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

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

data_Ptppyala_2
_database_code_depnum_ccdc_archive 'CCDC 1058376'
_audit_update_record             
;
2016-01-22 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H14 N2 O2 Pt'
_chemical_formula_weight         437.36
_chemical_absolute_configuration rmad

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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P2(1)2(1)2(1) '
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'

_cell_length_a                   4.0937(4)
_cell_length_b                   10.2147(9)
_cell_length_c                   31.067(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     1299.1(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    200
_cell_measurement_reflns_used    9913
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      28.26
_exptl_crystal_description       Needlle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824
_exptl_absorpt_coefficient_mu    10.800
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.1998
_exptl_absorpt_correction_T_max  0.8130
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            13647
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         1.31
_diffrn_reflns_theta_max         26.37
_reflns_number_total             2638
_reflns_number_gt                2598
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0051P)²+1.0237P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.013(10)
_refine_ls_number_reflns         2638
_refine_ls_number_parameters     173
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0174
_refine_ls_R_factor_gt           0.0167
_refine_ls_wR_factor_ref         0.0350
_refine_ls_wR_factor_gt          0.0347
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_restrained_S_all      1.169
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8764(9) 0.4486(4) 0.75545(12) 0.0238(8) Uani 1 1 d . . .
H1 H 1.1114 0.4591 0.7604 0.029 Uiso 1 1 calc R . .
C2 C 0.7209(10) 0.5812(4) 0.76303(14) 0.0248(9) Uani 1 1 d . . .
C3 C 0.8356(12) 0.3990(4) 0.70955(14) 0.0320(10) Uani 1 1 d . . .
H3A H 0.9583 0.3197 0.7059 0.048 Uiso 1 1 calc R . .
H3B H 0.9140 0.4639 0.6897 0.048 Uiso 1 1 calc R . .
H3C H 0.6087 0.3820 0.7040 0.048 Uiso 1 1 calc R . .
C4 C 0.2237(12) 0.6504(4) 0.88879(15) 0.0327(11) Uani 1 1 d . . .
H4 H 0.2863 0.7029 0.8658 0.039 Uiso 1 1 calc R . .
C5 C 0.0554(14) 0.7074(5) 0.92217(15) 0.0417(12) Uani 1 1 d . . .
H5 H 0.0055 0.7962 0.9219 0.050 Uiso 1 1 calc R . .
C6 C -0.0376(15) 0.6283(5) 0.95627(16) 0.0464(13) Uani 1 1 d . . .
H6 H -0.1529 0.6631 0.9794 0.056 Uiso 1 1 calc R . .
C7 C 0.0437(15) 0.4966(5) 0.95548(15) 0.0426(12) Uani 1 1 d . . .
H7 H -0.0142 0.4432 0.9785 0.051 Uiso 1 1 calc R . .
C8 C 0.2093(10) 0.4441(5) 0.92097(12) 0.0288(9) Uani 1 1 d . . .
C9 C 0.3012(11) 0.3080(4) 0.91463(13) 0.0296(10) Uani 1 1 d . . .
C10 C 0.4681(11) 0.2825(4) 0.87571(12) 0.0269(9) Uani 1 1 d . . .
C11 C 0.5536(12) 0.1525(4) 0.86750(14) 0.0341(10) Uani 1 1 d . . .
H11 H 0.6674 0.1327 0.8424 0.041 Uiso 1 1 calc R . .
C12 C 0.4739(13) 0.0521(4) 0.89567(14) 0.0425(11) Uani 1 1 d . . .
H12 H 0.5325 -0.0337 0.8894 0.051 Uiso 1 1 calc R . .
C13 C 0.3070(13) 0.0805(5) 0.93310(15) 0.0420(12) Uani 1 1 d . . .
H13 H 0.2521 0.0131 0.9519 0.050 Uiso 1 1 calc R . .
C14 C 0.2206(13) 0.2068(5) 0.94303(14) 0.0389(12) Uani 1 1 d . . .
H14 H 0.1095 0.2250 0.9684 0.047 Uiso 1 1 calc R . .
N1 N 0.7562(9) 0.3498(3) 0.78753(11) 0.0251(8) Uani 1 1 d . . .
H1A H 0.9258 0.3014 0.7968 0.030 Uiso 1 1 calc R . .
H1B H 0.6132 0.2957 0.7746 0.030 Uiso 1 1 calc R . .
N2 N 0.3015(9) 0.5240(3) 0.88774(11) 0.0244(8) Uani 1 1 d . . .
O1 O 0.5855(8) 0.6023(2) 0.79966(9) 0.0300(7) Uani 1 1 d . . .
O2 O 0.7373(8) 0.6648(3) 0.73408(10) 0.0313(7) Uani 1 1 d . . .
Pt1 Pt 0.53610(3) 0.436850(14) 0.838823(5) 0.02251(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.501(5) . ?
C1 C2 1.514(6) . ?
