# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

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

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc1ytdy3
_database_code_depnum_ccdc_archive 'CCDC 1811886'
_audit_update_record             
;
2018-04-10 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          501
_chemical_formula_moiety         'C19 H20 N2 O Pt S'
_chemical_formula_sum            'C19 H20 N2 O Pt S'
_chemical_formula_weight         519.52

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   8.1277(16)
_cell_length_b                   10.499(2)
_cell_length_c                   11.580(2)
_cell_angle_alpha                73.55(3)
_cell_angle_beta                 82.97(3)
_cell_angle_gamma                73.60(3)
_cell_volume                     908.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    4359
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.14

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.900
_exptl_crystal_F_000             500
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.103
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    7.847
_shelx_estimated_absorpt_T_min   0.406
_shelx_estimated_absorpt_T_max   0.695
_exptl_absorpt_correction_type   Numerical
_exptl_absorpt_correction_T_min  0.3422
_exptl_absorpt_correction_T_max  0.6292
_exptl_absorpt_process_details   face-index
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   
'sealed X-ray tube, 12 x 0.4 mm long-fine focus'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       rotation
_diffrn_detector_area_resol_mean 6.67
_diffrn_reflns_number            6439
_diffrn_reflns_av_unetI/netI     0.1249
_diffrn_reflns_av_R_equivalents  0.0775
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.615
_diffrn_reflns_theta_max         24.991
_diffrn_reflns_theta_full        24.991
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.984
_reflns_number_total             3157
_reflns_number_gt                2136
_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       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    xt
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_molecular_graphics    xp
_computing_publication_material  shelxtl
_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)+(0.0370P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3157
_refine_ls_number_parameters     220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0831
_refine_ls_R_factor_gt           0.0475
_refine_ls_wR_factor_ref         0.0969
_refine_ls_wR_factor_gt          0.0897
_refine_ls_goodness_of_fit_ref   0.877
_refine_ls_restrained_S_all      0.877
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C18 C 0.9673(15) -0.1505(13) 0.8243(12) 0.067(4) Uani 1 1 d . . . . .
H18A H 1.007396 -0.069646 0.811125 0.101 Uiso 1 1 calc R U . . .
H18B H 0.967955 -0.171616 0.748810 0.101 Uiso 1 1 calc R U . . .
H18C H 1.041242 -0.226394 0.877894 0.101 Uiso 1 1 calc R U . . .
C19 C 0.7851(16) -0.0648(15) 1.0151(12) 0.074(4) Uani 1 1 d . . . . .
H19A H 0.875398 -0.132735 1.061699 0.111 Uiso 1 1 calc R U . . .
H19B H 0.681072 -0.052445 1.064642 0.111 Uiso 1 1 calc R U . . .
H19C H 0.816292 0.020810 0.986526 0.111 Uiso 1 1 calc R U . . .
C6 C 0.3343(14) 0.0058(13) 0.6124(10) 0.048(3) Uani 1 1 d . . . . .
C5 C 0.3151(14) 0.1537(12) 0.5773(10) 0.047(3) Uani 1 1 d . . . . .
C4 C 0.1860(16) 0.3794(14) 0.4639(12) 0.066(4) Uani 1 1 d . . . . .
H4 H 0.109043 0.437764 0.406373 0.079 Uiso 1 1 calc R U . . .
C3 C 0.2816(18) 0.4330(13) 0.5178(12) 0.067(4) Uani 1 1 d . . . . .
H3 H 0.270044 0.527279 0.496900 0.080 Uiso 1 1 calc R U . . .
C2 C 0.3971(16) 0.3446(13) 0.6050(12) 0.061(3) Uani 1 1 d . . . . .
H2 H 0.460424 0.382836 0.641041 0.073 Uiso 1 1 calc R U . . .
C1 C 0.4217(17) 0.2015(13) 0.6404(12) 0.062(4) Uani 1 1 d . . . . .
C7 C 0.2531(14) -0.0672(13) 0.5670(11) 0.053(3) Uani 1 1 d . . . . .
H7 H 0.173900 -0.021523 0.507562 0.064 Uiso 1 1 calc R U . . .
C8 C 0.2902(17) -0.2099(15) 0.6104(13) 0.066(4) Uani 1 1 d . . . . .
H8 H 0.235776 -0.259904 0.580311 0.079 Uiso 1 1 calc R U . . .
C9 C 0.4050(19) -0.2744(14) 0.6958(13) 0.069(4) Uani 1 1 d . . . . .
H9 H 0.429259 -0.369393 0.726685 0.083 Uiso 1 1 calc R U . . .
C10 C 0.4864(15) -0.1990(12) 0.7373(12) 0.057(3) Uani 1 1 d . . . . .
H10 H 0.566860 -0.243633 0.795945 0.068 Uiso 1 1 calc R U . . .
C11 C 0.6802(15) 0.1977(12) 0.7896(11) 0.050(3) Uani 1 1 d . . . . .
C12 C 0.8396(14) 0.2164(12) 0.7293(11) 0.054(3) Uani 1 1 d . . . . .
H12 H 0.891153 0.167033 0.673394 0.064 Uiso 1 1 calc R U . . .
C13 C 0.9180(17) 0.3067(13) 0.7529(11) 0.057(3) Uani 1 1 d . . . . .
H13 H 1.020603 0.317966 0.711490 0.068 Uiso 1 1 calc R U . . .
C14 C 0.850(2) 0.3779(14) 0.8334(13) 0.069(4) Uani 1 1 d . . . . .
C15 C 0.693(2) 0.3638(15) 0.8941(13) 0.081(4) Uani 1 1 d . . . . .
H15 H 0.643686 0.412921 0.950653 0.097 Uiso 1 1 calc R U . . .
C16 C 0.6100(18) 0.2747(14) 0.8684(13) 0.071(4) Uani 1 1 d . . . . .
H16 H 0.503916 0.268321 0.906503 0.086 Uiso 1 1 calc R U . . .
C17 C 0.938(2) 0.4752(16) 0.8643(16) 0.113(6) Uani 1 1 d . . . . .
H17A H 1.039512 0.422338 0.906770 0.169 Uiso 1 1 calc R U . . .
H17B H 0.860298 0.527169 0.914096 0.169 Uiso 1 1 calc R U . . .
H17C H 0.967658 0.536818 0.791324 0.169 Uiso 1 1 calc R U . . .
N1 N 0.4525(13) -0.0652(10) 0.6955(9) 0.051(2) Uani 1 1 d . . . . .
N2 N 0.2029(12) 0.2414(11) 0.4937(9) 0.056(3) Uani 1 1 d . . . . .
O1 O 0.1044(12) 0.1989(10) 0.4397(9) 0.081(3) Uani 1 1 d . . . . .
Pt1 Pt 0.57575(6) 0.06181(5) 0.75223(5) 0.04511(17) Uani 1 1 d . . . . .
S1 S 0.7526(4) -0.1205(3) 0.8901(3) 0.0573(9) 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
C18 S1 1.795(12) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 S1 1.780(14) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C6 N1 1.349(14) . ?
C6 C7 1.379(15) . ?
C6 C5 1.457(16) . ?
C5 N2 1.361(14) . ?
C5 C1 1.464(17) . ?
C4 N2 1.361(15) . ?
C4 C3 1.369(18) . ?
C4 H4 0.9300 . ?
C3 C2 1.404(17) . ?
C3 H3 0.9300 . ?
C2 C1 1.403(16) . ?
C2 H2 0.9300 . ?
C1 Pt1 1.918(15) . ?
C7 C8 1.394(17) . ?
C7 H7 0.9300 . ?
C8 C9 1.341(17) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(17) . ?
C9 H9 0.9300 . ?
C10 N1 1.308(14) . ?
C10 H10 0.9300 . ?
C11 C16 1.356(17) . ?
C11 C12 1.431(15) . ?
C11 Pt1 2.017(11) . ?
C12 C13 1.382(16) . ?
C12 H12 0.9300 . ?
C13 C14 1.329(19) . ?
C13 H13 0.9300 . ?
C14 C15 1.41(2) . ?
C14 C17 1.534(18) . ?
C15 C16 1.406(19) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
N1 Pt1 2.151(9) . ?
N2 O1 1.309(12) . ?
Pt1 S1 2.357(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 C18 H18A 109.5 . . ?
S1 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
S1 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
S1 C19 H19A 109.5 . . ?
S1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
S1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C6 C7 118.1(11) . . ?
N1 C6 C5 114.1(10) . . ?
C7 C6 C5 127.8(11) . . ?
N2 C5 C1 122.5(11) . . ?
N2 C5 C6 122.2(10) . . ?
C1 C5 C6 115.3(10) . . ?
N2 C4 C3 120.5(12) . . ?
N2 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C3 C2 119.5(12) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C1 C2 C3 123.3(13) . . ?
C1 C2 H2 118.4 . . ?
C3 C2 H2 118.4 . . ?
C2 C1 C5 113.2(12) . . ?
C2 C1 Pt1 130.4(10) . . ?
C5 C1 Pt1 116.3(8) . . ?
C6 C7 C8 119.7(12) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 119.5(12) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 119.3(13) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
N1 C10 C9 121.0(12) . . ?
N1 C10 H10 119.5 . . ?
C9 C10 H10 119.5 . . ?
C16 C11 C12 116.6(11) . . ?
C16 C11 Pt1 124.7(10) . . ?
C12 C11 Pt1 118.6(8) . . ?
C13 C12 C11 121.0(12) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 121.5(13) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 119.4(13) . . ?
C13 C14 C17 122.6(15) . . ?
C15 C14 C17 118.0(14) . . ?
C14 C15 C16 119.4(13) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C11 C16 C15 122.0(13) . . ?
C11 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C10 N1 C6 122.3(10) . . ?
C10 N1 Pt1 123.9(8) . . ?
C6 N1 Pt1 113.8(8) . . ?
O1 N2 C4 116.7(10) . . ?
O1 N2 C5 122.4(10) . . ?
C4 N2 C5 120.9(11) . . ?
C1 Pt1 C11 93.4(5) . . ?
C1 Pt1 N1 80.5(5) . . ?
C11 Pt1 N1 173.7(5) . . ?
C1 Pt1 S1 175.9(4) . . ?
C11 Pt1 S1 90.6(3) . . ?
N1 Pt1 S1 95.6(3) . . ?
C19 S1 C18 99.6(6) . . ?
C19 S1 Pt1 110.2(5) . . ?
C18 S1 Pt1 107.9(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C6 C5 N2 179.4(10) . . . . ?
C7 C6 C5 N2 2.7(17) . . . . ?
N1 C6 C5 C1 -2.0(14) . . . . ?
C7 C6 C5 C1 -178.8(11) . . . . ?
N2 C4 C3 C2 0(2) . . . . ?
C4 C3 C2 C1 0(2) . . . . ?
C3 C2 C1 C5 0.1(17) . . . . ?
C3 C2 C1 Pt1 177.7(10) . . . . ?
N2 C5 C1 C2 -0.6(16) . . . . ?
C6 C5 C1 C2 -179.1(10) . . . . ?
N2 C5 C1 Pt1 -178.6(8) . . . . ?
C6 C5 C1 Pt1 2.9(13) . . . . ?
N1 C6 C7 C8 2.2(16) . . . . ?
C5 C6 C7 C8 178.8(11) . . . . ?
C6 C7 C8 C9 -0.2(19) . . . . ?
C7 C8 C9 C10 -1(2) . . . . ?
C8 C9 C10 N1 1(2) . . . . ?
C16 C11 C12 C13 1.2(18) . . . . ?
Pt1 C11 C12 C13 -179.0(9) . . . . ?
C11 C12 C13 C14 1.0(19) . . . . ?
C12 C13 C14 C15 -2(2) . . . . ?
C12 C13 C14 C17 177.9(12) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C17 C14 C15 C16 -179.5(14) . . . . ?
C12 C11 C16 C15 -3(2) . . . . ?
Pt1 C11 C16 C15 177.4(10) . . . . ?
C14 C15 C16 C11 2(2) . . . . ?
C9 C10 N1 C6 1.5(19) . . . . ?
C9 C10 N1 Pt1 -178.9(9) . . . . ?
C7 C6 N1 C10 -2.9(17) . . . . ?
C5 C6 N1 C10 180.0(10) . . . . ?
C7 C6 N1 Pt1 177.5(8) . . . . ?
C5 C6 N1 Pt1 0.4(12) . . . . ?
C3 C4 N2 O1 178.7(12) . . . . ?
C3 C4 N2 C5 -0.2(18) . . . . ?
C1 C5 N2 O1 -178.2(10) . . . . ?
C6 C5 N2 O1 0.3(17) . . . . ?
C1 C5 N2 C4 0.7(17) . . . . ?
C6 C5 N2 C4 179.1(10) . . . . ?

_refine_diff_density_max         1.814
_refine_diff_density_min         -1.850
_refine_diff_density_rms         0.170

####################################################################### 
# 
# 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_2a
_database_code_depnum_ccdc_archive 'CCDC 1818535'
_audit_update_record             
;
2018-04-10 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT972_2a                  
;
PROBLEM: Check Calcd Resid. Dens.  0.82A   From Pt1            -3.83 eA-3
RESPONSE: We checked the data but there was no twinning.
;
# Added during the CSD deposition process: Tuesday 10 April 2018 07:45 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H36 N2 O P2 Pt'
_chemical_formula_sum            'C42 H36 N2 O P2 Pt'
_chemical_formula_weight         841.76

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   9.0415(3)
_cell_length_b                   9.8123(3)
_cell_length_c                   19.3945(6)
_cell_angle_alpha                90.271(3)
_cell_angle_beta                 92.925(3)
_cell_angle_gamma                92.873(3)
_cell_volume                     1716.19(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9417
_cell_measurement_theta_min      5.0640
_cell_measurement_theta_max      72.2320

