729 0.074 Uiso 1 1 d R U . . .
O5S O 0.0741(10) 0.4336(7) 0.0010(3) 0.0656(18) Uani 1 1 d . . . . .
H5SA H 0.019453 0.486912 0.028958 0.098 Uiso 1 1 d R U . . .
H5SB H 0.019983 0.349622 -0.001692 0.098 Uiso 1 1 d R U . . .
O6S O 0.6229(8) 0.9316(5) 0.2343(3) 0.0423(13) Uani 1 1 d . . . . .
H6SA H 0.541024 0.981893 0.230583 0.063 Uiso 1 1 d R U . . .
H6SB H 0.734914 0.976913 0.231893 0.063 Uiso 1 1 d R U . . .
O7S O 0.3823(7) 0.4079(5) 0.7473(3) 0.0376(12) Uani 1 1 d . . . . .
H7SA H 0.289002 0.449104 0.744974 0.056 Uiso 1 1 d R U . . .
H7SB H 0.482842 0.456464 0.736984 0.056 Uiso 1 1 d R U . . .
O8S O 0.3427(9) 0.2330(6) 0.6131(3) 0.0526(16) Uani 1 1 d . . . . .
H8SA H 0.320639 0.292973 0.647587 0.079 Uiso 1 1 d R U . . .
H8SB H 0.411128 0.182313 0.628176 0.079 Uiso 1 1 d R U . . .
O9S O 0.1162(8) -0.0026(6) 0.5368(3) 0.0514(15) Uani 1 1 d . . . . .
H9SA H 0.162819 0.010380 0.499289 0.077 Uiso 1 1 d R U . . .
H9SB H 0.147669 0.071840 0.568599 0.077 Uiso 1 1 d R U . . .
O10S O 0.2495(7) 0.7931(5) 0.5789(2) 0.0334(11) Uani 1 1 d . . . . .
H10A H 0.171309 0.766039 0.606563 0.050 Uiso 1 1 d R U . . .
H10B H 0.214529 0.858819 0.563803 0.050 Uiso 1 1 d R U . . .
O11S O 0.6595(8) 0.1262(6) 0.6170(3) 0.0466(14) Uani 1 1 d . . . . .
H11A H 0.693446 0.054055 0.594828 0.070 Uiso 1 1 d R U . . .
H11B H 0.718315 0.150905 0.658428 0.070 Uiso 1 1 d R U . . .
O12S O 0.7278(8) 0.9202(6) 0.5127(3) 0.0460(14) Uani 1 1 d . . . . .
H12A H 0.843163 0.927779 0.502693 0.069 Uiso 1 1 d R U . . .
H12B H 0.684613 0.837891 0.516523 0.069 Uiso 1 1 d R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 1.982(7) . ?
Pt1 N1 1.983(7) . ?
Pt1 O3 1.989(6) . ?
Pt1 O1 2.016(6) . ?
Pt2 N3 1.978(8) . ?
Pt2 O4 1.990(6) . ?
Pt2 N4 1.997(7) . ?
Pt2 O5 2.009(6) . ?
Pt3 N6 1.988(7) . ?
Pt3 N5 1.988(7) . ?
Pt3 O9 1.989(6) . ?
Pt3 O7 2.014(6) . ?
Pt4 N7 1.977(7) . ?
Pt4 N8 1.983(7) . ?
Pt4 O10 1.990(5) . ?
Pt4 O11 2.021(6) . ?
C1 O2 1.230(9) . ?
C1 O1 1.299(8) . ?
C1 C2 1.517(9) . ?
C2 O3 1.409(9) . ?
C2 C3 1.555(10) . ?
C2 H2 1.0000 . ?
C3 O4 1.404(8) . ?
C3 C4 1.513(10) . ?
C3 H3 1.0000 . ?
C4 O6 1.230(8) . ?
C4 O5 1.306(10) . ?
C5 N1 1.344(10) . ?
C5 C6 1.395(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.394(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.380(9) . ?
C8 H8 0.9500 . ?