C1 C3 1.523(6) . ?
C1 H1 0.9800 . ?
C2 O2 1.243(5) . ?
C2 O1 1.284(5) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 N2 1.331(5) . ?
C4 C5 1.374(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(7) . ?
C6 H6 0.9300 . ?
C7 C8 1.377(6) . ?
C7 H7 0.9300 . ?
C8 N2 1.369(5) . ?
C8 C9 1.454(7) . ?
C9 C14 1.398(6) . ?
C9 C10 1.413(6) . ?
C10 C11 1.397(6) . ?
C10 Pt1 1.969(4) . ?
C11 C12 1.387(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.379(7) . ?
C12 H12 0.9300 . ?
C13 C14 1.373(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
N1 Pt1 2.035(3) . ?
N1 H1A 0.9000 . ?
N1 H1B 0.9000 . ?
N2 Pt1 2.006(4) . ?
O1 Pt1 2.092(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
N1 C1 C2 111.1(3) . . ?
N1 C1 C3 111.2(3) . . ?
C2 C1 C3 113.4(3) . . ?
N1 C1 H1 106.9 . . ?
C2 C1 H1 106.9 . . ?
C3 C1 H1 106.9 . . ?
O2 C2 O1 123.3(4) . . ?
O2 C2 C1 118.7(4) . . ?
O1 C2 C1 118.0(4) . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
N2 C4 C5 123.3(5) . . ?
N2 C4 H4 118.3 . . ?
C5 C4 H4 118.3 . . ?
C4 C5 C6 117.9(4) . . ?
C4 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
C7 C6 C5 119.1(5) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C8 C7 C6 120.7(5) . . ?
C8 C7 H7 119.7 . . ?
C6 C7 H7 119.7 . . ?
N2 C8 C7 119.4(5) . . ?
N2 C8 C9 113.4(4) . . ?
C7 C8 C9 127.3(4) . . ?
C14 C9 C10 121.2(4) . . ?
C14 C9 C8 124.1(4) . . ?
C10 C9 C8 114.7(4) . . ?
C11 C10 C9 116.9(4) . . ?
C11 C10 Pt1 128.3(3) . . ?
C9 C10 Pt1 114.8(3) . . ?
C12 C11 C10 121.9(4) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C13 C12 C11 119.5(4) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C12 121.0(4) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C9 119.5(5) . . ?
C13 C14 H14 120.3 . . ?
C9 C14 H14 120.3 . . ?
C1 N1 Pt1 111.8(2) . . ?
C1 N1 H1A 109.3 . . ?
Pt1 N1 H1A 109.3 . . ?
C1 N1 H1B 109.3 . . ?
Pt1 N1 H1B 109.3 . . ?
H1A N1 H1B 107.9 . . ?
C4 N2 C8 119.6(4) . . ?
C4 N2 Pt1 124.3(3) . . ?
C8 N2 Pt1 116.0(3) . . ?
C2 O1 Pt1 114.9(2) . . ?
C10 Pt1 N2 81.19(16) . . ?
C10 Pt1 N1 99.69(15) . . ?
N2 Pt1 N1 177.44(15) . . ?
C10 Pt1 O1 177.41(17) . . ?
N2 Pt1 O1 97.38(12) . . ?
N1 Pt1 O1 81.65(12) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 O2 -164.3(4) . . . . ?
C3 C1 C2 O2 -38.1(5) . . . . ?
N1 C1 C2 O1 17.5(5) . . . . ?
C3 C1 C2 O1 143.6(4) . . . . ?
N2 C4 C5 C6 -0.2(8) . . . . ?
C4 C5 C6 C7 0.4(9) . . . . ?
C5 C6 C7 C8 -1.2(9) . . . . ?
C6 C7 C8 N2 1.7(8) . . . . ?
C6 C7 C8 C9 -177.6(5) . . . . ?
N2 C8 C9 C14 -176.8(4) . . . . ?
C7 C8 C9 C14 2.5(8) . . . . ?
N2 C8 C9 C10 0.1(5) . . . . ?
C7 C8 C9 C10 179.4(5) . . . . ?
C14 C9 C10 C11 -1.2(7) . . . . ?
C8 C9 C10 C11 -178.2(4) . . . . ?
C14 C9 C10 Pt1 176.7(4) . . . . ?
C8 C9 C10 Pt1 -0.3(5) . . . . ?
C9 C10 C11 C12 1.2(7) . . . . ?
Pt1 C10 C11 C12 -176.4(4) . . . . ?
C10 C11 C12 C13 -0.4(7) . . . . ?
C11 C12 C13 C14 -0.5(8) . . . . ?
C12 C13 C14 C9 0.4(7) . . . . ?
C10 C9 C14 C13 0.4(7) . . . . ?
C8 C9 C14 C13 177.1(5) . . . . ?
C2 C1 N1 Pt1 -16.2(4) . . . . ?
C3 C1 N1 Pt1 -143.5(3) . . . . ?
C5 C4 N2 C8 0.7(7) . . . . ?
C5 C4 N2 Pt1 178.3(4) . . . . ?
C7 C8 N2 C4 -1.5(6) . . . . ?
C9 C8 N2 C4 177.9(4) . . . . ?
C7 C8 N2 Pt1 -179.2(4) . . . . ?
C9 C8 N2 Pt1 0.2(5) . . . . ?
O2 C2 O1 Pt1 171.9(3) . . . . ?
C1 C2 O1 Pt1 -9.9(5) . . . . ?
C11 C10 Pt1 N2 177.9(4) . . . . ?
C9 C10 Pt1 N2 0.3(3) . . . . ?
C11 C10 Pt1 N1 0.4(4) . . . . ?
C9 C10 Pt1 N1 -177.3(3) . . . . ?
C11 C10 Pt1 O1 121(3) . . . . ?
C9 C10 Pt1 O1 -56(3) . . . . ?
C4 N2 Pt1 C10 -177.9(4) . . . . ?
C8 N2 Pt1 C10 -0.3(3) . . . . ?
C4 N2 Pt1 N1 -68(3) . . . . ?
C8 N2 Pt1 N1 110(3) . . . . ?
C4 N2 Pt1 O1 -0.1(4) . . . . ?
C8 N2 Pt1 O1 177.5(3) . . . . ?
C1 N1 Pt1 C10 -173.0(3) . . . . ?
C1 N1 Pt1 N2 77(3) . . . . ?
C1 N1 Pt1 O1 9.2(3) . . . . ?
C2 O1 Pt1 C10 -121(3) . . . . ?
C2 O1 Pt1 N2 -177.5(3) . . . . ?
C2 O1 Pt1 N1 0.1(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1B O2 0.90 1.98 2.846(5) 161.3 3_646
N1 H1A O2 0.90 2.18 2.884(4) 134.2 3_746