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.629
_exptl_crystal_F_000             836
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    8.811
_shelx_estimated_absorpt_T_min   0.418
_shelx_estimated_absorpt_T_max   0.620
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.43838
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_reflns_number            12582
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.512
_diffrn_reflns_theta_max         72.391
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6653
_reflns_number_gt                6418
_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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    xt
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    xp
_computing_publication_material  shelxtl
_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)+(0.0655P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6653
_refine_ls_number_parameters     434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0408
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1043
_refine_ls_wR_factor_gt          0.1032
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.114
_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 0.2704(5) 0.7824(5) 0.8482(2) 0.0241(9) Uani 1 1 d . . . . .
C2 C 0.3184(5) 0.9180(4) 0.8445(2) 0.0235(8) Uani 1 1 d . . . . .
H2 H 0.3979 0.9429 0.8179 0.028 Uiso 1 1 calc R U . . .
C3 C 0.2483(5) 1.0175(4) 0.8802(2) 0.0252(9) Uani 1 1 d . . . . .
H3 H 0.2779 1.1090 0.8757 0.030 Uiso 1 1 calc R U . . .
C4 C 0.1354(5) 0.9803(4) 0.9223(2) 0.0262(9) Uani 1 1 d . . . . .
H4 H 0.0926 1.0465 0.9481 0.031 Uiso 1 1 calc R U . . .
C5 C 0.1471(5) 0.7496(4) 0.8879(2) 0.0216(8) Uani 1 1 d . . . . .
C6 C 0.0866(5) 0.6074(4) 0.8863(2) 0.0203(8) Uani 1 1 d . . . . .
C7 C -0.0412(5) 0.5563(5) 0.9166(2) 0.0258(9) Uani 1 1 d . . . . .
H7 H -0.0961 0.6137 0.9424 0.031 Uiso 1 1 calc R U . . .
C8 C -0.0864(5) 0.4199(5) 0.9083(2) 0.0283(9) Uani 1 1 d . . . . .
H8 H -0.1713 0.3852 0.9285 0.034 Uiso 1 1 calc R U . . .
C9 C -0.0045(5) 0.3364(5) 0.8697(3) 0.0288(10) Uani 1 1 d . . . . .
H9 H -0.0323 0.2444 0.8638 0.035 Uiso 1 1 calc R U . . .
C10 C 0.1194(5) 0.3921(4) 0.8402(2) 0.0261(9) Uani 1 1 d . . . . .
H10 H 0.1732 0.3355 0.8134 0.031 Uiso 1 1 calc R U . . .
C11 C 0.5379(5) 0.7335(4) 0.7821(2) 0.0183(8) Uani 1 1 d . . . . .
C12 C 0.5418(5) 0.8038(4) 0.7188(2) 0.0245(9) Uani 1 1 d . . . . .
H12 H 0.4644 0.7882 0.6859 0.029 Uiso 1 1 calc R U . . .
C13 C 0.6577(5) 0.8956(4) 0.7043(3) 0.0286(9) Uani 1 1 d . . . . .
H13 H 0.6551 0.9405 0.6622 0.034 Uiso 1 1 calc R U . . .
C14 C 0.7778(5) 0.9225(5) 0.7511(3) 0.0313(10) Uani 1 1 d . . . . .
C15 C 0.7763(5) 0.8543(5) 0.8139(3) 0.0310(10) Uani 1 1 d . . . . .
H15 H 0.8542 0.8704 0.8466 0.037 Uiso 1 1 calc R U . . .
C16 C 0.6596(5) 0.7622(5) 0.8287(2) 0.0261(9) Uani 1 1 d . . . . .
H16 H 0.6626 0.7180 0.8711 0.031 Uiso 1 1 calc R U . . .
C17 C 0.9059(6) 1.0183(5) 0.7350(3) 0.0431(13) Uani 1 1 d . . . . .
H17A H 0.9359 1.0001 0.6892 0.065 Uiso 1 1 calc R U . . .
H17B H 0.9874 1.0054 0.7677 0.065 Uiso 1 1 calc R U . . .
H17C H 0.8765 1.1107 0.7379 0.065 Uiso 1 1 calc R U . . .
C18 C 0.5232(5) 0.3187(4) 0.8528(2) 0.0212(8) Uani 1 1 d . . . . .
C19 C 0.4746(5) 0.3616(4) 0.9164(2) 0.0251(9) Uani 1 1 d . . . . .
H19 H 0.4205 0.4395 0.9186 0.030 Uiso 1 1 calc R U . . .
C20 C 0.5062(6) 0.2893(5) 0.9763(2) 0.0320(10) Uani 1 1 d . . . . .
H20 H 0.4742 0.3194 1.0183 0.038 Uiso 1 1 calc R U . . .
C21 C 0.5855(6) 0.1720(5) 0.9734(2) 0.0314(10) Uani 1 1 d . . . . .
H21 H 0.6049 0.1222 1.0132 0.038 Uiso 1 1 calc R U . . .
C22 C 0.6356(5) 0.1295(4) 0.9110(3) 0.0290(9) Uani 1 1 d . . . . .
H22 H 0.6894 0.0514 0.9090 0.035 Uiso 1 1 calc R U . . .
C23 C 0.6059(5) 0.2029(4) 0.8515(2) 0.0239(8) Uani 1 1 d . . . . .
H23 H 0.6419 0.1744 0.8100 0.029 Uiso 1 1 calc R U . . .
C24 C 0.3654(5) 0.3139(4) 0.7153(2) 0.0228(8) Uani 1 1 d . . . . .
C25 C 0.3810(6) 0.1743(5) 0.7062(2) 0.0293(10) Uani 1 1 d . . . . .
H25 H 0.4508 0.1296 0.7334 0.035 Uiso 1 1 calc R U . . .
C26 C 0.2924(6) 0.1018(5) 0.6565(3) 0.0365(11) Uani 1 1 d . . . . .
H26 H 0.3029 0.0087 0.6508 0.044 Uiso 1 1 calc R U . . .
C27 C 0.1889(6) 0.1673(6) 0.6155(3) 0.0389(12) Uani 1 1 d . . . . .
H27 H 0.1301 0.1184 0.5822 0.047 Uiso 1 1 calc R U . . .
C28 C 0.1729(6) 0.3046(6) 0.6239(3) 0.0378(11) Uani 1 1 d . . . . .
H28 H 0.1034 0.3488 0.5963 0.045 Uiso 1 1 calc R U . . .
C29 C 0.2608(5) 0.3783(5) 0.6740(2) 0.0297(9) Uani 1 1 d . . . . .
H29 H 0.2490 0.4712 0.6797 0.036 Uiso 1 1 calc R U . . .
C30 C 0.6562(5) 0.4416(5) 0.7367(2) 0.0244(9) Uani 1 1 d . . . . .
H30A H 0.7000 0.3536 0.7347 0.029 Uiso 1 1 calc R U . . .
H30B H 0.7227 0.5022 0.7649 0.029 Uiso 1 1 calc R U . . .
C31 C 0.8251(5) 0.5840(5) 0.6366(2) 0.0254(9) Uani 1 1 d . . . . .
C32 C 0.8724(7) 0.5984(7) 0.5700(3) 0.0545(19) Uani 1 1 d . . . . .
H32 H 0.8116 0.5650 0.5330 0.065 Uiso 1 1 calc R U . . .
C33 C 1.0083(8) 0.6614(8) 0.5579(3) 0.064(2) Uani 1 1 d . . . . .
H33 H 1.0377 0.6695 0.5128 0.077 Uiso 1 1 calc R U . . .
C34 C 1.1012(6) 0.7126(6) 0.6111(3) 0.0374(12) Uani 1 1 d . . . . .
H34 H 1.1921 0.7560 0.6024 0.045 Uiso 1 1 calc R U . . .
C35 C 1.0568(6) 0.6982(5) 0.6771(3) 0.0330(10) Uani 1 1 d . . . . .
H35 H 1.1185 0.7315 0.7138 0.040 Uiso 1 1 calc R U . . .
C36 C 0.9209(6) 0.6345(5) 0.6897(2) 0.0312(10) Uani 1 1 d . . . . .
H36 H 0.8932 0.6254 0.7350 0.037 Uiso 1 1 calc R U . . .
C37 C 0.6399(5) 0.3550(4) 0.5947(2) 0.0269(9) Uani 1 1 d . . . . .
C38 C 0.5290(6) 0.3344(5) 0.5433(3) 0.0345(11) Uani 1 1 d . . . . .
H38 H 0.4549 0.3964 0.5379 0.041 Uiso 1 1 calc R U . . .
C39 C 0.5277(7) 0.2213(6) 0.4996(3) 0.0443(14) Uani 1 1 d . . . . .
H39 H 0.4532 0.2080 0.4650 0.053 Uiso 1 1 calc R U . . .
C40 C 0.6370(8) 0.1295(6) 0.5078(3) 0.0471(16) Uani 1 1 d . . . . .
H40 H 0.6361 0.0536 0.4789 0.057 Uiso 1 1 calc R U . . .
C41 C 0.7484(7) 0.1494(5) 0.5590(3) 0.0408(13) Uani 1 1 d . . . . .
H41 H 0.8222 0.0870 0.5644 0.049 Uiso 1 1 calc R U . . .
C42 C 0.7498(6) 0.2630(5) 0.6024(3) 0.0338(11) Uani 1 1 d . . . . .
H42 H 0.8250 0.2768 0.6366 0.041 Uiso 1 1 calc R U . . .
N1 N 0.1673(4) 0.5229(4) 0.84765(18) 0.0200(7) Uani 1 1 d . . . . .
N2 N 0.0856(4) 0.8471(4) 0.9264(2) 0.0256(8) Uani 1 1 d . . . . .
O1 O -0.0198(4) 0.8178(3) 0.96798(19) 0.0377(9) Uani 1 1 d . . . . .
P1 P 0.47796(12) 0.42202(10) 0.77698(5) 0.0184(2) Uani 1 1 d . . . . .
P2 P 0.63642(12) 0.51180(11) 0.64784(6) 0.0225(2) Uani 1 1 d . . . . .
Pt1 Pt 0.36346(2) 0.61586(2) 0.80916(2) 0.01789(8) 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 C2 1.382(6) . ?
C1 C5 1.411(6) . ?
C1 Pt1 2.036(5) . ?
C2 C3 1.391(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.375(6) . ?
C3 H3 0.9300 . ?
C4 N2 1.365(6) . ?
C4 H4 0.9300 . ?
C5 N2 1.369(5) . ?
C5 C6 1.472(6) . ?
C6 N1 1.376(5) . ?
C6 C7 1.396(6) . ?
C7 C8 1.386(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.374(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.375(6) . ?
C9 H9 0.9300 . ?
C10 N1 1.339(6) . ?
C10 H10 0.9300 . ?
C11 C16 1.404(6) . ?
C11 C12 1.412(6) . ?
C11 Pt1 2.001(4) . ?
C12 C13 1.388(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.393(7) . ?
C13 H13 0.9300 . ?
C14 C15 1.394(7) . ?
C14 C17 1.501(6) . ?
C15 C16 1.396(6) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C23 1.392(6) . ?
C18 C19 1.401(6) . ?
C18 P1 1.831(4) . ?
C19 C20 1.388(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.389(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(6) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C29 1.387(6) . ?
C24 C25 1.396(6) . ?
C24 P1 1.829(4) . ?
C25 C26 1.390(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.383(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.372(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.399(7) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 P1 1.828(4) . ?
C30 P2 1.862(4) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C36 1.385(7) . ?
C31 C32 1.386(7) . ?
C31 P2 1.838(5) . ?
C32 C33 1.379(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.373(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.366(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.384(7) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.379(7) . ?
C37 C38 1.385(7) . ?
C37 P2 1.850(5) . ?
C38 C39 1.392(7) . ?
C38 H38 0.9300 . ?
C39 C40 1.375(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.384(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.392(7) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
N1 Pt1 2.125(4) . ?
N2 O1 1.302(5) . ?
P1 Pt1 2.3089(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C5 117.9(4) . . ?
C2 C1 Pt1 128.5(4) . . ?
C5 C1 Pt1 113.5(3) . . ?
C1 C2 C3 120.4(4) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
N2 C4 C3 120.6(4) . . ?
N2 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
N2 C5 C1 120.9(4) . . ?
N2 C5 C6 121.1(4) . . ?
C1 C5 C6 118.0(4) . . ?
N1 C6 C7 120.1(4) . . ?
N1 C6 C5 112.8(4) . . ?
C7 C6 C5 127.1(4) . . ?
C8 C7 C6 120.0(4) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C9 C8 C7 119.3(4) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C8 C9 C10 118.5(4) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
N1 C10 C9 123.9(4) . . ?
N1 C10 H10 118.0 . . ?
C9 C10 H10 118.0 . . ?
C16 C11 C12 115.4(4) . . ?
C16 C11 Pt1 121.1(3) . . ?
C12 C11 Pt1 123.2(3) . . ?
C13 C12 C11 122.0(4) . . ?
C13 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
C12 C13 C14 121.9(4) . . ?
C12 C13 H13 119.1 . . ?
C14 C13 H13 119.1 . . ?
C13 C14 C15 117.1(4) . . ?
C13 C14 C17 122.3(5) . . ?
C15 C14 C17 120.6(5) . . ?
C14 C15 C16 121.1(5) . . ?
C14 C15 H15 119.5 . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C11 122.6(4) . . ?
C15 C16 H16 118.7 . . ?
C11 C16 H16 118.7 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 118.2(4) . . ?
C23 C18 P1 124.2(3) . . ?
C19 C18 P1 117.6(3) . . ?
C20 C19 C18 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 120.0(4) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 119.7(4) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C21 C22 C23 120.3(4) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C18 121.0(4) . . ?
C22 C23 H23 119.5 . . ?
C18 C23 H23 119.5 . . ?
C29 C24 C25 118.8(4) . . ?
C29 C24 P1 116.5(3) . . ?
C25 C24 P1 124.6(4) . . ?
C26 C25 C24 120.2(5) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C27 C26 C25 120.4(5) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C28 C27 C26 119.9(5) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
C27 C28 C29 120.1(5) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 120.5(5) . . ?
C24 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
P1 C30 P2 112.0(2) . . ?
P1 C30 H30A 109.2 . . ?
P2 C30 H30A 109.2 . . ?
P1 C30 H30B 109.2 . . ?
P2 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C36 C31 C32 116.9(4) . . ?
C36 C31 P2 124.7(3) . . ?
C32 C31 P2 118.3(4) . . ?
C33 C32 C31 121.0(5) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C34 C33 C32 121.4(5) . . ?
C34 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
C35 C34 C33 118.4(5) . . ?
C35 C34 H34 120.8 . . ?
C33 C34 H34 120.8 . . ?
C34 C35 C36 120.6(5) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C35 C36 C31 121.7(4) . . ?
C35 C36 H36 119.1 . . ?
C31 C36 H36 119.1 . . ?
C42 C37 C38 119.6(5) . . ?
C42 C37 P2 123.1(4) . . ?
C38 C37 P2 117.2(4) . . ?
C37 C38 C39 120.4(5) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C40 C39 C38 119.6(5) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 120.3(5) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C40 C41 C42 119.9(6) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 H41 120.1 . . ?
C37 C42 C41 120.1(5) . . ?
C37 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C10 N1 C6 118.2(4) . . ?
C10 N1 Pt1 126.8(3) . . ?
C6 N1 Pt1 114.9(3) . . ?
O1 N2 C4 117.8(4) . . ?
O1 N2 C5 122.3(4) . . ?
C4 N2 C5 119.9(4) . . ?
C30 P1 C24 103.1(2) . . ?
C30 P1 C18 102.37(19) . . ?
C24 P1 C18 107.84(19) . . ?
C30 P1 Pt1 118.58(15) . . ?
C24 P1 Pt1 113.51(15) . . ?
C18 P1 Pt1 110.38(14) . . ?
C31 P2 C37 100.0(2) . . ?
C31 P2 C30 101.2(2) . . ?
C37 P2 C30 101.4(2) . . ?
C11 Pt1 C1 90.03(17) . . ?
C11 Pt1 N1 169.59(15) . . ?
C1 Pt1 N1 79.71(16) . . ?
C11 Pt1 P1 90.85(12) . . ?
C1 Pt1 P1 173.77(12) . . ?
N1 Pt1 P1 99.16(10) . . ?