C9 N1 1.360(10) . ?
C9 C10 1.460(9) . ?
C10 N2 1.369(9) . ?
C10 C11 1.395(10) . ?
C11 C12 1.392(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.385(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.376(10) . ?
C13 H13 0.9500 . ?
C14 N2 1.340(9) . ?
C14 H14 0.9500 . ?
C15 N3 1.353(10) . ?
C15 C16 1.368(10) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.392(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.380(9) . ?
C18 H18 0.9500 . ?
C19 N3 1.350(10) . ?
C19 C20 1.477(10) . ?
C20 N4 1.373(9) . ?
C20 C21 1.382(11) . ?
C21 C22 1.395(10) . ?
C21 H21 0.9500 . ?
C22 C23 1.379(10) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(11) . ?
C23 H23 0.9500 . ?
C24 N4 1.333(9) . ?
C24 H24 0.9500 . ?
C25 O8 1.238(10) . ?
C25 O7 1.324(9) . ?
C25 C26 1.510(10) . ?
C26 O9 1.407(9) . ?
C26 C27 1.540(10) . ?
C26 H26 1.0000 . ?
C27 O10 1.412(8) . ?
C27 C28 1.526(9) . ?
C27 H27 1.0000 . ?
C28 O12 1.227(8) . ?
C28 O11 1.309(9) . ?
C29 N5 1.356(10) . ?
C29 C30 1.373(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.389(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.373(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.384(10) . ?
C32 H32 0.9500 . ?
C33 N5 1.360(10) . ?
C33 C34 1.477(9) . ?
C34 N6 1.343(9) . ?
C34 C35 1.387(10) . ?
C35 C36 1.384(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.382(10) . ?
C37 H37 0.9500 . ?
C38 N6 1.348(8) . ?
C38 H38 0.9500 . ?
C39 N7 1.361(10) . ?
C39 C40 1.367(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.387(10) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(10) . ?
C41 H41 0.9500 . ?
C42 C43 1.377(9) . ?
C42 H42 0.9500 . ?
C43 N7 1.353(10) . ?
C43 C44 1.471(9) . ?
C44 N8 1.370(8) . ?
C44 C45 1.378(10) . ?
C45 C46 1.383(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.378(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.382(10) . ?
C47 H47 0.9500 . ?
C48 N8 1.346(9) . ?
C48 H48 0.9500 . ?
O1S H1SA 0.8699 . ?
O1S H1SB 0.8700 . ?
O2S H2SA 0.8700 . ?
O2S H2SB 0.8701 . ?
O3S H3SA 0.8700 . ?
O3S H3SB 0.8698 . ?
O4S H4SA 0.8701 . ?
O4S H4SB 0.8700 . ?
O5S H5SA 0.8700 . ?
O5S H5SB 0.8700 . ?
O6S H6SA 0.8701 . ?
O6S H6SB 0.8700 . ?
O7S H7SA 0.8700 . ?
O7S H7SB 0.8700 . ?
O8S H8SA 0.8701 . ?
O8S H8SB 0.8701 . ?
O9S H9SA 0.8700 . ?
O9S H9SB 0.8700 . ?
O10S H10A 0.8699 . ?
O10S H10B 0.8700 . ?
O11S H11A 0.8700 . ?
O11S H11B 0.8700 . ?
O12S H12A 0.8700 . ?
O12S H12B 0.8700 . ?

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 N1 81.1(3) . . ?
N2 Pt1 O3 97.9(3) . . ?
N1 Pt1 O3 178.2(3) . . ?
N2 Pt1 O1 177.8(3) . . ?
N1 Pt1 O1 98.3(3) . . ?
O3 Pt1 O1 82.7(2) . . ?
N3 Pt2 O4 98.0(3) . . ?
N3 Pt2 N4 80.7(3) . . ?
O4 Pt2 N4 177.9(3) . . ?
N3 Pt2 O5 178.3(3) . . ?
O4 Pt2 O5 82.9(2) . . ?