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        26.37
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.796
_refine_diff_density_min         -1.094
_refine_diff_density_rms         0.100
####################################################################### 
# 
# 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_Ptppygly_1
_database_code_depnum_ccdc_archive 'CCDC 1058377'
_audit_update_record             
;
2016-01-22 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C13 H12 N2 O2 Pt'
_chemical_formula_weight         423.34

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'Ia   '
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y, z'
'x+1/2, y+1/2, z+1/2'
'x+1, -y+1/2, z+1/2'

_cell_length_a                   17.1936(16)
_cell_length_b                   4.1921(4)
_cell_length_c                   32.515(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.6210(10)
_cell_angle_gamma                90.00
_cell_volume                     2342.7(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    200
_cell_measurement_reflns_used    4581
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      28.43
_exptl_crystal_description       Needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    2.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1584
_exptl_absorpt_coefficient_mu    11.973
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.2218
_exptl_absorpt_correction_T_max  0.7957
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            5076
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.370
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.972
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.972
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.972
_reflns_number_total             2622
_reflns_number_gt                2605
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.972


_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       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'

_refine_special_details          
;
PLAT915_ALERT_3_B Low Friedel Pair Coverage ....(No Flack x Check)         28 %     

Refined as a 2-component perfect inversion twin.

;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_chemical_absolute_configuration ?
_refine_ls_number_reflns         2622
_refine_ls_number_parameters     325
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0185
_refine_ls_R_factor_gt           0.0183
_refine_ls_wR_factor_ref         0.0456
_refine_ls_wR_factor_gt          0.0455
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_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
C1 C 0.7088(6) 0.762(3) -0.0862(3) 0.036(2) Uani 1 1 d . . . . .
H1A H 0.7169 0.9950 -0.0890 0.043 Uiso 1 1 calc R U . . .
H1B H 0.6688 0.6977 -0.1070 0.043 Uiso 1 1 calc R U . . .
C2 C 0.7839(6) 0.594(3) -0.0953(3) 0.032(2) Uani 1 1 d . . . . .
C3 C 0.9022(6) 0.088(2) 0.0102(3) 0.033(2) Uani 1 1 d . . . . .
H3 H 0.9147 0.1296 -0.0176 0.040 Uiso 1 1 calc R U . . .
C4 C 0.9518(6) -0.096(2) 0.0337(3) 0.032(2) Uani 1 1 d . . . . .
H4 H 0.9972 -0.1846 0.0221 0.039 Uiso 1 1 calc R U . . .
C5 C 0.9350(6) -0.153(2) 0.0744(3) 0.037(2) Uani 1 1 d . . . . .
H5 H 0.9690 -0.2777 0.0914 0.044 Uiso 1 1 calc R U . . .
C6 C 0.8684(6) -0.026(2) 0.0896(3) 0.030(2) Uani 1 1 d . . . . .
H6 H 0.8555 -0.0645 0.1174 0.036 Uiso 1 1 calc R U . . .
C7 C 0.8197(6) 0.160(2) 0.0647(3) 0.026(2) Uani 1 1 d . . . . .
C8 C 0.7474(6) 0.311(2) 0.0768(3) 0.029(2) Uani 1 1 d . . . . .
C13 C 0.7077(5) 0.471(2) 0.0441(3) 0.025(2) Uani 1 1 d . . . . .
C12 C 0.6375(6) 0.627(2) 0.0530(3) 0.034(2) Uani 1 1 d . . . . .
H12 H 0.6094 0.7362 0.0317 0.040 Uiso 1 1 calc R U . . .
C11 C 0.6091(6) 0.624(2) 0.0925(4) 0.039(3) Uani 1 1 d . . . . .
H11 H 0.5617 0.7293 0.0981 0.047 Uiso 1 1 calc R U . . .
C10 C 0.6505(6) 0.465(2) 0.1242(3) 0.034(2) Uani 1 1 d . . . . .
H10 H 0.6313 0.4659 0.1513 0.041 Uiso 1 1 calc R U . . .
C9 C 0.7179(6) 0.311(2) 0.1163(3) 0.031(2) Uani 1 1 d . . . . .
H9 H 0.7452 0.2016 0.1379 0.037 Uiso 1 1 calc R U . . .
C14 C 0.4599(6) 0.530(2) 0.4018(3) 0.030(2) Uani 1 1 d . . . . .
H14A H 0.4168 0.4399 0.4177 0.036 Uiso 1 1 calc R U . . .
H14B H 0.4700 0.7488 0.4121 0.036 Uiso 1 1 calc R U . . .
C15 C 0.5320(6) 0.329(2) 0.4095(3) 0.032(2) Uani 1 1 d . . . . .
C16 C 0.6580(6) -0.001(2) 0.2994(3) 0.032(2) Uani 1 1 d . . . . .