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
C5 C1 C2 C3 1.5(7) . . . . ?
Pt1 C1 C2 C3 -173.6(3) . . . . ?
C1 C2 C3 C4 3.1(7) . . . . ?
C2 C3 C4 N2 -3.6(7) . . . . ?
C2 C1 C5 N2 -5.9(6) . . . . ?
Pt1 C1 C5 N2 170.0(3) . . . . ?
C2 C1 C5 C6 174.0(4) . . . . ?
Pt1 C1 C5 C6 -10.2(5) . . . . ?
N2 C5 C6 N1 -176.9(4) . . . . ?
C1 C5 C6 N1 3.3(6) . . . . ?
N2 C5 C6 C7 5.8(7) . . . . ?
C1 C5 C6 C7 -174.1(4) . . . . ?
N1 C6 C7 C8 0.5(7) . . . . ?
C5 C6 C7 C8 177.7(4) . . . . ?
C6 C7 C8 C9 -0.3(7) . . . . ?
C7 C8 C9 C10 -0.6(7) . . . . ?
C8 C9 C10 N1 1.3(8) . . . . ?
C16 C11 C12 C13 -0.5(6) . . . . ?
Pt1 C11 C12 C13 173.3(3) . . . . ?
C11 C12 C13 C14 0.8(7) . . . . ?
C12 C13 C14 C15 -0.8(7) . . . . ?
C12 C13 C14 C17 178.1(5) . . . . ?
C13 C14 C15 C16 0.6(7) . . . . ?
C17 C14 C15 C16 -178.3(5) . . . . ?
C14 C15 C16 C11 -0.4(7) . . . . ?
C12 C11 C16 C15 0.4(6) . . . . ?
Pt1 C11 C16 C15 -173.6(4) . . . . ?
C23 C18 C19 C20 -1.0(6) . . . . ?
P1 C18 C19 C20 -179.3(4) . . . . ?
C18 C19 C20 C21 -0.7(7) . . . . ?
C19 C20 C21 C22 1.5(7) . . . . ?
C20 C21 C22 C23 -0.5(7) . . . . ?
C21 C22 C23 C18 -1.3(7) . . . . ?
C19 C18 C23 C22 2.0(6) . . . . ?
P1 C18 C23 C22 -179.9(3) . . . . ?
C29 C24 C25 C26 -0.1(7) . . . . ?
P1 C24 C25 C26 -178.2(4) . . . . ?
C24 C25 C26 C27 0.4(8) . . . . ?
C25 C26 C27 C28 -0.2(8) . . . . ?
C26 C27 C28 C29 -0.2(8) . . . . ?
C25 C24 C29 C28 -0.2(7) . . . . ?
P1 C24 C29 C28 178.0(4) . . . . ?
C27 C28 C29 C24 0.4(8) . . . . ?
C36 C31 C32 C33 -0.6(10) . . . . ?
P2 C31 C32 C33 175.0(6) . . . . ?
C31 C32 C33 C34 -0.3(13) . . . . ?
C32 C33 C34 C35 0.8(12) . . . . ?
C33 C34 C35 C36 -0.5(9) . . . . ?
C34 C35 C36 C31 -0.4(8) . . . . ?
C32 C31 C36 C35 0.9(8) . . . . ?
P2 C31 C36 C35 -174.4(4) . . . . ?
C42 C37 C38 C39 0.2(7) . . . . ?
P2 C37 C38 C39 177.5(4) . . . . ?
C37 C38 C39 C40 0.3(8) . . . . ?
C38 C39 C40 C41 -0.4(8) . . . . ?
C39 C40 C41 C42 0.0(8) . . . . ?
C38 C37 C42 C41 -0.6(7) . . . . ?
P2 C37 C42 C41 -177.7(4) . . . . ?
C40 C41 C42 C37 0.5(8) . . . . ?
C9 C10 N1 C6 -1.0(7) . . . . ?
C9 C10 N1 Pt1 176.2(4) . . . . ?
C7 C6 N1 C10 0.1(6) . . . . ?
C5 C6 N1 C10 -177.4(4) . . . . ?
C7 C6 N1 Pt1 -177.4(3) . . . . ?
C5 C6 N1 Pt1 5.0(4) . . . . ?
C3 C4 N2 O1 178.8(4) . . . . ?
C3 C4 N2 C5 -0.8(7) . . . . ?
C1 C5 N2 O1 -174.0(4) . . . . ?
C6 C5 N2 O1 6.2(7) . . . . ?
C1 C5 N2 C4 5.6(7) . . . . ?
C6 C5 N2 C4 -174.3(4) . . . . ?
P2 C30 P1 C24 55.9(3) . . . . ?
P2 C30 P1 C18 167.8(2) . . . . ?
P2 C30 P1 Pt1 -70.5(3) . . . . ?
C29 C24 P1 C30 -103.9(4) . . . . ?
C25 C24 P1 C30 74.2(4) . . . . ?
C29 C24 P1 C18 148.3(3) . . . . ?
C25 C24 P1 C18 -33.6(4) . . . . ?
C29 C24 P1 Pt1 25.7(4) . . . . ?
C25 C24 P1 Pt1 -156.2(4) . . . . ?
C23 C18 P1 C30 -46.0(4) . . . . ?
C19 C18 P1 C30 132.0(3) . . . . ?
C23 C18 P1 C24 62.3(4) . . . . ?
C19 C18 P1 C24 -119.6(3) . . . . ?
C23 C18 P1 Pt1 -173.2(3) . . . . ?
C19 C18 P1 Pt1 4.9(4) . . . . ?
C36 C31 P2 C37 -133.3(4) . . . . ?
C32 C31 P2 C37 51.5(5) . . . . ?
C36 C31 P2 C30 -29.5(5) . . . . ?
C32 C31 P2 C30 155.3(5) . . . . ?
C42 C37 P2 C31 51.5(4) . . . . ?
C38 C37 P2 C31 -125.7(4) . . . . ?
C42 C37 P2 C30 -52.2(4) . . . . ?
C38 C37 P2 C30 130.6(4) . . . . ?
P1 C30 P2 C31 157.7(2) . . . . ?
P1 C30 P2 C37 -99.6(3) . . . . ?

_refine_diff_density_max         2.310
_refine_diff_density_min         -3.766
_refine_diff_density_rms         0.194

####################################################################### 
# 
# 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_5b
_database_code_depnum_ccdc_archive 'CCDC 1818537'
_audit_update_record             
;
2018-04-10 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C67 H68 N4 O2 P2 Pt2'
_chemical_formula_sum            'C67 H68 N4 O2 P2 Pt2'
_chemical_formula_weight         1413.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   12.7963(4)
_cell_length_b                   16.9607(5)
_cell_length_c                   17.2418(5)
_cell_angle_alpha                112.543(3)
_cell_angle_beta                 106.309(3)
_cell_angle_gamma                91.346(2)
_cell_volume                     3280.56(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    18950
_cell_measurement_theta_min      2.9550
_cell_measurement_theta_max      72.9670