N4 Pt2 O5 98.4(3) . . ?
N6 Pt3 N5 80.3(3) . . ?
N6 Pt3 O9 97.7(2) . . ?
N5 Pt3 O9 177.8(3) . . ?
N6 Pt3 O7 177.5(3) . . ?
N5 Pt3 O7 99.1(3) . . ?
O9 Pt3 O7 82.9(2) . . ?
N7 Pt4 N8 80.5(3) . . ?
N7 Pt4 O10 97.4(2) . . ?
N8 Pt4 O10 177.9(3) . . ?
N7 Pt4 O11 177.3(3) . . ?
N8 Pt4 O11 99.4(2) . . ?
O10 Pt4 O11 82.6(2) . . ?
O2 C1 O1 123.0(7) . . ?
O2 C1 C2 121.0(6) . . ?
O1 C1 C2 116.1(6) . . ?
O3 C2 C1 112.3(6) . . ?
O3 C2 C3 112.0(6) . . ?
C1 C2 C3 108.3(6) . . ?
O3 C2 H2 108.0 . . ?
C1 C2 H2 108.0 . . ?
C3 C2 H2 108.0 . . ?
O4 C3 C4 112.4(6) . . ?
O4 C3 C2 110.7(5) . . ?
C4 C3 C2 107.6(6) . . ?
O4 C3 H3 108.7 . . ?
C4 C3 H3 108.7 . . ?
C2 C3 H3 108.7 . . ?
O6 C4 O5 121.9(7) . . ?
O6 C4 C3 121.5(7) . . ?
O5 C4 C3 116.6(6) . . ?
N1 C5 C6 121.7(7) . . ?
N1 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C7 C6 C5 119.2(7) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C8 118.8(6) . . ?
C6 C7 H7 120.6 . . ?
C8 C7 H7 120.6 . . ?
C9 C8 C7 119.5(7) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
N1 C9 C8 121.6(7) . . ?
N1 C9 C10 113.6(6) . . ?
C8 C9 C10 124.8(7) . . ?
N2 C10 C11 120.5(6) . . ?
N2 C10 C9 114.7(6) . . ?
C11 C10 C9 124.8(6) . . ?
C12 C11 C10 119.1(6) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C13 C12 C11 119.0(7) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
C14 C13 C12 120.1(7) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
N2 C14 C13 121.3(6) . . ?
N2 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
N3 C15 C16 121.2(7) . . ?
N3 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C15 C16 C17 120.3(7) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 118.6(7) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C19 C18 C17 118.6(7) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
N3 C19 C18 122.3(7) . . ?
N3 C19 C20 113.4(6) . . ?
C18 C19 C20 124.3(6) . . ?
N4 C20 C21 121.0(7) . . ?
N4 C20 C19 114.1(6) . . ?
C21 C20 C19 124.9(6) . . ?
C20 C21 C22 118.7(7) . . ?
C20 C21 H21 120.6 . . ?
C22 C21 H21 120.6 . . ?
C23 C22 C21 119.9(7) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 118.9(7) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
N4 C24 C23 121.8(7) . . ?
N4 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
O8 C25 O7 120.9(7) . . ?
O8 C25 C26 122.8(7) . . ?
O7 C25 C26 116.2(6) . . ?
O9 C26 C25 111.9(6) . . ?
O9 C26 C27 110.7(6) . . ?
C25 C26 C27 109.1(6) . . ?
O9 C26 H26 108.4 . . ?
C25 C26 H26 108.4 . . ?
C27 C26 H26 108.4 . . ?
O10 C27 C28 111.9(5) . . ?
O10 C27 C26 110.8(5) . . ?
C28 C27 C26 107.2(6) . . ?
O10 C27 H27 108.9 . . ?
C28 C27 H27 108.9 . . ?
C26 C27 H27 108.9 . . ?
O12 C28 O11 122.2(7) . . ?
O12 C28 C27 121.4(6) . . ?
O11 C28 C27 116.4(6) . . ?
N5 C29 C30 122.1(7) . . ?