H16 H 0.6705 0.0108 0.3280 0.039 Uiso 1 1 calc R U . . .
C17 C 0.7088(6) -0.153(2) 0.2737(4) 0.037(3) Uani 1 1 d . . . . .
H17 H 0.7560 -0.2429 0.2844 0.044 Uiso 1 1 calc R U . . .
C18 C 0.6895(6) -0.172(2) 0.2323(3) 0.038(3) Uani 1 1 d . . . . .
H18 H 0.7230 -0.2792 0.2141 0.045 Uiso 1 1 calc R U . . .
C19 C 0.6209(6) -0.033(2) 0.2171(3) 0.029(2) Uani 1 1 d . . . . .
H19 H 0.6073 -0.0454 0.1886 0.035 Uiso 1 1 calc R U . . .
C20 C 0.5727(5) 0.124(2) 0.2438(3) 0.0252(19) Uani 1 1 d . . . . .
C21 C 0.4991(5) 0.294(2) 0.2333(3) 0.027(2) Uani 1 1 d . . . . .
C26 C 0.4618(6) 0.433(2) 0.2669(3) 0.0249(19) Uani 1 1 d . . . . .
C25 C 0.3956(6) 0.605(2) 0.2588(3) 0.032(2) Uani 1 1 d . . . . .
H25 H 0.3691 0.6993 0.2809 0.038 Uiso 1 1 calc R U . . .
C24 C 0.3662(6) 0.644(2) 0.2186(3) 0.038(2) Uani 1 1 d . . . . .
H24 H 0.3203 0.7656 0.2136 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4036(7) 0.506(2) 0.1865(3) 0.037(2) Uani 1 1 d . . . . .
H23 H 0.3836 0.5332 0.1592 0.044 Uiso 1 1 calc R U . . .
C22 C 0.4697(6) 0.331(2) 0.1934(3) 0.033(2) Uani 1 1 d . . . . .
H22 H 0.4953 0.2352 0.1711 0.039 Uiso 1 1 calc R U . . .
N1 N 0.6794(5) 0.6969(19) -0.0450(2) 0.0313(17) Uani 1 1 d . . . . .
H1C H 0.6352 0.5783 -0.0474 0.038 Uiso 1 1 calc R U . . .
H1D H 0.6672 0.8844 -0.0326 0.038 Uiso 1 1 calc R U . . .
N2 N 0.8366(5) 0.2113(18) 0.0250(2) 0.0276(17) Uani 1 1 d . . . . .
N3 N 0.4352(5) 0.547(2) 0.3581(3) 0.0329(18) Uani 1 1 d . . . . .
H3A H 0.4287 0.7554 0.3508 0.039 Uiso 1 1 calc R U . . .
H3B H 0.3885 0.4473 0.3546 0.039 Uiso 1 1 calc R U . . .
N4 N 0.5911(4) 0.1302(18) 0.2849(2) 0.0264(17) Uani 1 1 d . . . . .
O1 O 0.8185(4) 0.4467(18) -0.0652(2) 0.0367(17) Uani 1 1 d . . . . .
O2 O 0.8093(5) 0.6046(19) -0.1307(2) 0.0402(18) Uani 1 1 d . . . . .
O3 O 0.5679(4) 0.2252(19) 0.37798(19) 0.0363(16) Uani 1 1 d . . . . .
O4 O 0.5548(4) 0.2807(19) 0.4455(2) 0.0405(17) Uani 1 1 d . . . . .
Pt1 Pt 0.75957(2) 0.45853(7) -0.00924(2) 0.02528(9) Uani 1 1 d . . . . .
Pt2 Pt 0.51392(2) 0.34200(7) 0.32106(2) 0.02529(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 N1 1.470(12) . ?
C1 C2 1.508(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 O2 1.243(12) . ?
C2 O1 1.289(14) . ?
C3 N2 1.343(12) . ?
C3 C4 1.366(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.369(14) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(15) . ?
C6 H6 0.9500 . ?
C7 N2 1.350(13) . ?
C7 C8 1.459(13) . ?
C8 C9 1.394(14) . ?
C8 C13 1.416(15) . ?
C13 C12 1.411(13) . ?
C13 Pt1 1.973(10) . ?
C12 C11 1.387(14) . ?
C12 H12 0.9500 . ?
C11 C10 1.402(17) . ?
C11 H11 0.9500 . ?
C10 C9 1.359(14) . ?
C10 H10 0.9500 . ?
C9 H9 0.9500 . ?
C14 N3 1.471(13) . ?
C14 C15 1.514(15) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 O4 1.239(14) . ?
C15 O3 1.288(12) . ?
C16 N4 1.348(13) . ?
C16 C17 1.380(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.381(17) . ?
C17 H17 0.9500 . ?
C18 C19 1.394(15) . ?
C18 H18 0.9500 . ?
C19 C20 1.384(12) . ?
C19 H19 0.9500 . ?
C20 N4 1.364(13) . ?
C20 C21 1.484(14) . ?
C21 C22 1.386(15) . ?
C21 C26 1.409(13) . ?
C26 C25 1.364(14) . ?
C26 Pt2 1.992(10) . ?
C25 C24 1.397(15) . ?
C25 H25 0.9500 . ?
C24 C23 1.371(15) . ?
C24 H24 0.9500 . ?
C23 C22 1.366(15) . ?
C23 H23 0.9500 . ?
C22 H22 0.9500 . ?
N1 Pt1 2.040(8) . ?
N1 H1C 0.9100 . ?
N1 H1D 0.9100 . ?
N2 Pt1 1.995(8) . ?
N3 Pt2 2.030(7) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N4 Pt2 2.005(7) . ?
O1 Pt1 2.107(7) . ?
O3 Pt2 2.105(7) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 114.2(8) . . ?
N1 C1 H1A 108.7 . . ?
C2 C1 H1A 108.7 . . ?
N1 C1 H1B 108.7 . . ?
C2 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
O2 C2 O1 123.6(10) . . ?
O2 C2 C1 119.3(10) . . ?
O1 C2 C1 117.0(9) . . ?
N2 C3 C4 122.4(9) . . ?
N2 C3 H3 118.8 . . ?
C4 C3 H3 118.8 . . ?
C3 C4 C5 119.2(9) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C6 C5 C4 118.6(10) . . ?
C6 C5 H5 120.7 . . ?
C4 C5 H5 120.7 . . ?
C5 C6 C7 120.3(9) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
N2 C7 C6 120.4(9) . . ?
N2 C7 C8 113.4(9) . . ?
C6 C7 C8 126.2(9) . . ?
C9 C8 C13 120.8(10) . . ?
C9 C8 C7 125.7(10) . . ?
C13 C8 C7 113.5(9) . . ?
C12 C13 C8 117.6(9) . . ?
C12 C13 Pt1 127.1(8) . . ?
C8 C13 Pt1 115.3(7) . . ?
C11 C12 C13 120.7(11) . . ?