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_F_000             1400
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    8.653
_shelx_estimated_absorpt_T_min   0.152
_shelx_estimated_absorpt_T_max   0.478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.52985
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.1150
_diffrn_reflns_number            27596
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_av_R_equivalents  0.0393
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.852
_diffrn_reflns_theta_max         73.099
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             12729
_reflns_number_gt                11425
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    xt
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    xp
_computing_publication_material  shelxtl
_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)+(0.0502P)²+0.3328P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12729
_refine_ls_number_parameters     739
_refine_ls_number_restraints     204
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0849
_refine_ls_wR_factor_gt          0.0813
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.013
_refine_ls_shift/su_max          0.005
_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 0.8024(3) 0.9743(2) 0.2030(2) 0.0295(7) Uani 1 1 d . . . . .
C1A C 0.8166(3) 1.5409(2) 0.8146(2) 0.0302(8) Uani 1 1 d . . . . .
C2 C 0.8114(4) 0.8992(3) 0.2181(3) 0.0386(9) Uani 1 1 d . . . . .
H2 H 0.7727 0.8874 0.2516 0.046 Uiso 1 1 calc R U . . .
C2A C 0.7395(4) 1.5933(3) 0.7959(3) 0.0411(10) Uani 1 1 d . . . . .
H2A H 0.6729 1.5690 0.7510 0.049 Uiso 1 1 calc R U . . .
C3 C 0.8784(4) 0.8425(3) 0.1828(3) 0.0468(11) Uani 1 1 d . . . . .
H3 H 0.8860 0.7931 0.1941 0.056 Uiso 1 1 calc R U . . .
C3A C 0.7629(4) 1.6824(3) 0.8450(3) 0.0423(10) Uani 1 1 d . . . . .
H3A H 0.7111 1.7173 0.8334 0.051 Uiso 1 1 calc R U . . .
C4 C 0.9338(4) 0.8580(3) 0.1315(3) 0.0456(11) Uani 1 1 d . . . . .
H4 H 0.9793 0.8196 0.1090 0.055 Uiso 1 1 calc R U . . .
C4A C 0.8622(3) 1.7189(2) 0.9105(3) 0.0358(8) Uani 1 1 d . . . . .
H4A H 0.8778 1.7786 0.9415 0.043 Uiso 1 1 calc R U . . .
C5 C 0.8580(3) 0.9879(3) 0.1493(2) 0.0314(8) Uani 1 1 d . . . . .
C5A C 0.9162(3) 1.5807(2) 0.8818(2) 0.0269(7) Uani 1 1 d . . . . .
C6 C 0.8454(3) 1.0667(3) 0.1322(2) 0.0319(8) Uani 1 1 d . . . . .
C6A C 0.9979(3) 1.5252(2) 0.9020(2) 0.0260(7) Uani 1 1 d . . . . .
C7 C 0.8950(3) 1.0930(3) 0.0824(2) 0.0382(9) Uani 1 1 d . . . . .
H7 H 0.9436 1.0605 0.0571 0.046 Uiso 1 1 calc R U . . .
C7A C 1.1019(3) 1.5516(2) 0.9641(2) 0.0328(8) Uani 1 1 d . . . . .
H7A H 1.1285 1.6101 0.9965 0.039 Uiso 1 1 calc R U . . .
C8 C 0.8720(4) 1.1673(3) 0.0706(3) 0.0446(10) Uani 1 1 d . . . . .
H8 H 0.9049 1.1855 0.0373 0.054 Uiso 1 1 calc R U . . .
C8A C 1.1667(3) 1.4903(3) 0.9781(3) 0.0350(8) Uani 1 1 d . . . . .
H8A H 1.2372 1.5073 1.0187 0.042 Uiso 1 1 calc R U . . .
C9 C 0.7994(4) 1.2147(3) 0.1088(3) 0.0476(11) Uani 1 1 d . . . . .
H9 H 0.7826 1.2650 0.1016 0.057 Uiso 1 1 calc R U . . .
C9A C 1.1240(3) 1.4039(3) 0.9306(3) 0.0344(8) Uani 1 1 d . . . . .
H9A H 1.1642 1.3618 0.9404 0.041 Uiso 1 1 calc R U . . .
C10 C 0.7527(4) 1.1861(3) 0.1573(3) 0.0406(9) Uani 1 1 d . . . . .
H10 H 0.7031 1.2178 0.1820 0.049 Uiso 1 1 calc R U . . .
C10A C 1.0218(3) 1.3813(2) 0.8689(3) 0.0312(8) Uani 1 1 d . . . . .
H10A H 0.9941 1.3229 0.8369 0.037 Uiso 1 1 calc R U . . .
C11 C 0.6745(3) 1.0120(2) 0.3240(2) 0.0269(7) Uani 1 1 d . . . . .
C12 C 0.5704(3) 0.9651(2) 0.3007(3) 0.0335(8) Uani 1 1 d . . . . .
H12 H 0.5165 0.9597 0.2491 0.040 Uiso 1 1 calc R U . . .
C13 C 0.5460(3) 0.9266(3) 0.3524(3) 0.0387(9) Uani 1 1 d . . . . .
H13 H 0.4761 0.8962 0.3350 0.046 Uiso 1 1 calc R U . . .
C14 C 0.6245(3) 0.9325(2) 0.4302(3) 0.0351(8) Uani 1 1 d . . . . .
C15 C 0.7279(3) 0.9763(2) 0.4522(2) 0.0307(7) Uani 1 1 d . . . . .
H15 H 0.7823 0.9801 0.5028 0.037 Uiso 1 1 calc R U . . .
C16 C 0.7524(3) 1.0152(2) 0.4002(2) 0.0270(7) Uani 1 1 d . . . . .
H16 H 0.8231 1.0441 0.4169 0.032 Uiso 1 1 calc R U . . .
C17 C 0.5969(4) 0.8929(3) 0.4886(3) 0.0505(11) Uani 1 1 d . . . . .
H17A H 0.6638 0.8885 0.5285 0.076 Uiso 1 1 calc R U . . .
H17B H 0.5553 0.8364 0.4524 0.076 Uiso 1 1 calc R U . . .
H17C H 0.5542 0.9287 0.5219 0.076 Uiso 1 1 calc R U . . .
C11A C 0.6512(7) 1.3997(9) 0.6698(8) 0.031(3) Uani 0.50(3) 1 d G U P A 2
C12A C 0.5595(7) 1.3675(8) 0.6828(11) 0.041(3) Uani 0.50(3) 1 d G U P A 2
H12A H 0.5677 1.3549 0.7319 0.049 Uiso 0.50(3) 1 calc R U P A 2
C13A C 0.4557(7) 1.3542(6) 0.6223(12) 0.053(4) Uani 0.50(3) 1 d G U P A 2
H13A H 0.3944 1.3327 0.6309 0.064 Uiso 0.50(3) 1 calc R U P A 2
C14A C 0.4435(10) 1.3731(7) 0.5488(10) 0.052(4) Uani 0.50(3) 1 d G U P A 2
C15A C 0.5351(13) 1.4053(8) 0.5359(7) 0.046(4) Uani 0.50(3) 1 d G U P A 2
H15A H 0.5269 1.4179 0.4868 0.056 Uiso 0.50(3) 1 calc R U P A 2
C16A C 0.6389(11) 1.4186(8) 0.5964(7) 0.036(3) Uani 0.50(3) 1 d G U P A 2
H16A H 0.7002 1.4401 0.5878 0.043 Uiso 0.50(3) 1 calc R U P A 2
C11X C 0.6665(7) 1.4029(9) 0.6530(7) 0.027(2) Uani 0.50(3) 1 d G U P A 1
C12X C 0.5675(7) 1.3674(7) 0.6529(8) 0.035(2) Uani 0.50(3) 1 d G U P A 1
H12X H 0.5662 1.3486 0.6968 0.042 Uiso 0.50(3) 1 calc R U P A 1
C13X C 0.4704(7) 1.3598(5) 0.5873(10) 0.041(3) Uani 0.50(3) 1 d G U P A 1
H13X H 0.4042 1.3360 0.5873 0.049 Uiso 0.50(3) 1 calc R U P A 1
C14X C 0.4723(9) 1.3879(6) 0.5218(8) 0.040(3) Uani 0.50(3) 1 d G U P A 1
C15X C 0.5713(11) 1.4235(7) 0.5218(6) 0.038(3) Uani 0.50(3) 1 d G U P A 1
H15X H 0.5725 1.4422 0.4779 0.046 Uiso 0.50(3) 1 calc R U P A 1
C16X C 0.6684(9) 1.4310(8) 0.5874(6) 0.033(2) Uani 0.50(3) 1 d G U P A 1
H16X H 0.7346 1.4548 0.5874 0.039 Uiso 0.50(3) 1 calc R U P A 1
C18 C 0.6366(3) 1.2835(2) 0.3213(2) 0.0274(7) Uani 1 1 d . . . . .
C19 C 0.7420(3) 1.3274(3) 0.3707(3) 0.0332(8) Uani 1 1 d . . . . .
H19 H 0.7958 1.2989 0.3929 0.040 Uiso 1 1 calc R U . . .
C20 C 0.7682(4) 1.4133(3) 0.3872(3) 0.0468(11) Uani 1 1 d . . . . .
H20 H 0.8386 1.4427 0.4216 0.056 Uiso 1 1 calc R U . . .
C21 C 0.6889(5) 1.4547(3) 0.3523(4) 0.0652(16) Uani 1 1 d . . . . .
H21 H 0.7066 1.5120 0.3621 0.078 Uiso 1 1 calc R U . . .
C22 C 0.5849(4) 1.4125(4) 0.3035(5) 0.078(2) Uani 1 1 d . . . . .
H22 H 0.5315 1.4410 0.2809 0.093 Uiso 1 1 calc R U . . .
C23 C 0.5587(4) 1.3264(3) 0.2877(4) 0.0519(12) Uani 1 1 d . . . . .
H23 H 0.4878 1.2976 0.2540 0.062 Uiso 1 1 calc R U . . .
C24 C 0.4653(3) 1.1372(2) 0.2349(2) 0.0288(7) Uani 1 1 d . . . . .
C25 C 0.4468(4) 1.0956(3) 0.1450(3) 0.0471(11) Uani 1 1 d . . . . .
H25 H 0.5064 1.0841 0.1237 0.056 Uiso 1 1 calc R U . . .
C26 C 0.3416(4) 1.0707(4) 0.0861(3) 0.0581(13) Uani 1 1 d . . . . .
H26 H 0.3309 1.0443 0.0257 0.070 Uiso 1 1 calc R U . . .
C27 C 0.2517(3) 1.0851(3) 0.1167(3) 0.0458(11) Uani 1 1 d . . . . .
H27 H 0.1806 1.0677 0.0771 0.055 Uiso 1 1 calc R U . . .
C28 C 0.2682(3) 1.1249(3) 0.2056(3) 0.0426(10) Uani 1 1 d . . . . .
H28 H 0.2081 1.1344 0.2266 0.051 Uiso 1 1 calc R U . . .
C29 C 0.3752(3) 1.1516(3) 0.2652(3) 0.0350(8) Uani 1 1 d . . . . .
H29 H 0.3858 1.1792 0.3255 0.042 Uiso 1 1 calc R U . . .
C30 C 0.5990(3) 1.1883(2) 0.4165(2) 0.0257(7) Uani 1 1 d . . . . .
H30A H 0.5486 1.2293 0.4311 0.031 Uiso 1 1 calc R U . . .
H30B H 0.5681 1.1340 0.4136 0.031 Uiso 1 1 calc R U . . .
C31 C 0.7097(3) 1.2214(2) 0.4914(2) 0.0278(7) Uani 1 1 d . . . . .
H31A H 0.7299 1.2826 0.5088 0.033 Uiso 1 1 calc R U . . .
H31B H 0.7669 1.1915 0.4711 0.033 Uiso 1 1 calc R U . . .
C32 C 0.6984(3) 1.2052(2) 0.5709(2) 0.0277(7) Uani 1 1 d . . . . .
H32A H 0.6974 1.1440 0.5570 0.033 Uiso 1 1 calc R U . . .
H32B H 0.6278 1.2196 0.5782 0.033 Uiso 1 1 calc R U . . .
C33 C 0.9335(3) 1.2407(2) 0.6491(2) 0.0306(7) Uani 1 1 d . . . . .
C34 C 1.0078(5) 1.3077(3) 0.6611(4) 0.0635(16) Uani 1 1 d . . . . .
H34 H 0.9919 1.3639 0.6824 0.076 Uiso 1 1 calc R U . . .
C35 C 1.1064(6) 1.2932(4) 0.6419(5) 0.087(2) Uani 1 1 d . . . . .
H35 H 1.1556 1.3394 0.6507 0.104 Uiso 1 1 calc R U . . .
C36 C 1.1308(4) 1.2112(4) 0.6103(3) 0.0553(12) Uani 1 1 d . . . . .
H36 H 1.1971 1.2012 0.5986 0.066 Uiso 1 1 calc R U . . .
C37 C 1.0565(4) 1.1437(3) 0.5960(3) 0.0499(11) Uani 1 1 d . . . . .
H37 H 1.0715 1.0875 0.5729 0.060 Uiso 1 1 calc R U . . .
C38 C 0.9598(4) 1.1585(3) 0.6156(3) 0.0460(11) Uani 1 1 d . . . . .
H38 H 0.9108 1.1118 0.6059 0.055 Uiso 1 1 calc R U . . .
C39 C 0.7846(3) 1.2050(2) 0.7406(2) 0.0297(7) Uani 1 1 d . . . . .
C40 C 0.7616(4) 1.2486(3) 0.8172(3) 0.0489(11) Uani 1 1 d . . . . .
H40 H 0.7613 1.3078 0.8372 0.059 Uiso 1 1 calc R U . . .
C41 C 0.7384(6) 1.2051(4) 0.8661(3) 0.073(2) Uani 1 1 d . . . . .
H41 H 0.7233 1.2359 0.9184 0.087 Uiso 1 1 calc R U . . .
C42 C 0.7376(4) 1.1192(3) 0.8387(3) 0.0487(11) Uani 1 1 d . . . . .
H42 H 0.7226 1.0909 0.8719 0.058 Uiso 1 1 calc R U . . .
C43 C 0.7590(6) 1.0743(4) 0.7617(4) 0.0693(17) Uani 1 1 d . . . . .
H43 H 0.7590 1.0151 0.7425 0.083 Uiso 1 1 calc R U . . .
C44 C 0.7805(6) 1.1161(3) 0.7119(4) 0.0705(19) Uani 1 1 d . . . . .
H44 H 0.7924 1.0844 0.6585 0.085 Uiso 1 1 calc R U . . .
C45S C 0.0194(6) 0.4593(5) 0.3329(5) 0.090(2) Uani 1 1 d . . . . .
H45A H -0.0570 0.4511 0.2996 0.135 Uiso 1 1 calc R U . . .
H45B H 0.0613 0.4955 0.3176 0.135 Uiso 1 1 calc R U . . .
H45C H 0.0282 0.4862 0.3949 0.135 Uiso 1 1 calc R U . . .
C46S C 0.0610(5) 0.3702(4) 0.3109(4) 0.0670(15) Uani 1 1 d . . . . .
H46A H 0.0370 0.3381 0.2472 0.080 Uiso 1 1 calc R U . . .
H46B H 0.1409 0.3796 0.3312 0.080 Uiso 1 1 calc R U . . .
C47S C 0.0217(5) 0.3178(4) 0.3514(4) 0.0644(14) Uani 1 1 d . . . . .
H47A H -0.0582 0.3091 0.3313 0.077 Uiso 1 1 calc R U . . .
H47B H 0.0457 0.3505 0.4150 0.077 Uiso 1 1 calc R U . . .
C48S C 0.0593(4) 0.2310(4) 0.3323(4) 0.0595(13) Uani 1 1 d . . . . .
H48A H 0.1392 0.2396 0.3523 0.071 Uiso 1 1 calc R U . . .
H48B H 0.0351 0.1982 0.2687 0.071 Uiso 1 1 calc R U . . .
C49S C 0.0195(5) 0.1779(4) 0.3737(4) 0.0659(15) Uani 1 1 d . . . . .
H49A H 0.0384 0.2120 0.4369 0.079 Uiso 1 1 calc R U . . .
H49B H -0.0602 0.1646 0.3499 0.079 Uiso 1 1 calc R U . . .
C50S C 0.0664(5) 0.0953(4) 0.3589(4) 0.0755(18) Uani 1 1 d . . . . .
H50A H 0.0453 0.0599 0.2966 0.113 Uiso 1 1 calc R U . . .
H50B H 0.0389 0.0652 0.3879 0.113 Uiso 1 1 calc R U . . .
H50C H 0.1453 0.1078 0.3826 0.113 Uiso 1 1 calc R U . . .
N1 N 0.7745(3) 1.1145(2) 0.17118(19) 0.0294(6) Uani 1 1 d . . . . .
N1A N 0.9588(2) 1.43949(19) 0.85178(19) 0.0248(6) Uani 1 1 d . . . . .
N2 N 0.9225(3) 0.9290(3) 0.1133(2) 0.0404(8) Uani 1 1 d . . . . .
N2A N 0.9375(3) 1.66870(19) 0.9304(2) 0.0285(6) Uani 1 1 d . . . . .
O1 O 0.9746(3) 0.9383(2) 0.0613(2) 0.0540(9) Uani 1 1 d . . . . .
O1A O 1.0273(2) 1.70684(17) 0.99587(18) 0.0363(6) Uani 1 1 d . . . . .
P2 P 0.80594(7) 1.26513(5) 0.67632(6) 0.02469(17) Uani 1 1 d . . . . .
P1 P 0.60763(7) 1.17163(6) 0.30728(5) 0.02309(16) Uani 1 1 d . . . . .
Pt2 Pt 0.80718(2) 1.41101(2) 0.75051(2) 0.02471(5) Uani 1 1 d . . . . .
Pt1 Pt 0.71456(2) 1.07012(2) 0.25156(2) 0.02393(5) Uani 1 1 d . . . . .
C17X C 0.3669(14) 1.3755(9) 0.4458(12) 0.065(5) Uani 0.50(3) 1 d . . P A 1
H17D H 0.3453 1.4308 0.4513 0.097 Uiso 0.50(3) 1 calc R U P A 1
H17E H 0.3090 1.3405 0.4483 0.097 Uiso 0.50(3) 1 calc R U P A 1
H17F H 0.3805 1.3476 0.3902 0.097 Uiso 0.50(3) 1 calc R U P A 1
C17A C 0.3291(16) 1.3566(13) 0.4797(16) 0.099(9) Uani 0.50(3) 1 d . . P A 2
H17G H 0.3011 1.4103 0.4883 0.148 Uiso 0.50(3) 1 calc R U P A 2
H17H H 0.2796 1.3182 0.4866 0.148 Uiso 0.50(3) 1 calc R U P A 2
H17I H 0.3354 1.3310 0.4213 0.148 Uiso 0.50(3) 1 calc R U P A 2


_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 C5 1.394(5) . ?
C1 C2 1.395(6) . ?
C1 Pt1 2.043(3) . ?
C1A C2A 1.396(5) . ?
C1A C5A 1.397(5) . ?
C1A Pt2 2.034(3) . ?
C2 C3 1.384(6) . ?
C2 H2 0.9300 . ?
C2A C3A 1.393(6) . ?
C2A H2A 0.9300 . ?
C3 C4 1.369(7) . ?
C3 H3 0.9300 . ?
C3A C4A 1.377(6) . ?
C3A H3A 0.9300 . ?
C4 N2 1.357(6) . ?
C4 H4 0.9300 . ?
C4A N2A 1.360(5) . ?
C4A H4A 0.9300 . ?
C5 N2 1.384(5) . ?
C5 C6 1.479(6) . ?
C5A N2A 1.377(4) . ?
C5A C6A 1.481(5) . ?
C6 N1 1.376(5) . ?
C6 C7 1.387(5) . ?
C6A N1A 1.368(4) . ?
C6A C7A 1.387(5) . ?
C7 C8 1.378(6) . ?
C7 H7 0.9300 . ?
C7A C8A 1.394(5) . ?
C7A H7A 0.9300 . ?
C8 C9 1.385(7) . ?
C8 H8 0.9300 . ?
C8A C9A 1.381(5) . ?
C8A H8A 0.9300 . ?
C9 C10 1.367(6) . ?
C9 H9 0.9300 . ?
C9A C10A 1.368(5) . ?
C9A H9A 0.9300 . ?
C10 N1 1.346(5) . ?
C10 H10 0.9300 . ?
C10A N1A 1.356(4) . ?
C10A H10A 0.9300 . ?
C11 C16 1.389(5) . ?
C11 C12 1.405(5) . ?
C11 Pt1 2.018(3) . ?
C12 C13 1.382(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.399(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.379(6) . ?
C14 C17 1.515(5) . ?
C15 C16 1.393(5) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C11A C12A 1.3900 . ?
C11A C16A 1.3900 . ?
C11A Pt2 2.043(6) . ?
C12A C13A 1.3900 . ?
C12A H12A 0.9300 . ?
C13A C14A 1.3900 . ?
C13A H13A 0.9300 . ?
C14A C15A 1.3900 . ?
C14A C17A 1.545(15) . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9300 . ?
C16A H16A 0.9300 . ?
C11X C12X 1.3900 . ?
C11X C16X 1.3900 . ?
C11X Pt2 2.050(6) . ?
C12X C13X 1.3900 . ?
C12X H12X 0.9300 . ?
C13X C14X 1.3900 . ?
C13X H13X 0.9300 . ?
C14X C15X 1.3900 . ?
C14X C17X 1.537(15) . ?
C15X C16X 1.3900 . ?
C15X H15X 0.9300 . ?
C16X H16X 0.9300 . ?
C18 C23 1.375(5) . ?
C18 C19 1.386(5) . ?
C18 P1 1.833(4) . ?
C19 C20 1.386(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.378(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.363(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.392(7) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.379(5) . ?
C24 C29 1.384(5) . ?
C24 P1 1.825(4) . ?
C25 C26 1.378(6) . ?
C25 H25 0.9300 . ?
C26 C27 1.384(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.399(5) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.539(5) . ?
C30 P1 1.830(3) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.540(5) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 P2 1.829(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.378(6) . ?
C33 C38 1.380(6) . ?
C33 P2 1.836(4) . ?
C34 C35 1.397(7) . ?
C34 H34 0.9300 . ?
C35 C36 1.365(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.369(7) . ?
C36 H36 0.9300 . ?
C37 C38 1.375(6) . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C39 C40 1.364(6) . ?
C39 C44 1.389(6) . ?
C39 P2 1.834(4) . ?
C40 C41 1.396(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.346(8) . ?
C41 H41 0.9300 . ?
C42 C43 1.362(7) . ?
C42 H42 0.9300 . ?
C43 C44 1.380(6) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45S C46S 1.556(9) . ?
C45S H45A 0.9600 . ?
C45S H45B 0.9600 . ?
C45S H45C 0.9600 . ?
C46S C47S 1.478(8) . ?
C46S H46A 0.9700 . ?
C46S H46B 0.9700 . ?
C47S C48S 1.502(8) . ?
C47S H47A 0.9700 . ?
C47S H47B 0.9700 . ?
C48S C49S 1.503(8) . ?
C48S H48A 0.9700 . ?
C48S H48B 0.9700 . ?
C49S C50S 1.497(8) . ?
C49S H49A 0.9700 . ?
C49S H49B 0.9700 . ?
C50S H50A 0.9600 . ?
C50S H50B 0.9600 . ?
C50S H50C 0.9600 . ?
N1 Pt1 2.108(3) . ?
N1A Pt2 2.110(3) . ?
N2 O1 1.309(5) . ?
N2A O1A 1.300(4) . ?
P2 Pt2 2.3061(8) . ?
P1 Pt1 2.3109(8) . ?
C17X H17D 0.9600 . ?
C17X H17E 0.9600 . ?
C17X H17F 0.9600 . ?
C17A H17G 0.9600 . ?
C17A H17H 0.9600 . ?
C17A H17I 0.9600 . ?