N5 C29 H29 118.9 . . ?
C30 C29 H29 118.9 . . ?
C29 C30 C31 118.6(7) . . ?
C29 C30 H30 120.7 . . ?
C31 C30 H30 120.7 . . ?
C32 C31 C30 120.0(7) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 119.0(7) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
N5 C33 C32 121.5(7) . . ?
N5 C33 C34 113.4(6) . . ?
C32 C33 C34 125.2(7) . . ?
N6 C34 C35 121.5(7) . . ?
N6 C34 C33 113.9(6) . . ?
C35 C34 C33 124.6(7) . . ?
C36 C35 C34 118.6(7) . . ?
C36 C35 H35 120.7 . . ?
C34 C35 H35 120.7 . . ?
C37 C36 C35 119.8(7) . . ?
C37 C36 H36 120.1 . . ?
C35 C36 H36 120.1 . . ?
C38 C37 C36 119.0(6) . . ?
C38 C37 H37 120.5 . . ?
C36 C37 H37 120.5 . . ?
N6 C38 C37 121.3(7) . . ?
N6 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
N7 C39 C40 121.0(7) . . ?
N7 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C39 C40 C41 120.1(7) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C40 C41 C42 118.4(6) . . ?
C40 C41 H41 120.8 . . ?
C42 C41 H41 120.8 . . ?
C43 C42 C41 119.8(6) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
N7 C43 C42 120.9(7) . . ?
N7 C43 C44 113.8(6) . . ?
C42 C43 C44 125.2(6) . . ?
N8 C44 C45 121.7(6) . . ?
N8 C44 C43 113.3(6) . . ?
C45 C44 C43 125.0(6) . . ?
C44 C45 C46 119.0(6) . . ?
C44 C45 H45 120.5 . . ?
C46 C45 H45 120.5 . . ?
C47 C46 C45 119.6(6) . . ?
C47 C46 H46 120.2 . . ?
C45 C46 H46 120.2 . . ?
C46 C47 C48 119.2(6) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
N8 C48 C47 122.0(6) . . ?
N8 C48 H48 119.0 . . ?
C47 C48 H48 119.0 . . ?
C5 N1 C9 119.2(7) . . ?
C5 N1 Pt1 125.0(6) . . ?
C9 N1 Pt1 115.8(6) . . ?
C14 N2 C10 120.1(6) . . ?
C14 N2 Pt1 125.0(5) . . ?
C10 N2 Pt1 114.8(5) . . ?
C19 N3 C15 119.0(7) . . ?
C19 N3 Pt2 116.8(6) . . ?
C15 N3 Pt2 124.0(6) . . ?
C24 N4 C20 119.7(7) . . ?
C24 N4 Pt2 125.4(5) . . ?
C20 N4 Pt2 114.9(5) . . ?
C29 N5 C33 118.7(7) . . ?
C29 N5 Pt3 125.4(6) . . ?
C33 N5 Pt3 115.9(5) . . ?
C34 N6 C38 119.9(7) . . ?
C34 N6 Pt3 116.2(5) . . ?
C38 N6 Pt3 123.4(5) . . ?
C43 N7 C39 119.8(7) . . ?
C43 N7 Pt4 116.3(5) . . ?
C39 N7 Pt4 123.7(5) . . ?
C48 N8 C44 118.5(6) . . ?
C48 N8 Pt4 125.6(5) . . ?
C44 N8 Pt4 115.8(5) . . ?
C1 O1 Pt1 112.6(4) . . ?
C2 O3 Pt1 109.1(4) . . ?
C3 O4 Pt2 110.2(4) . . ?
C4 O5 Pt2 112.5(5) . . ?
C25 O7 Pt3 112.4(5) . . ?
C26 O9 Pt3 110.3(5) . . ?
C27 O10 Pt4 110.7(4) . . ?
C28 O11 Pt4 112.7(5) . . ?
H1SA O1S H1SB 109.5 . . ?
H2SA O2S H2SB 109.5 . . ?