C11 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C11 C10 120.0(10) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C9 C10 C11 120.4(9) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C9 C8 120.5(10) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
N3 C14 C15 113.6(8) . . ?
N3 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
N3 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
O4 C15 O3 123.4(10) . . ?
O4 C15 C14 118.9(9) . . ?
O3 C15 C14 117.6(9) . . ?
N4 C16 C17 121.7(10) . . ?
N4 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C16 C17 C18 118.5(11) . . ?
C16 C17 H17 120.7 . . ?
C18 C17 H17 120.7 . . ?
C17 C18 C19 119.9(9) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 H18 120.0 . . ?
C20 C19 C18 119.5(9) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
N4 C20 C19 119.9(9) . . ?
N4 C20 C21 113.0(7) . . ?
C19 C20 C21 127.1(9) . . ?
C22 C21 C26 121.0(9) . . ?
C22 C21 C20 123.9(8) . . ?
C26 C21 C20 115.1(9) . . ?
C25 C26 C21 117.7(9) . . ?
C25 C26 Pt2 128.5(7) . . ?
C21 C26 Pt2 113.7(7) . . ?
C26 C25 C24 121.3(9) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C23 C24 C25 119.9(10) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C22 C23 C24 120.4(11) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C22 C21 119.7(9) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C1 N1 Pt1 111.5(6) . . ?
C1 N1 H1C 109.3 . . ?
Pt1 N1 H1C 109.3 . . ?
C1 N1 H1D 109.3 . . ?
Pt1 N1 H1D 109.3 . . ?
H1C N1 H1D 108.0 . . ?
C3 N2 C7 119.1(9) . . ?
C3 N2 Pt1 123.6(7) . . ?
C7 N2 Pt1 117.4(7) . . ?
C14 N3 Pt2 111.9(6) . . ?
C14 N3 H3A 109.2 . . ?
Pt2 N3 H3A 109.2 . . ?
C14 N3 H3B 109.2 . . ?
Pt2 N3 H3B 109.2 . . ?
H3A N3 H3B 107.9 . . ?
C16 N4 C20 120.4(7) . . ?
C16 N4 Pt2 123.3(6) . . ?
C20 N4 Pt2 116.3(6) . . ?
C2 O1 Pt1 114.9(6) . . ?
C15 O3 Pt2 114.4(7) . . ?
C13 Pt1 N2 80.4(4) . . ?
C13 Pt1 N1 100.0(4) . . ?
N2 Pt1 N1 178.0(4) . . ?
C13 Pt1 O1 178.1(4) . . ?
N2 Pt1 O1 98.1(3) . . ?
N1 Pt1 O1 81.6(3) . . ?
C26 Pt2 N4 81.7(4) . . ?
C26 Pt2 N3 98.8(4) . . ?
N4 Pt2 N3 178.8(3) . . ?
C26 Pt2 O3 177.6(4) . . ?
N4 Pt2 O3 97.5(3) . . ?
N3 Pt2 O3 82.0(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 O2 172.2(9) . . . . ?
N1 C1 C2 O1 -8.3(14) . . . . ?
N2 C3 C4 C5 -1.4(15) . . . . ?
C3 C4 C5 C6 0.9(15) . . . . ?
C4 C5 C6 C7 -0.9(15) . . . . ?
C5 C6 C7 N2 1.3(15) . . . . ?
C5 C6 C7 C8 -179.7(9) . . . . ?
N2 C7 C8 C9 -176.5(9) . . . . ?
C6 C7 C8 C9 4.4(15) . . . . ?
N2 C7 C8 C13 2.4(11) . . . . ?
C6 C7 C8 C13 -176.6(9) . . . . ?
C9 C8 C13 C12 -0.3(13) . . . . ?
C7 C8 C13 C12 -179.3(8) . . . . ?
C9 C8 C13 Pt1 178.0(7) . . . . ?
C7 C8 C13 Pt1 -1.0(10) . . . . ?
C8 C13 C12 C11 0.2(14) . . . . ?
Pt1 C13 C12 C11 -177.8(8) . . . . ?
C13 C12 C11 C10 0.3(16) . . . . ?
C12 C11 C10 C9 -0.8(16) . . . . ?
C11 C10 C9 C8 0.8(15) . . . . ?
C13 C8 C9 C10 -0.2(14) . . . . ?
C7 C8 C9 C10 178.7(9) . . . . ?
N3 C14 C15 O4 -175.1(9) . . . . ?
N3 C14 C15 O3 6.8(13) . . . . ?
N4 C16 C17 C18 -0.6(14) . . . . ?
C16 C17 C18 C19 1.4(15) . . . . ?
C17 C18 C19 C20 0.2(15) . . . . ?
C18 C19 C20 N4 -2.6(13) . . . . ?
C18 C19 C20 C21 177.9(9) . . . . ?
N4 C20 C21 C22 177.5(8) . . . . ?
C19 C20 C21 C22 -3.1(15) . . . . ?
N4 C20 C21 C26 0.6(11) . . . . ?
C19 C20 C21 C26 -179.9(9) . . . . ?
C22 C21 C26 C25 0.2(14) . . . . ?
C20 C21 C26 C25 177.2(8) . . . . ?
C22 C21 C26 Pt2 179.2(7) . . . . ?
C20 C21 C26 Pt2 -3.9(10) . . . . ?
C21 C26 C25 C24 -0.6(14) . . . . ?
Pt2 C26 C25 C24 -179.4(7) . . . . ?
C26 C25 C24 C23 0.5(15) . . . . ?
C25 C24 C23 C22 0.0(15) . . . . ?
C24 C23 C22 C21 -0.4(15) . . . . ?
C26 C21 C22 C23 0.3(14) . . . . ?
C20 C21 C22 C23 -176.4(9) . . . . ?
C2 C1 N1 Pt1 10.0(11) . . . . ?
C4 C3 N2 C7 1.8(14) . . . . ?
C4 C3 N2 Pt1 -176.1(7) . . . . ?
C6 C7 N2 C3 -1.7(13) . . . . ?
C8 C7 N2 C3 179.2(8) . . . . ?
C6 C7 N2 Pt1 176.3(7) . . . . ?
C8 C7 N2 Pt1 -2.8(10) . . . . ?
C15 C14 N3 Pt2 -7.3(10) . . . . ?
C17 C16 N4 C20 -1.8(14) . . . . ?
C17 C16 N4 Pt2 178.1(7) . . . . ?
C19 C20 N4 C16 3.4(13) . . . . ?
C21 C20 N4 C16 -177.1(8) . . . . ?
C19 C20 N4 Pt2 -176.5(6) . . . . ?
C21 C20 N4 Pt2 3.0(10) . . . . ?
O2 C2 O1 Pt1 -178.2(8) . . . . ?
C1 C2 O1 Pt1 2.3(12) . . . . ?
O4 C15 O3 Pt2 179.2(8) . . . . ?
C14 C15 O3 Pt2 -2.8(11) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3B O2 0.91 2.05 2.882(12) 152.1 3_445
N3 H3A O2 0.91 2.61 3.212(11) 124.7 3_455
N1 H1D O4 0.91 2.48 3.073(11) 123.4 4_464
N1 H1C O4 0.91 2.05 2.942(11) 165.7 4_454