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
C5 C1 C2 118.5(3) . . ?
C5 C1 Pt1 114.4(3) . . ?
C2 C1 Pt1 127.1(3) . . ?
C2A C1A C5A 118.0(3) . . ?
C2A C1A Pt2 127.9(3) . . ?
C5A C1A Pt2 114.0(2) . . ?
C3 C2 C1 119.5(4) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C3A C2A C1A 119.7(4) . . ?
C3A C2A H2A 120.2 . . ?
C1A C2A H2A 120.2 . . ?
C4 C3 C2 120.8(4) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C4A C3A C2A 120.4(4) . . ?
C4A C3A H3A 119.8 . . ?
C2A C3A H3A 119.8 . . ?
N2 C4 C3 120.4(4) . . ?
N2 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
N2A C4A C3A 120.6(3) . . ?
N2A C4A H4A 119.7 . . ?
C3A C4A H4A 119.7 . . ?
N2 C5 C1 120.6(4) . . ?
N2 C5 C6 121.5(3) . . ?
C1 C5 C6 117.9(3) . . ?
N2A C5A C1A 121.6(3) . . ?
N2A C5A C6A 120.3(3) . . ?
C1A C5A C6A 118.1(3) . . ?
N1 C6 C7 121.0(4) . . ?
N1 C6 C5 112.0(3) . . ?
C7 C6 C5 127.0(4) . . ?
N1A C6A C7A 120.8(3) . . ?
N1A C6A C5A 111.8(3) . . ?
C7A C6A C5A 127.3(3) . . ?
C8 C7 C6 119.8(4) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C6A C7A C8A 120.0(4) . . ?
C6A C7A H7A 120.0 . . ?
C8A C7A H7A 120.0 . . ?
C7 C8 C9 119.2(4) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C9A C8A C7A 118.7(4) . . ?
C9A C8A H8A 120.6 . . ?
C7A C8A H8A 120.6 . . ?
C10 C9 C8 118.8(4) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C10A C9A C8A 119.0(3) . . ?
C10A C9A H9A 120.5 . . ?
C8A C9A H9A 120.5 . . ?
N1 C10 C9 123.6(4) . . ?
N1 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N1A C10A C9A 123.4(4) . . ?
N1A C10A H10A 118.3 . . ?
C9A C10A H10A 118.3 . . ?
C16 C11 C12 116.4(3) . . ?
C16 C11 Pt1 120.1(3) . . ?
C12 C11 Pt1 123.5(3) . . ?
C13 C12 C11 121.7(4) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 121.2(4) . . ?
C12 C13 H13 119.4 . . ?
C14 C13 H13 119.4 . . ?
C15 C14 C13 117.4(4) . . ?
C15 C14 C17 121.3(4) . . ?
C13 C14 C17 121.4(4) . . ?
C14 C15 C16 121.4(4) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C11 C16 C15 121.9(3) . . ?
C11 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12A C11A C16A 120.0 . . ?
C12A C11A Pt2 121.8(5) . . ?
C16A C11A Pt2 118.0(5) . . ?
C13A C12A C11A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C11A C12A H12A 120.0 . . ?
C14A C13A C12A 120.0 . . ?
C14A C13A H13A 120.0 . . ?
C12A C13A H13A 120.0 . . ?
C13A C14A C15A 120.0 . . ?
C13A C14A C17A 120.6(10) . . ?
C15A C14A C17A 119.3(10) . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C15A C16A C11A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C11A C16A H16A 120.0 . . ?
C12X C11X C16X 120.0 . . ?
C12X C11X Pt2 118.2(5) . . ?
C16X C11X Pt2 121.8(5) . . ?
C13X C12X C11X 120.0 . . ?
C13X C12X H12X 120.0 . . ?
C11X C12X H12X 120.0 . . ?
C12X C13X C14X 120.0 . . ?
C12X C13X H13X 120.0 . . ?
C14X C13X H13X 120.0 . . ?
C15X C14X C13X 120.0 . . ?
C15X C14X C17X 119.1(8) . . ?
C13X C14X C17X 120.8(8) . . ?
C14X C15X C16X 120.0 . . ?
C14X C15X H15X 120.0 . . ?
C16X C15X H15X 120.0 . . ?
C15X C16X C11X 120.0 . . ?
C15X C16X H16X 120.0 . . ?
C11X C16X H16X 120.0 . . ?
C23 C18 C19 118.7(4) . . ?
C23 C18 P1 123.5(3) . . ?
C19 C18 P1 117.7(3) . . ?
C18 C19 C20 120.7(4) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C21 C20 C19 119.5(4) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 120.5(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 119.9(4) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C18 C23 C22 120.7(4) . . ?
C18 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C29 118.4(4) . . ?
C25 C24 P1 118.1(3) . . ?
C29 C24 P1 123.6(3) . . ?
C26 C25 C24 121.3(4) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C25 C26 C27 120.2(5) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C28 C27 C26 119.5(4) . . ?
C28 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
C27 C28 C29 120.3(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C24 C29 C28 120.4(4) . . ?
C24 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 P1 114.6(2) . . ?
C31 C30 H30A 108.6 . . ?
P1 C30 H30A 108.6 . . ?
C31 C30 H30B 108.6 . . ?
P1 C30 H30B 108.6 . . ?
H30A C30 H30B 107.6 . . ?
C30 C31 C32 109.0(3) . . ?
C30 C31 H31A 109.9 . . ?
C32 C31 H31A 109.9 . . ?
C30 C31 H31B 109.9 . . ?
C32 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?
C31 C32 P2 115.8(2) . . ?
C31 C32 H32A 108.3 . . ?
P2 C32 H32A 108.3 . . ?
C31 C32 H32B 108.3 . . ?
P2 C32 H32B 108.3 . . ?
H32A C32 H32B 107.4 . . ?
C34 C33 C38 117.1(4) . . ?
C34 C33 P2 118.8(3) . . ?
C38 C33 P2 124.1(3) . . ?
C33 C34 C35 121.3(5) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C36 C35 C34 120.1(5) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 119.2(5) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C36 C37 C38 120.5(5) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C33 121.8(4) . . ?
C37 C38 H38 119.1 . . ?
C33 C38 H38 119.1 . . ?
C40 C39 C44 117.6(4) . . ?
C40 C39 P2 118.3(3) . . ?
C44 C39 P2 123.8(3) . . ?
C39 C40 C41 120.7(4) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C42 C41 C40 121.0(5) . . ?
C42 C41 H41 119.5 . . ?
C40 C41 H41 119.5 . . ?
C41 C42 C43 119.3(4) . . ?
C41 C42 H42 120.4 . . ?
C43 C42 H42 120.4 . . ?
C42 C43 C44 120.5(5) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C43 C44 C39 120.9(5) . . ?
C43 C44 H44 119.5 . . ?
C39 C44 H44 119.5 . . ?
C46S C45S H45A 109.5 . . ?
C46S C45S H45B 109.5 . . ?
H45A C45S H45B 109.5 . . ?
C46S C45S H45C 109.5 . . ?
H45A C45S H45C 109.5 . . ?
H45B C45S H45C 109.5 . . ?
C47S C46S C45S 113.6(5) . . ?
C47S C46S H46A 108.8 . . ?
C45S C46S H46A 108.8 . . ?
C47S C46S H46B 108.8 . . ?
C45S C46S H46B 108.8 . . ?
H46A C46S H46B 107.7 . . ?
C46S C47S C48S 115.9(5) . . ?
C46S C47S H47A 108.3 . . ?
C48S C47S H47A 108.3 . . ?
C46S C47S H47B 108.3 . . ?
C48S C47S H47B 108.3 . . ?
H47A C47S H47B 107.4 . . ?
C47S C48S C49S 115.8(5) . . ?
C47S C48S H48A 108.3 . . ?
C49S C48S H48A 108.3 . . ?
C47S C48S H48B 108.3 . . ?
C49S C48S H48B 108.3 . . ?
H48A C48S H48B 107.4 . . ?
C50S C49S C48S 113.8(5) . . ?
C50S C49S H49A 108.8 . . ?
C48S C49S H49A 108.8 . . ?
C50S C49S H49B 108.8 . . ?
C48S C49S H49B 108.8 . . ?
H49A C49S H49B 107.7 . . ?
C49S C50S H50A 109.5 . . ?
C49S C50S H50B 109.5 . . ?
H50A C50S H50B 109.5 . . ?
C49S C50S H50C 109.5 . . ?
H50A C50S H50C 109.5 . . ?
H50B C50S H50C 109.5 . . ?
C10 N1 C6 117.7(3) . . ?
C10 N1 Pt1 126.1(3) . . ?
C6 N1 Pt1 116.2(3) . . ?
C10A N1A C6A 117.9(3) . . ?
C10A N1A Pt2 126.1(3) . . ?
C6A N1A Pt2 115.9(2) . . ?
O1 N2 C4 117.2(4) . . ?
O1 N2 C5 122.7(4) . . ?
C4 N2 C5 120.0(4) . . ?
O1A N2A C4A 117.6(3) . . ?
O1A N2A C5A 122.8(3) . . ?
C4A N2A C5A 119.6(3) . . ?
C32 P2 C39 100.88(17) . . ?
C32 P2 C33 103.19(17) . . ?
C39 P2 C33 108.30(17) . . ?
C32 P2 Pt2 119.18(12) . . ?
C39 P2 Pt2 111.51(12) . . ?
C33 P2 Pt2 112.65(13) . . ?
C24 P1 C30 104.26(17) . . ?
C24 P1 C18 103.50(16) . . ?
C30 P1 C18 100.86(16) . . ?
C24 P1 Pt1 109.30(12) . . ?
C30 P1 Pt1 116.18(11) . . ?
C18 P1 Pt1 120.86(12) . . ?
C1A Pt2 C11A 92.4(4) . . ?
C1A Pt2 C11X 92.6(4) . . ?
C1A Pt2 N1A 79.45(13) . . ?
C11A Pt2 N1A 169.6(4) . . ?
C11X Pt2 N1A 170.6(4) . . ?
C1A Pt2 P2 176.66(12) . . ?
C11A Pt2 P2 89.6(4) . . ?
C11X Pt2 P2 88.8(4) . . ?
N1A Pt2 P2 98.85(8) . . ?
C11 Pt1 C1 90.90(15) . . ?
C11 Pt1 N1 170.08(13) . . ?
C1 Pt1 N1 79.27(14) . . ?
C11 Pt1 P1 85.69(10) . . ?
C1 Pt1 P1 176.08(11) . . ?
N1 Pt1 P1 104.18(9) . . ?
C14X C17X H17D 109.5 . . ?
C14X C17X H17E 109.5 . . ?
H17D C17X H17E 109.5 . . ?
C14X C17X H17F 109.5 . . ?
H17D C17X H17F 109.5 . . ?
H17E C17X H17F 109.5 . . ?
C14A C17A H17G 109.5 . . ?
C14A C17A H17H 109.5 . . ?
H17G C17A H17H 109.5 . . ?
C14A C17A H17I 109.5 . . ?
H17G C17A H17I 109.5 . . ?
H17H C17A H17I 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
C5 C1 C2 C3 2.7(6) . . . . ?
Pt1 C1 C2 C3 -177.3(3) . . . . ?
C5A C1A C2A C3A -1.1(7) . . . . ?
Pt2 C1A C2A C3A -177.0(4) . . . . ?
C1 C2 C3 C4 -1.7(7) . . . . ?
C1A C2A C3A C4A 1.2(7) . . . . ?
C2 C3 C4 N2 -0.9(7) . . . . ?
C2A C3A C4A N2A -2.1(7) . . . . ?
C2 C1 C5 N2 -1.3(5) . . . . ?
Pt1 C1 C5 N2 178.7(3) . . . . ?
C2 C1 C5 C6 178.5(3) . . . . ?
Pt1 C1 C5 C6 -1.4(4) . . . . ?
C2A C1A C5A N2A 1.9(6) . . . . ?
Pt2 C1A C5A N2A 178.3(3) . . . . ?
C2A C1A C5A C6A 179.7(4) . . . . ?
Pt2 C1A C5A C6A -3.8(4) . . . . ?
N2 C5 C6 N1 177.6(3) . . . . ?
C1 C5 C6 N1 -2.3(5) . . . . ?
N2 C5 C6 C7 -1.5(6) . . . . ?
C1 C5 C6 C7 178.6(4) . . . . ?
N2A C5A C6A N1A 175.1(3) . . . . ?
C1A C5A C6A N1A -2.7(5) . . . . ?
N2A C5A C6A C7A -3.8(6) . . . . ?
C1A C5A C6A C7A 178.3(4) . . . . ?
N1 C6 C7 C8 -0.9(6) . . . . ?
C5 C6 C7 C8 178.1(4) . . . . ?
N1A C6A C7A C8A -2.2(6) . . . . ?
C5A C6A C7A C8A 176.7(4) . . . . ?
C6 C7 C8 C9 0.0(6) . . . . ?
C6A C7A C8A C9A -1.4(6) . . . . ?
C7 C8 C9 C10 0.1(7) . . . . ?
C7A C8A C9A C10A 2.7(6) . . . . ?
C8 C9 C10 N1 0.9(7) . . . . ?
C8A C9A C10A N1A -0.4(6) . . . . ?
C16 C11 C12 C13 2.0(6) . . . . ?
Pt1 C11 C12 C13 -179.7(3) . . . . ?
C11 C12 C13 C14 -0.3(6) . . . . ?
C12 C13 C14 C15 -1.5(6) . . . . ?
C12 C13 C14 C17 177.9(4) . . . . ?
C13 C14 C15 C16 1.6(6) . . . . ?
C17 C14 C15 C16 -177.9(4) . . . . ?
C12 C11 C16 C15 -2.0(5) . . . . ?
Pt1 C11 C16 C15 179.7(3) . . . . ?
C14 C15 C16 C11 0.2(6) . . . . ?
C16A C11A C12A C13A 0.0 . . . . ?
Pt2 C11A C12A C13A -174.7(9) . . . . ?
C11A C12A C13A C14A 0.0 . . . . ?
C12A C13A C14A C15A 0.0 . . . . ?
C12A C13A C14A C17A 178.5(10) . . . . ?
C13A C14A C15A C16A 0.0 . . . . ?
C17A C14A C15A C16A -178.5(10) . . . . ?
C14A C15A C16A C11A 0.0 . . . . ?
C12A C11A C16A C15A 0.0 . . . . ?
Pt2 C11A C16A C15A 174.9(8) . . . . ?
C16X C11X C12X C13X 0.0 . . . . ?
Pt2 C11X C12X C13X -179.3(8) . . . . ?
C11X C12X C13X C14X 0.0 . . . . ?
C12X C13X C14X C15X 0.0 . . . . ?
C12X C13X C14X C17X 176.6(9) . . . . ?
C13X C14X C15X C16X 0.0 . . . . ?
C17X C14X C15X C16X -176.6(9) . . . . ?
C14X C15X C16X C11X 0.0 . . . . ?
C12X C11X C16X C15X 0.0 . . . . ?
Pt2 C11X C16X C15X 179.2(9) . . . . ?
C23 C18 C19 C20 1.1(6) . . . . ?
P1 C18 C19 C20 -177.1(3) . . . . ?
C18 C19 C20 C21 -1.6(7) . . . . ?
C19 C20 C21 C22 1.5(9) . . . . ?
C20 C21 C22 C23 -1.0(11) . . . . ?
C19 C18 C23 C22 -0.6(8) . . . . ?
P1 C18 C23 C22 177.5(5) . . . . ?
C21 C22 C23 C18 0.5(10) . . . . ?
C29 C24 C25 C26 1.7(7) . . . . ?
P1 C24 C25 C26 -177.5(4) . . . . ?
C24 C25 C26 C27 -1.9(9) . . . . ?
C25 C26 C27 C28 0.8(8) . . . . ?
C26 C27 C28 C29 0.5(7) . . . . ?
C25 C24 C29 C28 -0.4(6) . . . . ?
P1 C24 C29 C28 178.7(3) . . . . ?
C27 C28 C29 C24 -0.6(6) . . . . ?
P1 C30 C31 C32 -162.2(2) . . . . ?
C30 C31 C32 P2 -163.8(2) . . . . ?
C38 C33 C34 C35 -1.3(9) . . . . ?
P2 C33 C34 C35 179.7(6) . . . . ?
C33 C34 C35 C36 0.2(12) . . . . ?
C34 C35 C36 C37 1.4(11) . . . . ?
C35 C36 C37 C38 -1.8(9) . . . . ?
C36 C37 C38 C33 0.7(8) . . . . ?
C34 C33 C38 C37 0.9(7) . . . . ?
P2 C33 C38 C37 179.8(4) . . . . ?
C44 C39 C40 C41 2.1(8) . . . . ?
P2 C39 C40 C41 176.3(5) . . . . ?
C39 C40 C41 C42 -0.4(10) . . . . ?
C40 C41 C42 C43 -0.5(10) . . . . ?
C41 C42 C43 C44 -0.4(10) . . . . ?
C42 C43 C44 C39 2.2(11) . . . . ?
C40 C39 C44 C43 -3.0(9) . . . . ?
P2 C39 C44 C43 -176.9(5) . . . . ?
C45S C46S C47S C48S 179.9(6) . . . . ?
C46S C47S C48S C49S 179.8(5) . . . . ?
C47S C48S C49S C50S -175.3(5) . . . . ?
C9 C10 N1 C6 -1.9(6) . . . . ?
C9 C10 N1 Pt1 175.7(3) . . . . ?
C7 C6 N1 C10 1.8(5) . . . . ?
C5 C6 N1 C10 -177.3(3) . . . . ?
C7 C6 N1 Pt1 -176.0(3) . . . . ?
C5 C6 N1 Pt1 4.9(4) . . . . ?
C9A C10A N1A C6A -3.2(6) . . . . ?
C9A C10A N1A Pt2 174.1(3) . . . . ?
C7A C6A N1A C10A 4.4(5) . . . . ?
C5A C6A N1A C10A -174.6(3) . . . . ?
C7A C6A N1A Pt2 -173.1(3) . . . . ?
C5A C6A N1A Pt2 7.8(4) . . . . ?
C3 C4 N2 O1 -177.6(4) . . . . ?
C3 C4 N2 C5 2.4(6) . . . . ?
C1 C5 N2 O1 178.7(4) . . . . ?
C6 C5 N2 O1 -1.1(6) . . . . ?
C1 C5 N2 C4 -1.2(6) . . . . ?
C6 C5 N2 C4 178.9(4) . . . . ?
C3A C4A N2A O1A -176.6(4) . . . . ?
C3A C4A N2A C5A 2.9(6) . . . . ?
C1A C5A N2A O1A 176.7(3) . . . . ?
C6A C5A N2A O1A -1.1(5) . . . . ?
C1A C5A N2A C4A -2.8(6) . . . . ?
C6A C5A N2A C4A 179.4(3) . . . . ?
C31 C32 P2 C39 -164.2(3) . . . . ?
C31 C32 P2 C33 -52.3(3) . . . . ?
C31 C32 P2 Pt2 73.5(3) . . . . ?
C40 C39 P2 C32 -121.2(4) . . . . ?
C44 C39 P2 C32 52.6(5) . . . . ?
C40 C39 P2 C33 130.8(4) . . . . ?
C44 C39 P2 C33 -55.4(5) . . . . ?
C40 C39 P2 Pt2 6.3(4) . . . . ?
C44 C39 P2 Pt2 -179.9(4) . . . . ?
C34 C33 P2 C32 119.7(4) . . . . ?
C38 C33 P2 C32 -59.2(4) . . . . ?
C34 C33 P2 C39 -133.9(4) . . . . ?
C38 C33 P2 C39 47.2(4) . . . . ?
C34 C33 P2 Pt2 -10.1(4) . . . . ?
C38 C33 P2 Pt2 171.0(3) . . . . ?
C25 C24 P1 C30 -161.2(3) . . . . ?
C29 C24 P1 C30 19.6(4) . . . . ?
C25 C24 P1 C18 93.6(4) . . . . ?
C29 C24 P1 C18 -85.5(3) . . . . ?
C25 C24 P1 Pt1 -36.4(4) . . . . ?
C29 C24 P1 Pt1 144.5(3) . . . . ?
C31 C30 P1 C24 -177.8(2) . . . . ?
C31 C30 P1 C18 -70.7(3) . . . . ?
C31 C30 P1 Pt1 61.9(3) . . . . ?
C23 C18 P1 C24 4.8(4) . . . . ?
C19 C18 P1 C24 -177.1(3) . . . . ?
C23 C18 P1 C30 -102.9(4) . . . . ?
C19 C18 P1 C30 75.2(3) . . . . ?
C23 C18 P1 Pt1 127.5(4) . . . . ?
C19 C18 P1 Pt1 -54.4(3) . . . . ?