H3SA O3S H3SB 109.5 . . ?
H4SA O4S H4SB 109.5 . . ?
H5SA O5S H5SB 109.5 . . ?
H6SA O6S H6SB 109.5 . . ?
H7SA O7S H7SB 109.5 . . ?
H8SA O8S H8SB 109.5 . . ?
H9SA O9S H9SB 109.5 . . ?
H10A O10S H10B 109.5 . . ?
H11A O11S H11B 109.5 . . ?
H12A O12S H12B 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
O2 C1 C2 O3 -167.4(7) . . . . ?
O1 C1 C2 O3 14.9(9) . . . . ?
O2 C1 C2 C3 68.4(8) . . . . ?
O1 C1 C2 C3 -109.3(7) . . . . ?
O3 C2 C3 O4 -67.9(7) . . . . ?
C1 C2 C3 O4 56.4(7) . . . . ?
O3 C2 C3 C4 55.2(7) . . . . ?
C1 C2 C3 C4 179.6(5) . . . . ?
O4 C3 C4 O6 -169.0(7) . . . . ?
C2 C3 C4 O6 68.9(9) . . . . ?
O4 C3 C4 O5 11.7(10) . . . . ?
C2 C3 C4 O5 -110.4(8) . . . . ?
N1 C5 C6 C7 -1.8(12) . . . . ?
C5 C6 C7 C8 1.9(11) . . . . ?
C6 C7 C8 C9 -1.4(11) . . . . ?
C7 C8 C9 N1 0.9(11) . . . . ?
C7 C8 C9 C10 178.6(7) . . . . ?
N1 C9 C10 N2 -1.3(9) . . . . ?
C8 C9 C10 N2 -179.1(6) . . . . ?
N1 C9 C10 C11 177.7(7) . . . . ?
C8 C9 C10 C11 -0.2(11) . . . . ?
N2 C10 C11 C12 0.1(11) . . . . ?
C9 C10 C11 C12 -178.8(7) . . . . ?
C10 C11 C12 C13 -0.6(11) . . . . ?
C11 C12 C13 C14 1.5(12) . . . . ?
C12 C13 C14 N2 -1.9(12) . . . . ?
N3 C15 C16 C17 -2.5(12) . . . . ?
C15 C16 C17 C18 2.1(11) . . . . ?
C16 C17 C18 C19 -0.4(11) . . . . ?
C17 C18 C19 N3 -0.9(11) . . . . ?
C17 C18 C19 C20 179.8(7) . . . . ?
N3 C19 C20 N4 -2.4(9) . . . . ?
C18 C19 C20 N4 177.0(6) . . . . ?
N3 C19 C20 C21 178.4(7) . . . . ?
C18 C19 C20 C21 -2.2(12) . . . . ?
N4 C20 C21 C22 0.0(11) . . . . ?
C19 C20 C21 C22 179.2(7) . . . . ?
C20 C21 C22 C23 -0.7(12) . . . . ?
C21 C22 C23 C24 0.6(12) . . . . ?
C22 C23 C24 N4 0.1(12) . . . . ?
O8 C25 C26 O9 -165.4(8) . . . . ?
O7 C25 C26 O9 17.1(9) . . . . ?
O8 C25 C26 C27 71.8(9) . . . . ?
O7 C25 C26 C27 -105.7(7) . . . . ?
O9 C26 C27 O10 -72.8(7) . . . . ?
C25 C26 C27 O10 50.8(7) . . . . ?
O9 C26 C27 C28 49.6(7) . . . . ?
C25 C26 C27 C28 173.2(5) . . . . ?
O10 C27 C28 O12 -170.1(6) . . . . ?
C26 C27 C28 O12 68.2(8) . . . . ?
O10 C27 C28 O11 10.4(9) . . . . ?
C26 C27 C28 O11 -111.3(7) . . . . ?
N5 C29 C30 C31 -1.1(11) . . . . ?
C29 C30 C31 C32 0.0(11) . . . . ?
C30 C31 C32 C33 0.5(11) . . . . ?