_refine_diff_density_max         1.704
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.135
####################################################################### 
# 
# 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_ptppyleu_3
_database_code_depnum_ccdc_archive 'CCDC 1058378'
_audit_update_record             
;
2016-01-22 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C17 H20 N2 O2 Pt'
_chemical_formula_weight         479.44
_chemical_absolute_configuration rm

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'

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   'P4(3)   '
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z+3/4'
'y, -x, z+1/4'
'-x, -y, z+1/2'

_cell_length_a                   18.2826(15)
_cell_length_b                   18.2826(15)
_cell_length_c                   20.5735(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6876.8(10)
_cell_formula_units_Z            16
_cell_measurement_temperature    200
_cell_measurement_reflns_used    9855
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      24.49
_exptl_crystal_description       Needle
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3680
_exptl_absorpt_coefficient_mu    8.169
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4696
_exptl_absorpt_correction_T_max  0.7800
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            77754
_diffrn_reflns_av_R_equivalents  0.1262
_diffrn_reflns_av_sigmaI/netI    0.0835
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.11
_diffrn_reflns_theta_max         27.11
_reflns_number_total             15161
_reflns_number_gt                11865
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0557P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(10)
_refine_ls_number_reflns         15161
_refine_ls_number_parameters     801
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0640
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.1112
_refine_ls_wR_factor_gt          0.1053
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_restrained_S_all      0.986
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5828(6) 0.4105(6) 0.1242(6) 0.040(3) Uani 1 1 d . . .
H1 H 0.5362 0.4063 0.0991 0.048 Uiso 1 1 calc R . .
C2 C 0.5658(6) 0.4129(6) 0.1972(5) 0.038(3) Uani 1 1 d . . .
C3 C 0.6328(7) 0.3472(6) 0.1070(6) 0.044(3) Uani 1 1 d . . .
H3A H 0.6816 0.3576 0.1257 0.053 Uiso 1 1 calc R . .
H3B H 0.6385 0.3465 0.0591 0.053 Uiso 1 1 calc R . .
C4 C 0.6100(7) 0.2702(7) 0.1288(8) 0.063(4) Uani 1 1 d . . .
H4 H 0.6044 0.2701 0.1771 0.076 Uiso 1 1 calc R . .
C5 C 0.6680(9) 0.2152(7) 0.1104(9) 0.072(5) Uani 1 1 d . . .
H5A H 0.6538 0.1667 0.1264 0.108 Uiso 1 1 calc R . .
H5B H 0.7148 0.2294 0.1298 0.108 Uiso 1 1 calc R . .
H5C H 0.6729 0.2136 0.0629 0.108 Uiso 1 1 calc R . .
C6 C 0.5388(9) 0.2476(9) 0.0988(10) 0.092(6) Uani 1 1 d . . .
H6A H 0.5405 0.2564 0.0518 0.137 Uiso 1 1 calc R . .
H6B H 0.4989 0.2762 0.1179 0.137 Uiso 1 1 calc R . .
H6C H 0.5304 0.1955 0.1070 0.137 Uiso 1 1 calc R . .
C7 C 0.7461(7) 0.5176(6) 0.3139(6) 0.046(3) Uani 1 1 d . . .
H7 H 0.7007 0.4955 0.3247 0.055 Uiso 1 1 calc R . .
C8 C 0.7936(8) 0.5364(7) 0.3631(7) 0.057(4) Uani 1 1 d . . .
H8 H 0.7808 0.5257 0.4069 0.068 Uiso 1 1 calc R . .