_refine_diff_density_max         1.902
_refine_diff_density_min         -1.640
_refine_diff_density_rms         0.110



####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1818538'
_audit_update_record             
;
2018-04-10 deposited with the CCDC.
2018-04-13 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT973_2b                  
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt2       2.60 eA-3
RESPONSE: Pt is a heavy metal (third row transition metal), so it is not surprising to have such positive electron density near to Pt.
;
_vrf_PLAT973_2b_2                
;
PROBLEM: Check Calcd Positive Resid. Density on       Pt1       2.05 eA-3
RESPONSE: Pt is a heavy metal (third row transition metal), so it is not surprising to have such positive electron density near to Pt.
;
# Added during the CSD deposition process: Tuesday 10 April 2018 07:45 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C60 H52 Cl2 N4 O2 P2 Pt2'
_chemical_formula_sum            'C60 H52 Cl2 N4 O2 P2 Pt2'
_chemical_formula_weight         1384.07

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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.856(9)
_cell_length_b                   12.742(3)
_cell_length_c                   18.406(4)
_cell_angle_alpha                78.96(2)
_cell_angle_beta                 77.62(4)
_cell_angle_gamma                80.60(4)
_cell_volume                     2644(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    5388
_cell_measurement_theta_min      3.6070
_cell_measurement_theta_max      27.1000