C31 C32 C33 N5 0.1(11) . . . . ?
C31 C32 C33 C34 179.5(7) . . . . ?
N5 C33 C34 N6 -4.6(9) . . . . ?
C32 C33 C34 N6 176.0(7) . . . . ?
N5 C33 C34 C35 174.9(7) . . . . ?
C32 C33 C34 C35 -4.5(11) . . . . ?
N6 C34 C35 C36 -0.1(11) . . . . ?
C33 C34 C35 C36 -179.6(6) . . . . ?
C34 C35 C36 C37 -0.3(11) . . . . ?
C35 C36 C37 C38 1.4(11) . . . . ?
C36 C37 C38 N6 -2.0(11) . . . . ?
N7 C39 C40 C41 -1.2(11) . . . . ?
C39 C40 C41 C42 0.7(11) . . . . ?
C40 C41 C42 C43 0.6(11) . . . . ?
C41 C42 C43 N7 -1.5(11) . . . . ?
C41 C42 C43 C44 -179.7(6) . . . . ?
N7 C43 C44 N8 -0.9(9) . . . . ?
C42 C43 C44 N8 177.4(7) . . . . ?
N7 C43 C44 C45 178.2(7) . . . . ?
C42 C43 C44 C45 -3.5(11) . . . . ?
N8 C44 C45 C46 -0.3(10) . . . . ?
C43 C44 C45 C46 -179.2(6) . . . . ?
C44 C45 C46 C47 -0.8(11) . . . . ?
C45 C46 C47 C48 0.9(11) . . . . ?
C46 C47 C48 N8 0.0(11) . . . . ?
C6 C5 N1 C9 1.3(11) . . . . ?
C6 C5 N1 Pt1 -176.9(6) . . . . ?
C8 C9 N1 C5 -0.9(11) . . . . ?
C10 C9 N1 C5 -178.8(6) . . . . ?
C8 C9 N1 Pt1 177.5(5) . . . . ?
C10 C9 N1 Pt1 -0.4(8) . . . . ?
C13 C14 N2 C10 1.3(11) . . . . ?
C13 C14 N2 Pt1 177.1(6) . . . . ?
C11 C10 N2 C14 -0.4(10) . . . . ?
C9 C10 N2 C14 178.6(6) . . . . ?
C11 C10 N2 Pt1 -176.6(5) . . . . ?
C9 C10 N2 Pt1 2.4(7) . . . . ?
C18 C19 N3 C15 0.5(11) . . . . ?
C20 C19 N3 C15 179.9(7) . . . . ?
C18 C19 N3 Pt2 -175.7(5) . . . . ?
C20 C19 N3 Pt2 3.7(8) . . . . ?
C16 C15 N3 C19 1.2(11) . . . . ?
C16 C15 N3 Pt2 177.2(6) . . . . ?
C23 C24 N4 C20 -0.8(11) . . . . ?
C23 C24 N4 Pt2 -179.2(6) . . . . ?
C21 C20 N4 C24 0.7(11) . . . . ?
C19 C20 N4 C24 -178.5(7) . . . . ?
C21 C20 N4 Pt2 179.3(6) . . . . ?
C19 C20 N4 Pt2 0.1(8) . . . . ?
C30 C29 N5 C33 1.6(11) . . . . ?
C30 C29 N5 Pt3 -179.5(6) . . . . ?
C32 C33 N5 C29 -1.1(11) . . . . ?
C34 C33 N5 C29 179.4(6) . . . . ?
C32 C33 N5 Pt3 179.9(5) . . . . ?
C34 C33 N5 Pt3 0.5(8) . . . . ?
C35 C34 N6 C38 -0.5(10) . . . . ?
C33 C34 N6 C38 179.0(6) . . . . ?
C35 C34 N6 Pt3 -172.9(5) . . . . ?
C33 C34 N6 Pt3 6.7(8) . . . . ?
C37 C38 N6 C34 1.6(10) . . . . ?
C37 C38 N6 Pt3 173.4(5) . . . . ?