C9 C 0.8578(8) 0.5696(8) 0.3504(8) 0.063(4) Uani 1 1 d . . .
H9 H 0.8900 0.5829 0.3847 0.075 Uiso 1 1 calc R . .
C10 C 0.8758(7) 0.5841(7) 0.2858(7) 0.053(3) Uani 1 1 d . . .
H10 H 0.9207 0.6077 0.2754 0.064 Uiso 1 1 calc R . .
C11 C 0.8270(7) 0.5635(6) 0.2360(7) 0.047(3) Uani 1 1 d . . .
C12 C 0.8371(7) 0.5729(6) 0.1653(7) 0.048(3) Uani 1 1 d . . .
C13 C 0.8986(7) 0.6016(7) 0.1395(8) 0.057(4) Uani 1 1 d . . .
H13 H 0.9376 0.6182 0.1663 0.068 Uiso 1 1 calc R . .
C14 C 0.9024(8) 0.6058(8) 0.0728(9) 0.065(4) Uani 1 1 d . . .
H14 H 0.9447 0.6268 0.0534 0.078 Uiso 1 1 calc R . .
C15 C 0.8477(8) 0.5809(7) 0.0334(8) 0.060(4) Uani 1 1 d . . .
H15 H 0.8524 0.5825 -0.0125 0.072 Uiso 1 1 calc R . .
C16 C 0.7836(7) 0.5526(6) 0.0628(8) 0.055(4) Uani 1 1 d . . .
H16 H 0.7450 0.5366 0.0354 0.066 Uiso 1 1 calc R . .
C17 C 0.7745(6) 0.5473(6) 0.1272(6) 0.035(2) Uani 1 1 d . . .
C18 C 0.4820(6) 0.6012(7) 0.2639(6) 0.042(3) Uani 1 1 d . . .
H18 H 0.4559 0.5611 0.2875 0.051 Uiso 1 1 calc R . .
C19 C 0.4732(7) 0.5895(6) 0.1897(5) 0.039(3) Uani 1 1 d . . .
C20 C 0.4520(8) 0.6742(8) 0.2861(7) 0.060(4) Uani 1 1 d . . .
H20A H 0.4585 0.6777 0.3338 0.072 Uiso 1 1 calc R . .
H20B H 0.4819 0.7134 0.2661 0.072 Uiso 1 1 calc R . .
C21 C 0.3725(10) 0.6892(9) 0.2706(9) 0.082(5) Uani 1 1 d . . .
H21 H 0.3651 0.6857 0.2226 0.098 Uiso 1 1 calc R . .
C22 C 0.3543(14) 0.7678(10) 0.2931(11) 0.131(9) Uani 1 1 d . . .
H22A H 0.3071 0.7679 0.3157 0.197 Uiso 1 1 calc R . .
H22B H 0.3517 0.8002 0.2553 0.197 Uiso 1 1 calc R . .
H22C H 0.3925 0.7852 0.3228 0.197 Uiso 1 1 calc R . .
C23 C 0.3229(11) 0.6368(13) 0.3038(15) 0.146(11) Uani 1 1 d . . .
H23A H 0.3500 0.5921 0.3145 0.218 Uiso 1 1 calc R . .
H23B H 0.2820 0.6247 0.2749 0.218 Uiso 1 1 calc R . .
H23C H 0.3041 0.6589 0.3438 0.218 Uiso 1 1 calc R . .
C24 C 0.6595(6) 0.6974(7) 0.0774(6) 0.045(3) Uani 1 1 d . . .
H24 H 0.6179 0.6695 0.0651 0.054 Uiso 1 1 calc R . .
C25 C 0.7017(8) 0.7304(7) 0.0285(7) 0.056(3) Uani 1 1 d . . .
H25 H 0.6892 0.7256 -0.0161 0.068 Uiso 1 1 calc R . .
C26 C 0.7618(8) 0.7697(7) 0.0479(8) 0.063(4) Uani 1 1 d . . .
H26 H 0.7919 0.7926 0.0161 0.076 Uiso 1 1 calc R . .
C27 C 0.7794(7) 0.7764(7) 0.1137(7) 0.053(3) Uani 1 1 d . . .
H27 H 0.8211 0.8037 0.1268 0.063 Uiso 1 1 calc R . .
C28 C 0.7353(7) 0.7428(7) 0.1596(6) 0.046(3) Uani 1 1 d . . .
C29 C 0.7471(7) 0.7419(6) 0.2284(6) 0.042(3) Uani 1 1 d . . .
C30 C 0.8052(8) 0.7767(7) 0.2586(7) 0.057(4) Uani 1 1 d . . .
H30 H 0.8399 0.8041 0.2343 0.068 Uiso 1 1 calc R . .
C31 C 0.8107(8) 0.7699(8) 0.3265(7) 0.060(4) Uani 1 1 d . . .
H31 H 0.8504 0.7926 0.3484 0.072 Uiso 1 1 calc R . .
C32 C 0.7619(8) 0.7326(7) 0.3610(6) 0.054(3) Uani 1 1 d . . .
H32 H 0.7674 0.7287 0.4068 0.064 Uiso 1 1 calc R . .
C33 C 0.7034(8) 0.6995(7) 0.3306(7) 0.057(4) Uani 1 1 d . . .
H33 H 0.6688 0.6740 0.3565 0.068 Uiso 1 1 calc R . .
C34 C 0.6929(7) 0.7018(6) 0.2627(6) 0.042(3) Uani 1 1 d . . .
C35 C 0.0973(6) 0.9080(6) 0.2655(6) 0.039(3) Uani 1 1 d . . .
H35 H 0.0466 0.9240 0.2541 0.047 Uiso 1 1 calc R . .
C36 C 0.1025(7) 0.8970(6) 0.3388(6) 0.042(3) Uani 1 1 d . . .
C37 C 0.1154(7) 0.8363(7) 0.2283(6) 0.045(3) Uani 1 1 d . . .
H37A H 0.1041 0.8435 0.1817 0.054 Uiso 1 1 calc R . .
H37B H 0.1686 0.8268 0.2320 0.054 Uiso 1 1 calc R . .