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_F_000             1352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    5.495
_shelx_estimated_absorpt_T_min   0.513
_shelx_estimated_absorpt_T_max   0.771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.98851
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'New Xcalibur, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.0734
_diffrn_reflns_number            30406
_diffrn_reflns_av_unetI/netI     0.1274
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.398
_diffrn_reflns_theta_max         31.964
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.877
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.877
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.877
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             16055
_reflns_number_gt                10688
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    xt
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    xp
_computing_publication_material  shelxtl
_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)+(0.0037P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         16055
_refine_ls_number_parameters     651
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.0828
_refine_ls_wR_factor_gt          0.0702
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2887(5) 0.2025(6) 0.0217(3) 0.0240(16) Uani 1 1 d . . . . .
C1A C 0.6980(5) 0.3455(5) 0.4012(3) 0.0148(13) Uani 1 1 d . . . . .
C1S C -0.0141(7) -0.0219(7) -0.1059(5) 0.061(3) Uani 1 1 d . . . . .
H1S1 H 0.0552 -0.0166 -0.0875 0.073 Uiso 1 1 calc R U . . .
H1S2 H -0.0817 0.0006 -0.0695 0.073 Uiso 1 1 calc R U . . .
C2 C 0.2454(5) 0.2876(6) -0.0296(4) 0.0301(17) Uani 1 1 d . . . . .
H2 H 0.2451 0.3586 -0.0240 0.036 Uiso 1 1 calc R U . . .
C2A C 0.7299(5) 0.3184(5) 0.4717(3) 0.0164(13) Uani 1 1 d . . . . .
H2A H 0.6735 0.3053 0.5149 0.020 Uiso 1 1 calc R U . . .
C3 C 0.2032(6) 0.2654(7) -0.0887(4) 0.038(2) Uani 1 1 d . . . . .
H3 H 0.1767 0.3215 -0.1238 0.045 Uiso 1 1 calc R U . . .
C3A C 0.8447(5) 0.3111(5) 0.4774(4) 0.0235(16) Uani 1 1 d . . . . .
H3A H 0.8658 0.2919 0.5244 0.028 Uiso 1 1 calc R U . . .
C4 C 0.2004(6) 0.1617(7) -0.0955(4) 0.043(2) Uani 1 1 d . . . . .
H4 H 0.1695 0.1481 -0.1346 0.051 Uiso 1 1 calc R U . . .
C4A C 0.9284(5) 0.3320(5) 0.4139(4) 0.0234(16) Uani 1 1 d . . . . .
H4A H 1.0057 0.3266 0.4188 0.028 Uiso 1 1 calc R U . . .
C5 C 0.2912(5) 0.0986(6) 0.0093(4) 0.0278(17) Uani 1 1 d . . . . .
C5A C 0.7852(5) 0.3662(5) 0.3374(3) 0.0149(13) Uani 1 1 d . . . . .
C6 C 0.3483(5) 0.0089(6) 0.0569(4) 0.0258(16) Uani 1 1 d . . . . .
C6A C 0.7513(5) 0.3957(5) 0.2636(3) 0.0191(14) Uani 1 1 d . . . . .
C7 C 0.3808(6) -0.0965(7) 0.0446(4) 0.039(2) Uani 1 1 d . . . . .
H7 H 0.3606 -0.1181 0.0041 0.047 Uiso 1 1 calc R U . . .
C7A C 0.8251(6) 0.4104(6) 0.1935(4) 0.0285(17) Uani 1 1 d . . . . .
H7A H 0.9054 0.4004 0.1901 0.034 Uiso 1 1 calc R U . . .
C8 C 0.4429(6) -0.1702(7) 0.0918(5) 0.042(2) Uani 1 1 d . . . . .
H8 H 0.4624 -0.2416 0.0845 0.050 Uiso 1 1 calc R U . . .
C8A C 0.7774(6) 0.4400(6) 0.1288(4) 0.038(2) Uani 1 1 d . . . . .
H8A H 0.8257 0.4487 0.0816 0.045 Uiso 1 1 calc R U . . .
C9 C 0.4753(6) -0.1356(6) 0.1502(4) 0.0328(18) Uani 1 1 d . . . . .
H9 H 0.5189 -0.1826 0.1821 0.039 Uiso 1 1 calc R U . . .
C9A C 0.6580(6) 0.4564(6) 0.1349(4) 0.0329(19) Uani 1 1 d . . . . .
H9A H 0.6244 0.4777 0.0922 0.039 Uiso 1 1 calc R U . . .
C10 C 0.4414(5) -0.0294(6) 0.1601(4) 0.0291(17) Uani 1 1 d . . . . .
H10 H 0.4631 -0.0066 0.1996 0.035 Uiso 1 1 calc R U . . .
C10A C 0.5909(5) 0.4405(6) 0.2048(4) 0.0270(17) Uani 1 1 d . . . . .
H10A H 0.5105 0.4526 0.2086 0.032 Uiso 1 1 calc R U . . .
C11 C 0.2837(5) 0.3677(5) 0.1086(3) 0.0212(15) Uani 1 1 d . . . . .
C11A C 0.4708(5) 0.3078(5) 0.4873(3) 0.0157(13) Uani 1 1 d . . . . .
C12 C 0.3613(5) 0.4447(6) 0.0790(3) 0.0270(17) Uani 1 1 d . . . . .
H12 H 0.4407 0.4212 0.0685 0.032 Uiso 1 1 calc R U . . .
C12A C 0.4801(5) 0.1988(5) 0.5189(4) 0.0224(15) Uani 1 1 d . . . . .
H12A H 0.5218 0.1485 0.4893 0.027 Uiso 1 1 calc R U . . .
C13 C 0.3239(6) 0.5539(6) 0.0648(4) 0.0303(17) Uani 1 1 d . . . . .
H13 H 0.3791 0.6013 0.0459 0.036 Uiso 1 1 calc R U . . .
C13A C 0.4293(5) 0.1627(6) 0.5929(4) 0.034(2) Uani 1 1 d . . . . .
H13A H 0.4357 0.0892 0.6114 0.040 Uiso 1 1 calc R U . . .
C14 C 0.2074(6) 0.5952(6) 0.0778(4) 0.0310(18) Uani 1 1 d . . . . .
C14A C 0.3688(5) 0.2354(7) 0.6399(4) 0.0313(19) Uani 1 1 d . . . . .
C15 C 0.1303(6) 0.5201(6) 0.1093(4) 0.0314(18) Uani 1 1 d . . . . .
H15 H 0.0514 0.5448 0.1214 0.038 Uiso 1 1 calc R U . . .
C15A C 0.3641(5) 0.3437(7) 0.6103(4) 0.0320(18) Uani 1 1 d . . . . .
H15A H 0.3270 0.3940 0.6410 0.038 Uiso 1 1 calc R U . . .
C16 C 0.1655(6) 0.4103(6) 0.1234(4) 0.0289(17) Uani 1 1 d . . . . .
H16 H 0.1098 0.3637 0.1432 0.035 Uiso 1 1 calc R U . . .
C16A C 0.4132(5) 0.3797(6) 0.5359(3) 0.0216(15) Uani 1 1 d . . . . .
H16A H 0.4076 0.4534 0.5180 0.026 Uiso 1 1 calc R U . . .
C17 C 0.1656(7) 0.7132(6) 0.0605(4) 0.050(2) Uani 1 1 d . . . . .
H17A H 0.1900 0.7510 0.0937 0.074 Uiso 1 1 calc R U . . .
H17B H 0.0821 0.7238 0.0676 0.074 Uiso 1 1 calc R U . . .
H17C H 0.1979 0.7405 0.0092 0.074 Uiso 1 1 calc R U . . .
C17A C 0.3058(6) 0.1969(8) 0.7187(4) 0.059(3) Uani 1 1 d . . . . .
H17D H 0.3063 0.2480 0.7507 0.088 Uiso 1 1 calc R U . . .
H17E H 0.3442 0.1281 0.7380 0.088 Uiso 1 1 calc R U . . .
H17F H 0.2268 0.1900 0.7174 0.088 Uiso 1 1 calc R U . . .
C18 C 0.2680(5) 0.1112(5) 0.3095(3) 0.0200(14) Uani 1 1 d . . . . .
C19 C 0.1474(5) 0.1368(5) 0.3173(4) 0.0243(16) Uani 1 1 d . . . . .
H19 H 0.1165 0.1993 0.2892 0.029 Uiso 1 1 calc R U . . .
C20 C 0.0738(6) 0.0704(6) 0.3662(4) 0.0320(18) Uani 1 1 d . . . . .
H20 H -0.0064 0.0877 0.3700 0.038 Uiso 1 1 calc R U . . .
C21 C 0.1180(6) -0.0211(6) 0.4094(4) 0.0379(19) Uani 1 1 d . . . . .
H21 H 0.0681 -0.0647 0.4434 0.045 Uiso 1 1 calc R U . . .
C22 C 0.2378(6) -0.0480(6) 0.4019(4) 0.0320(18) Uani 1 1 d . . . . .
H22 H 0.2680 -0.1102 0.4308 0.038 Uiso 1 1 calc R U . . .
C23 C 0.3134(5) 0.0177(5) 0.3513(4) 0.0244(15) Uani 1 1 d . . . . .
H23 H 0.3936 -0.0013 0.3459 0.029 Uiso 1 1 calc R U . . .
C24 C 0.5083(5) 0.1677(5) 0.2566(4) 0.0197(14) Uani 1 1 d . . . . .
C25 C 0.5414(5) 0.1408(5) 0.3257(4) 0.0248(16) Uani 1 1 d . . . . .
H25 H 0.4849 0.1384 0.3695 0.030 Uiso 1 1 calc R U . . .
C26 C 0.6585(6) 0.1171(5) 0.3308(4) 0.0320(18) Uani 1 1 d . . . . .
H26 H 0.6795 0.0995 0.3780 0.038 Uiso 1 1 calc R U . . .
C27 C 0.7432(6) 0.1193(6) 0.2670(4) 0.037(2) Uani 1 1 d . . . . .
H27 H 0.8214 0.1029 0.2707 0.044 Uiso 1 1 calc R U . . .
C28 C 0.7114(6) 0.1462(6) 0.1973(4) 0.040(2) Uani 1 1 d . . . . .
H28 H 0.7680 0.1487 0.1536 0.048 Uiso 1 1 calc R U . . .
C29 C 0.5948(5) 0.1694(6) 0.1929(4) 0.0291(18) Uani 1 1 d . . . . .
H29 H 0.5739 0.1866 0.1457 0.035 Uiso 1 1 calc R U . . .
C30 C 0.3083(5) 0.3344(5) 0.2767(3) 0.0166(13) Uani 1 1 d . . . . .
H30A H 0.2241 0.3390 0.2880 0.020 Uiso 1 1 calc R U . . .
H30B H 0.3269 0.3887 0.2328 0.020 Uiso 1 1 calc R U . . .
C31 C 0.2992(5) 0.5296(5) 0.3274(3) 0.0166(13) Uani 1 1 d . . . . .
C32 C 0.1991(5) 0.5681(5) 0.2963(3) 0.0210(15) Uani 1 1 d . . . . .
H32 H 0.1519 0.5201 0.2902 0.025 Uiso 1 1 calc R U . . .
C33 C 0.1711(6) 0.6773(6) 0.2748(4) 0.0287(17) Uani 1 1 d . . . . .
H33 H 0.1066 0.7022 0.2522 0.034 Uiso 1 1 calc R U . . .
C34 C 0.2376(5) 0.7510(6) 0.2863(4) 0.0299(17) Uani 1 1 d . . . . .
H34 H 0.2169 0.8247 0.2728 0.036 Uiso 1 1 calc R U . . .
C35 C 0.3349(5) 0.7127(5) 0.3181(4) 0.0266(16) Uani 1 1 d . . . . .
H35 H 0.3801 0.7611 0.3262 0.032 Uiso 1 1 calc R U . . .
C36 C 0.3657(5) 0.6034(5) 0.3381(3) 0.0211(15) Uani 1 1 d . . . . .
H36 H 0.4319 0.5788 0.3589 0.025 Uiso 1 1 calc R U . . .
C37 C 0.2350(4) 0.3435(5) 0.4365(3) 0.0152(13) Uani 1 1 d . . . . .
C38 C 0.1652(5) 0.4175(6) 0.4786(3) 0.0212(15) Uani 1 1 d . . . . .
H38 H 0.1688 0.4908 0.4621 0.025 Uiso 1 1 calc R U . . .
C39 C 0.0900(5) 0.3840(6) 0.5451(4) 0.0263(16) Uani 1 1 d . . . . .
H39 H 0.0426 0.4345 0.5723 0.032 Uiso 1 1 calc R U . . .
C40 C 0.0860(5) 0.2764(6) 0.5703(4) 0.0266(17) Uani 1 1 d . . . . .
H40 H 0.0369 0.2540 0.6154 0.032 Uiso 1 1 calc R U . . .
C41 C 0.1544(5) 0.1995(6) 0.5296(4) 0.0249(16) Uani 1 1 d . . . . .
H41 H 0.1500 0.1264 0.5462 0.030 Uiso 1 1 calc R U . . .
C42 C 0.2289(5) 0.2347(6) 0.4637(3) 0.0228(15) Uani 1 1 d . . . . .
H42 H 0.2764 0.1839 0.4368 0.027 Uiso 1 1 calc R U . . .
N1 N 0.3793(4) 0.0424(4) 0.1160(3) 0.0239(13) Uani 1 1 d . . . . .
N1A N 0.6330(4) 0.4083(4) 0.2687(3) 0.0170(12) Uani 1 1 d . . . . .
N2 N 0.2413(5) 0.0780(6) -0.0472(3) 0.0361(16) Uani 1 1 d . . . . .
N2A N 0.9010(4) 0.3602(4) 0.3445(3) 0.0225(13) Uani 1 1 d . . . . .
O1 O 0.2292(4) -0.0191(5) -0.0540(3) 0.0498(16) Uani 1 1 d . . . . .
O1A O 0.9848(3) 0.3809(4) 0.2872(3) 0.0349(13) Uani 1 1 d . . . . .
P1 P 0.35858(13) 0.20507(14) 0.24295(9) 0.0184(4) Uani 1 1 d . . . . .
P2 P 0.34620(13) 0.38541(13) 0.35483(9) 0.0143(3) Uani 1 1 d . . . . .
Pt1 Pt 0.33313(2) 0.20815(2) 0.12187(2) 0.02034(7) Uani 1 1 d . . . . .
Pt2 Pt 0.53527(2) 0.35974(2) 0.37795(2) 0.01374(6) Uani 1 1 d . . . . .
Cl1 Cl -0.0154(2) 0.0633(2) -0.19418(15) 0.0779(9) Uani 1 1 d . . . . .
Cl2 Cl -0.01606(18) -0.1567(2) -0.11641(17) 0.0794(9) 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 C5 1.381(9) . ?
C1 C2 1.401(9) . ?
C1 Pt1 2.040(6) . ?
C1A C2A 1.393(7) . ?
C1A C5A 1.404(8) . ?
C1A Pt2 2.036(6) . ?
C1S Cl2 1.770(9) . ?
C1S Cl1 1.774(9) . ?
C1S H1S1 0.9700 . ?
C1S H1S2 0.9700 . ?
C2 C3 1.382(8) . ?
C2 H2 0.9300 . ?
C2A C3A 1.373(7) . ?
C2A H2A 0.9300 . ?
C3 C4 1.356(10) . ?
C3 H3 0.9300 . ?
C3A C4A 1.375(8) . ?
C3A H3A 0.9300 . ?
C4 N2 1.348(9) . ?
C4 H4 0.9300 . ?
C4A N2A 1.353(7) . ?
C4A H4A 0.9300 . ?
C5 N2 1.386(8) . ?
C5 C6 1.466(9) . ?
C5A N2A 1.395(7) . ?
C5A C6A 1.463(7) . ?
C6 N1 1.378(7) . ?
C6 C7 1.384(10) . ?
C6A N1A 1.370(7) . ?
C6A C7A 1.393(8) . ?
C7 C8 1.385(10) . ?
C7 H7 0.9300 . ?
C7A C8A 1.389(8) . ?
C7A H7A 0.9300 . ?
C8 C9 1.382(9) . ?
C8 H8 0.9300 . ?
C8A C9A 1.380(8) . ?
C8A H8A 0.9300 . ?
C9 C10 1.382(9) . ?
C9 H9 0.9300 . ?
C9A C10A 1.358(8) . ?
C9A H9A 0.9300 . ?
C10 N1 1.339(8) . ?
C10 H10 0.9300 . ?
C10A N1A 1.343(7) . ?
C10A H10A 0.9300 . ?
C11 C16 1.405(8) . ?
C11 C12 1.408(9) . ?
C11 Pt1 2.005(7) . ?
C11A C12A 1.396(8) . ?
C11A C16A 1.398(8) . ?
C11A Pt2 2.017(6) . ?
C12 C13 1.382(9) . ?
C12 H12 0.9300 . ?
C12A C13A 1.389(9) . ?
C12A H12A 0.9300 . ?
C13 C14 1.382(8) . ?
C13 H13 0.9300 . ?
C13A C14A 1.395(10) . ?
C13A H13A 0.9300 . ?
C14 C15 1.390(10) . ?
C14 C17 1.500(9) . ?
C14A C15A 1.380(10) . ?
C14A C17A 1.512(9) . ?
C15 C16 1.384(9) . ?
C15 H15 0.9300 . ?
C15A C16A 1.388(9) . ?
C15A H15A 0.9300 . ?
C16 H16 0.9300 . ?
C16A H16A 0.9300 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17A H17D 0.9600 . ?
C17A H17E 0.9600 . ?
C17A H17F 0.9600 . ?
C18 C23 1.385(8) . ?
C18 C19 1.395(8) . ?
C18 P1 1.839(7) . ?
C19 C20 1.379(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.376(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.388(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.400(9) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 C25 1.376(8) . ?
C24 C29 1.382(8) . ?
C24 P1 1.820(6) . ?
C25 C26 1.391(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.371(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.379(9) . ?
C27 H27 0.9300 . ?
C28 C29 1.383(8) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 P1 1.836(6) . ?
C30 P2 1.849(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C36 1.386(8) . ?
C31 C32 1.404(7) . ?
C31 P2 1.837(6) . ?
C32 C33 1.377(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.392(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.382(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.380(8) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.388(8) . ?
C37 C42 1.389(9) . ?
C37 P2 1.832(6) . ?
C38 C39 1.390(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.366(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.393(9) . ?
C40 H40 0.9300 . ?
C41 C42 1.383(8) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
N1 Pt1 2.111(6) . ?
N1A Pt2 2.127(5) . ?
N2 O1 1.301(8) . ?
N2A O1A 1.303(6) . ?
P1 Pt1 2.3043(17) . ?
P2 Pt2 2.330(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C1 C2 118.0(6) . . ?
C5 C1 Pt1 112.9(5) . . ?
C2 C1 Pt1 128.7(5) . . ?
C2A C1A C5A 118.4(5) . . ?
C2A C1A Pt2 127.5(4) . . ?
C5A C1A Pt2 114.1(4) . . ?
Cl2 C1S Cl1 109.5(5) . . ?
Cl2 C1S H1S1 109.8 . . ?
Cl1 C1S H1S1 109.8 . . ?
Cl2 C1S H1S2 109.8 . . ?
Cl1 C1S H1S2 109.8 . . ?
H1S1 C1S H1S2 108.2 . . ?
C3 C2 C1 119.6(7) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C3A C2A C1A 120.0(6) . . ?
C3A C2A H2A 120.0 . . ?
C1A C2A H2A 120.0 . . ?
C4 C3 C2 120.1(7) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C2A C3A C4A 120.4(6) . . ?
C2A C3A H3A 119.8 . . ?
C4A C3A H3A 119.8 . . ?
N2 C4 C3 121.8(7) . . ?
N2 C4 H4 119.1 . . ?
C3 C4 H4 119.1 . . ?
N2A C4A C3A 121.5(5) . . ?
N2A C4A H4A 119.2 . . ?
C3A C4A H4A 119.2 . . ?
C1 C5 N2 121.2(7) . . ?
C1 C5 C6 119.0(6) . . ?
N2 C5 C6 119.8(7) . . ?
N2A C5A C1A 120.7(5) . . ?
N2A C5A C6A 121.0(5) . . ?
C1A C5A C6A 118.3(5) . . ?
N1 C6 C7 120.2(6) . . ?
N1 C6 C5 111.9(6) . . ?
C7 C6 C5 127.7(6) . . ?
N1A C6A C7A 120.6(5) . . ?
N1A C6A C5A 112.4(5) . . ?
C7A C6A C5A 127.0(5) . . ?
C6 C7 C8 120.7(7) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C8A C7A C6A 119.3(6) . . ?
C8A C7A H7A 120.4 . . ?
C6A C7A H7A 120.4 . . ?
C9 C8 C7 118.7(7) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C9A C8A C7A 119.6(6) . . ?
C9A C8A H8A 120.2 . . ?
C7A C8A H8A 120.2 . . ?
C10 C9 C8 118.5(7) . . ?
C10 C9 H9 120.8 . . ?
C8 C9 H9 120.8 . . ?
C10A C9A C8A 118.2(6) . . ?
C10A C9A H9A 120.9 . . ?
C8A C9A H9A 120.9 . . ?
N1 C10 C9 123.7(6) . . ?
N1 C10 H10 118.2 . . ?
C9 C10 H10 118.2 . . ?
N1A C10A C9A 124.3(6) . . ?
N1A C10A H10A 117.9 . . ?
C9A C10A H10A 117.9 . . ?
C16 C11 C12 115.0(6) . . ?
C16 C11 Pt1 121.2(5) . . ?
C12 C11 Pt1 123.6(5) . . ?
C12A C11A C16A 116.0(6) . . ?
C12A C11A Pt2 122.4(5) . . ?
C16A C11A Pt2 121.6(5) . . ?
C13 C12 C11 122.4(6) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C13A C12A C11A 122.3(7) . . ?
C13A C12A H12A 118.9 . . ?
C11A C12A H12A 118.9 . . ?
C12 C13 C14 122.4(7) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C12A C13A C14A 120.8(7) . . ?
C12A C13A H13A 119.6 . . ?
C14A C13A H13A 119.6 . . ?
C13 C14 C15 115.7(7) . . ?
C13 C14 C17 122.8(7) . . ?
C15 C14 C17 121.5(7) . . ?
C15A C14A C13A 117.3(7) . . ?
C15A C14A C17A 121.4(8) . . ?
C13A C14A C17A 121.3(8) . . ?
C16 C15 C14 123.0(7) . . ?
C16 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
C14A C15A C16A 121.9(7) . . ?
C14A C15A H15A 119.0 . . ?
C16A C15A H15A 119.0 . . ?
C15 C16 C11 121.5(7) . . ?
C15 C16 H16 119.2 . . ?
C11 C16 H16 119.2 . . ?
C15A C16A C11A 121.6(7) . . ?
C15A C16A H16A 119.2 . . ?
C11A C16A H16A 119.2 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C14A C17A H17D 109.5 . . ?
C14A C17A H17E 109.5 . . ?
H17D C17A H17E 109.5 . . ?
C14A C17A H17F 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C23 C18 C19 119.3(6) . . ?
C23 C18 P1 123.4(5) . . ?
C19 C18 P1 117.3(5) . . ?
C20 C19 C18 120.7(6) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
C21 C20 C19 120.4(6) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 119.5(7) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C21 C22 C23 120.5(6) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C18 C23 C22 119.5(6) . . ?
C18 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C25 C24 C29 118.0(6) . . ?
C25 C24 P1 124.6(5) . . ?
C29 C24 P1 117.4(5) . . ?
C24 C25 C26 120.7(7) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C27 C26 C25 120.7(7) . . ?
C27 C26 H26 119.7 . . ?
C25 C26 H26 119.7 . . ?
C26 C27 C28 119.3(6) . . ?
C26 C27 H27 120.3 . . ?
C28 C27 H27 120.3 . . ?
C27 C28 C29 119.6(7) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C24 C29 C28 121.8(6) . . ?
C24 C29 H29 119.1 . . ?
C28 C29 H29 119.1 . . ?
P1 C30 P2 129.5(3) . . ?
P1 C30 H30A 104.9 . . ?
P2 C30 H30A 104.9 . . ?
P1 C30 H30B 104.9 . . ?
P2 C30 H30B 104.9 . . ?
H30A C30 H30B 105.8 . . ?
C36 C31 C32 118.8(6) . . ?
C36 C31 P2 118.3(4) . . ?
C32 C31 P2 122.9(5) . . ?
C33 C32 C31 119.7(6) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C32 C33 C34 121.2(6) . . ?
C32 C33 H33 119.4 . . ?
C34 C33 H33 119.4 . . ?
C35 C34 C33 118.8(6) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C36 C35 C34 120.5(6) . . ?
C36 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C35 C36 C31 120.9(6) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C38 C37 C42 117.8(6) . . ?
C38 C37 P2 121.5(5) . . ?
C42 C37 P2 120.2(5) . . ?
C37 C38 C39 121.1(7) . . ?
C37 C38 H38 119.4 . . ?
C39 C38 H38 119.4 . . ?
C40 C39 C38 119.6(7) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 121.1(6) . . ?
C39 C40 H40 119.5 . . ?
C41 C40 H40 119.5 . . ?
C42 C41 C40 118.3(7) . . ?
C42 C41 H41 120.8 . . ?
C40 C41 H41 120.8 . . ?
C41 C42 C37 122.0(6) . . ?
C41 C42 H42 119.0 . . ?
C37 C42 H42 119.0 . . ?
C10 N1 C6 118.2(6) . . ?
C10 N1 Pt1 126.5(5) . . ?
C6 N1 Pt1 115.1(4) . . ?
C10A N1A C6A 117.9(5) . . ?
C10A N1A Pt2 126.4(4) . . ?
C6A N1A Pt2 115.4(4) . . ?
O1 N2 C4 118.7(6) . . ?
O1 N2 C5 122.4(7) . . ?
C4 N2 C5 118.9(7) . . ?
O1A N2A C4A 118.0(5) . . ?
O1A N2A C5A 123.0(5) . . ?
C4A N2A C5A 119.0(5) . . ?
C24 P1 C30 106.2(3) . . ?
C24 P1 C18 108.3(3) . . ?
C30 P1 C18 103.7(3) . . ?
C24 P1 Pt1 114.5(2) . . ?
C30 P1 Pt1 113.40(19) . . ?
C18 P1 Pt1 110.0(2) . . ?
C37 P2 C31 103.9(3) . . ?
C37 P2 C30 104.0(3) . . ?
C31 P2 C30 98.7(3) . . ?
C37 P2 Pt2 114.97(18) . . ?
C31 P2 Pt2 110.2(2) . . ?
C30 P2 Pt2 122.49(19) . . ?
C11 Pt1 C1 90.1(3) . . ?
C11 Pt1 N1 169.6(2) . . ?
C1 Pt1 N1 79.6(2) . . ?
C11 Pt1 P1 91.55(17) . . ?
C1 Pt1 P1 171.81(18) . . ?
N1 Pt1 P1 98.83(15) . . ?
C11A Pt2 C1A 90.6(2) . . ?
C11A Pt2 N1A 169.65(19) . . ?
C1A Pt2 N1A 79.1(2) . . ?
C11A Pt2 P2 88.48(15) . . ?
C1A Pt2 P2 176.50(17) . . ?
N1A Pt2 P2 101.87(13) . . ?