C42 C43 N7 C39 1.1(10) . . . . ?
C44 C43 N7 C39 179.4(6) . . . . ?
C42 C43 N7 Pt4 -174.2(5) . . . . ?
C44 C43 N7 Pt4 4.2(8) . . . . ?
C40 C39 N7 C43 0.3(11) . . . . ?
C40 C39 N7 Pt4 175.2(5) . . . . ?
C47 C48 N8 C44 -1.1(10) . . . . ?
C47 C48 N8 Pt4 -177.7(5) . . . . ?
C45 C44 N8 C48 1.2(10) . . . . ?
C43 C44 N8 C48 -179.7(6) . . . . ?
C45 C44 N8 Pt4 178.1(5) . . . . ?
C43 C44 N8 Pt4 -2.8(7) . . . . ?
O2 C1 O1 Pt1 -172.1(6) . . . . ?
C2 C1 O1 Pt1 5.5(8) . . . . ?
C1 C2 O3 Pt1 -27.3(7) . . . . ?
C3 C2 O3 Pt1 94.8(5) . . . . ?
C4 C3 O4 Pt2 -23.1(7) . . . . ?
C2 C3 O4 Pt2 97.2(5) . . . . ?
O6 C4 O5 Pt2 -173.3(7) . . . . ?
C3 C4 O5 Pt2 6.0(9) . . . . ?
O8 C25 O7 Pt3 -176.2(6) . . . . ?
C26 C25 O7 Pt3 1.3(8) . . . . ?
C25 C26 O9 Pt3 -26.6(7) . . . . ?
C27 C26 O9 Pt3 95.3(6) . . . . ?
C28 C27 O10 Pt4 -23.1(7) . . . . ?
C26 C27 O10 Pt4 96.5(5) . . . . ?
O12 C28 O11 Pt4 -171.9(6) . . . . ?
C27 C28 O11 Pt4 7.6(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
O1S H1SA O3 0.87 1.89 2.724(8) 160.4 .
O1S H1SB O5S 0.87 2.01 2.827(9) 157.0 .
O2S H2SA O1S 0.87 2.12 2.813(10) 135.9 .
O2S H2SB O5 0.87 2.37 3.034(9) 132.9 1_655
O2S H2SB O6 0.87 2.11 2.970(9) 168.2 1_655
O3S H3SA O2S 0.87 1.90 2.737(10) 162.0 .
O3S H3SB O6S 0.87 2.14 2.880(8) 142.4 .
O4S H4SA O2 0.87 1.97 2.803(7) 161.1 1_565
O4S H4SB O3S 0.87 1.92 2.750(9) 158.1 .
O5S H5SA O2S 0.87 2.51 3.175(10) 133.7 1_455
O5S H5SA O4S 0.87 2.35 2.859(8) 117.3 .
O5S H5SB O6 0.87 2.36 3.067(9) 139.1 .
O6S H6SA O1 0.87 2.11 2.915(8) 154.3 1_565
O6S H6SB O4 0.87 1.92 2.696(8) 147.2 1_665
O7S H7SA O7 0.87 1.93 2.797(7) 179.6 1_455
O7S H7SB O10 0.87 1.81 2.666(7) 168.1 .
O8S H8SA O7S 0.87 2.07 2.867(8) 152.2 .
O8S H8SB O11S 0.87 2.01 2.740(8) 140.5 .
O9S H9SB O8S 0.87 1.97 2.748(9) 147.7 .
O10S H10A O9 0.87 1.79 2.662(7) 179.8 1_455
O10S H10B O9S 0.87 1.87 2.739(7) 173.6 1_565
O11S H11A O12S 0.87 1.98 2.792(8) 155.8 1_545
O12S H12A O9S 0.87 2.00 2.769(8) 146.6 1_665
O12S H12B O12 0.87 1.99 2.837(8) 163.6 .

_refine_diff_density_max         1.072
_refine_diff_density_min         -1.022
_refine_diff_density_rms         0.088