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
C5 C1 C2 C3 2.4(10) . . . . ?
Pt1 C1 C2 C3 -169.8(5) . . . . ?
C5A C1A C2A C3A -0.9(9) . . . . ?
Pt2 C1A C2A C3A 179.3(5) . . . . ?
C1 C2 C3 C4 2.0(11) . . . . ?
C1A C2A C3A C4A 1.0(10) . . . . ?
C2 C3 C4 N2 -2.1(12) . . . . ?
C2A C3A C4A N2A 0.1(11) . . . . ?
C2 C1 C5 N2 -6.8(10) . . . . ?
Pt1 C1 C5 N2 166.5(5) . . . . ?
C2 C1 C5 C6 173.0(6) . . . . ?
Pt1 C1 C5 C6 -13.7(8) . . . . ?
C2A C1A C5A N2A -0.2(9) . . . . ?
Pt2 C1A C5A N2A 179.6(4) . . . . ?
C2A C1A C5A C6A -179.4(5) . . . . ?
Pt2 C1A C5A C6A 0.5(7) . . . . ?
C1 C5 C6 N1 8.2(9) . . . . ?
N2 C5 C6 N1 -172.0(6) . . . . ?
C1 C5 C6 C7 -165.9(7) . . . . ?
N2 C5 C6 C7 13.9(11) . . . . ?
N2A C5A C6A N1A -173.6(6) . . . . ?
C1A C5A C6A N1A 5.6(8) . . . . ?
N2A C5A C6A C7A 6.7(10) . . . . ?
C1A C5A C6A C7A -174.2(7) . . . . ?
N1 C6 C7 C8 1.0(11) . . . . ?
C5 C6 C7 C8 174.6(7) . . . . ?
N1A C6A C7A C8A 1.2(11) . . . . ?
C5A C6A C7A C8A -179.1(7) . . . . ?
C6 C7 C8 C9 -2.1(11) . . . . ?
C6A C7A C8A C9A 1.2(11) . . . . ?
C7 C8 C9 C10 1.8(11) . . . . ?
C7A C8A C9A C10A -1.4(12) . . . . ?
C8 C9 C10 N1 -0.4(11) . . . . ?
C8A C9A C10A N1A -0.9(12) . . . . ?
C16 C11 C12 C13 -0.7(9) . . . . ?
Pt1 C11 C12 C13 174.8(5) . . . . ?
C16A C11A C12A C13A 3.8(8) . . . . ?
Pt2 C11A C12A C13A -175.9(4) . . . . ?
C11 C12 C13 C14 -0.9(11) . . . . ?
C11A C12A C13A C14A -1.8(9) . . . . ?
C12 C13 C14 C15 2.8(10) . . . . ?
C12 C13 C14 C17 -178.1(7) . . . . ?
C12A C13A C14A C15A -1.4(10) . . . . ?
C12A C13A C14A C17A 175.5(6) . . . . ?
C13 C14 C15 C16 -3.3(10) . . . . ?
C17 C14 C15 C16 177.6(7) . . . . ?
C13A C14A C15A C16A 2.5(10) . . . . ?
C17A C14A C15A C16A -174.4(6) . . . . ?
C14 C15 C16 C11 1.9(11) . . . . ?
C12 C11 C16 C15 0.2(9) . . . . ?
Pt1 C11 C16 C15 -175.4(5) . . . . ?
C14A C15A C16A C11A -0.5(9) . . . . ?
C12A C11A C16A C15A -2.6(8) . . . . ?
Pt2 C11A C16A C15A 177.0(4) . . . . ?
C23 C18 C19 C20 0.3(10) . . . . ?
P1 C18 C19 C20 -179.9(5) . . . . ?
C18 C19 C20 C21 1.4(11) . . . . ?
C19 C20 C21 C22 -1.8(11) . . . . ?
C20 C21 C22 C23 0.5(11) . . . . ?
C19 C18 C23 C22 -1.5(10) . . . . ?
P1 C18 C23 C22 178.7(5) . . . . ?
C21 C22 C23 C18 1.2(11) . . . . ?
C29 C24 C25 C26 0.6(10) . . . . ?
P1 C24 C25 C26 -177.6(5) . . . . ?
C24 C25 C26 C27 -0.5(11) . . . . ?
C25 C26 C27 C28 0.5(11) . . . . ?
C26 C27 C28 C29 -0.6(12) . . . . ?
C25 C24 C29 C28 -0.8(11) . . . . ?
P1 C24 C29 C28 177.6(6) . . . . ?
C27 C28 C29 C24 0.8(12) . . . . ?
C36 C31 C32 C33 2.1(9) . . . . ?
P2 C31 C32 C33 -178.0(5) . . . . ?
C31 C32 C33 C34 -2.8(10) . . . . ?
C32 C33 C34 C35 1.7(10) . . . . ?
C33 C34 C35 C36 0.1(10) . . . . ?
C34 C35 C36 C31 -0.7(10) . . . . ?
C32 C31 C36 C35 -0.4(9) . . . . ?
P2 C31 C36 C35 179.7(5) . . . . ?
C42 C37 C38 C39 -1.2(9) . . . . ?
P2 C37 C38 C39 -172.9(4) . . . . ?
C37 C38 C39 C40 1.2(9) . . . . ?
C38 C39 C40 C41 -1.4(9) . . . . ?
C39 C40 C41 C42 1.7(9) . . . . ?
C40 C41 C42 C37 -1.7(9) . . . . ?
C38 C37 C42 C41 1.5(8) . . . . ?
P2 C37 C42 C41 173.3(4) . . . . ?
C9 C10 N1 C6 -0.7(10) . . . . ?
C9 C10 N1 Pt1 -175.6(5) . . . . ?
C7 C6 N1 C10 0.4(10) . . . . ?
C5 C6 N1 C10 -174.2(6) . . . . ?
C7 C6 N1 Pt1 175.8(5) . . . . ?
C5 C6 N1 Pt1 1.3(7) . . . . ?
C9A C10A N1A C6A 3.3(11) . . . . ?
C9A C10A N1A Pt2 -170.4(6) . . . . ?
C7A C6A N1A C10A -3.4(10) . . . . ?
C5A C6A N1A C10A 176.9(6) . . . . ?
C7A C6A N1A Pt2 171.0(5) . . . . ?
C5A C6A N1A Pt2 -8.7(7) . . . . ?
C3 C4 N2 O1 175.6(7) . . . . ?
C3 C4 N2 C5 -2.3(11) . . . . ?
C1 C5 N2 O1 -171.0(6) . . . . ?
C6 C5 N2 O1 9.2(10) . . . . ?
C1 C5 N2 C4 6.9(10) . . . . ?
C6 C5 N2 C4 -172.9(6) . . . . ?
C3A C4A N2A O1A 178.6(6) . . . . ?
C3A C4A N2A C5A -1.2(10) . . . . ?
C1A C5A N2A O1A -178.5(6) . . . . ?
C6A C5A N2A O1A 0.6(10) . . . . ?
C1A C5A N2A C4A 1.3(9) . . . . ?
C6A C5A N2A C4A -179.6(6) . . . . ?
C25 C24 P1 C30 66.9(6) . . . . ?
C29 C24 P1 C30 -111.3(6) . . . . ?
C25 C24 P1 C18 -43.9(7) . . . . ?
C29 C24 P1 C18 137.8(6) . . . . ?
C25 C24 P1 Pt1 -167.1(5) . . . . ?
C29 C24 P1 Pt1 14.7(6) . . . . ?
P2 C30 P1 C24 -33.6(5) . . . . ?
P2 C30 P1 C18 80.5(5) . . . . ?
P2 C30 P1 Pt1 -160.3(3) . . . . ?
C23 C18 P1 C24 -11.0(6) . . . . ?
C19 C18 P1 C24 169.3(5) . . . . ?
C23 C18 P1 C30 -123.5(6) . . . . ?
C19 C18 P1 C30 56.7(5) . . . . ?
C23 C18 P1 Pt1 114.9(5) . . . . ?
C19 C18 P1 Pt1 -64.9(5) . . . . ?
C38 C37 P2 C31 -21.2(5) . . . . ?
C42 C37 P2 C31 167.4(4) . . . . ?
C38 C37 P2 C30 -124.0(5) . . . . ?
C42 C37 P2 C30 64.5(5) . . . . ?
C38 C37 P2 Pt2 99.3(5) . . . . ?
C42 C37 P2 Pt2 -72.2(5) . . . . ?
C36 C31 P2 C37 111.0(5) . . . . ?
C32 C31 P2 C37 -68.9(5) . . . . ?
C36 C31 P2 C30 -142.1(5) . . . . ?
C32 C31 P2 C30 38.0(6) . . . . ?
C36 C31 P2 Pt2 -12.6(5) . . . . ?
C32 C31 P2 Pt2 167.4(4) . . . . ?
P1 C30 P2 C37 -91.4(5) . . . . ?
P1 C30 P2 C31 161.8(4) . . . . ?
P1 C30 P2 Pt2 41.1(5) . . . . ?

_refine_diff_density_max         1.842
_refine_diff_density_min         -1.681
_refine_diff_density_rms         0.238