C38 C 0.0749(8) 0.7705(6) 0.2520(6) 0.048(3) Uani 1 1 d . . .
H38 H 0.0873 0.7625 0.2988 0.058 Uiso 1 1 calc R . .
C39 C 0.1022(9) 0.7018(7) 0.2115(8) 0.068(4) Uani 1 1 d . . .
H39A H 0.0901 0.7087 0.1655 0.102 Uiso 1 1 calc R . .
H39B H 0.0781 0.6575 0.2277 0.102 Uiso 1 1 calc R . .
H39C H 0.1553 0.6967 0.2163 0.102 Uiso 1 1 calc R . .
C40 C -0.0090(7) 0.7787(8) 0.2459(8) 0.063(4) Uani 1 1 d . . .
H40A H -0.0266 0.8138 0.2783 0.094 Uiso 1 1 calc R . .
H40B H -0.0324 0.7311 0.2532 0.094 Uiso 1 1 calc R . .
H40C H -0.0213 0.7964 0.2022 0.094 Uiso 1 1 calc R . .
C41 C 0.3314(10) 0.9079(8) 0.4127(7) 0.066(4) Uani 1 1 d . . .
H41 H 0.2850 0.8971 0.4311 0.079 Uiso 1 1 calc R . .
C42 C 0.3938(11) 0.8936(11) 0.4488(9) 0.093(6) Uani 1 1 d . . .
H42 H 0.3912 0.8723 0.4908 0.111 Uiso 1 1 calc R . .
C43 C 0.4614(10) 0.9122(12) 0.4202(9) 0.094(6) Uani 1 1 d . . .
H43 H 0.5058 0.9044 0.4432 0.113 Uiso 1 1 calc R . .
C44 C 0.4623(9) 0.9415(10) 0.3595(9) 0.083(5) Uani 1 1 d . . .
H44 H 0.5080 0.9527 0.3397 0.100 Uiso 1 1 calc R . .
C45 C 0.3978(8) 0.9556(7) 0.3258(7) 0.056(4) Uani 1 1 d . . .
C46 C 0.3909(7) 0.9863(7) 0.2604(6) 0.050(3) Uani 1 1 d . . .
C47 C 0.4484(7) 1.0132(8) 0.2230(8) 0.064(4) Uani 1 1 d . . .
H47 H 0.4969 1.0110 0.2396 0.077 Uiso 1 1 calc R . .
C48 C 0.4360(8) 1.0435(8) 0.1617(7) 0.061(4) Uani 1 1 d . . .
H48 H 0.4753 1.0611 0.1359 0.073 Uiso 1 1 calc R . .
C49 C 0.3663(7) 1.0470(7) 0.1401(6) 0.048(3) Uani 1 1 d . . .
H49 H 0.3573 1.0679 0.0986 0.057 Uiso 1 1 calc R . .
C50 C 0.3064(7) 1.0212(6) 0.1765(7) 0.048(3) Uani 1 1 d . . .
H50 H 0.2584 1.0250 0.1590 0.058 Uiso 1 1 calc R . .
C51 C 0.3160(6) 0.9902(6) 0.2373(6) 0.039(3) Uani 1 1 d . . .
C52 C 0.0124(6) 0.0570(6) 0.4187(5) 0.035(2) Uani 1 1 d . . .
H52 H -0.0153 0.0098 0.4206 0.042 Uiso 1 1 calc R . .
C53 C 0.0058(7) 0.0841(6) 0.3495(5) 0.038(3) Uani 1 1 d . . .
C54 C -0.0229(6) 0.1072(6) 0.4687(5) 0.036(2) Uani 1 1 d . . .
H54A H -0.0265 0.0802 0.5103 0.043 Uiso 1 1 calc R . .
H54B H -0.0733 0.1181 0.4542 0.043 Uiso 1 1 calc R . .
C55 C 0.0162(7) 0.1802(7) 0.4820(6) 0.048(3) Uani 1 1 d . . .
H55 H 0.0692 0.1691 0.4885 0.058 Uiso 1 1 calc R . .
C56 C 0.0106(10) 0.2346(8) 0.4270(7) 0.071(4) Uani 1 1 d . . .
H56A H -0.0410 0.2454 0.4183 0.106 Uiso 1 1 calc R . .
H56B H 0.0332 0.2140 0.3879 0.106 Uiso 1 1 calc R . .
H56C H 0.0360 0.2798 0.4391 0.106 Uiso 1 1 calc R . .
C57 C -0.0129(9) 0.2099(8) 0.5455(8) 0.071(4) Uani 1 1 d . . .
H57A H 0.0185 0.2500 0.5604 0.107 Uiso 1 1 calc R . .
H57B H -0.0130 0.1709 0.5782 0.107 Uiso 1 1 calc R . .
H57C H -0.0628 0.2279 0.5392 0.107 Uiso 1 1 calc R . .
C58 C 0.2081(8) 0.1659(6) 0.2535(7) 0.051(3) Uani 1 1 d . . .
H58 H 0.1589 0.1602 0.2394 0.062 Uiso 1 1 calc R . .
C59 C 0.2575(9) 0.1990(7) 0.2124(8) 0.065(4) Uani 1 1 d . . .
H59 H 0.2423 0.2166 0.1711 0.078 Uiso 1 1 calc R . .
C60 C 0.3289(8) 0.2063(8) 0.2316(7) 0.059(4) Uani 1 1 d . . .
H60 H 0.3630 0.2290 0.2032 0.071 Uiso 1 1 calc R . .
C61 C 0.3520(8) 0.1811(7) 0.2915(8) 0.061(4) Uani 1 1 d . . .
H61 H 0.4018 0.1850 0.3044 0.073 Uiso 1 1 calc R . .
C62 C 0.2997(7) 0.1495(6) 0.3327(7) 0.047(3) Uani 1 1 d . . .
C63 C 0.3133(6) 0.1202(7) 0.3960(6) 0.046(3) Uani 1 1 d . . .
C64 C 0.3790(7) 0.1200(9) 0.4275(9) 0.066(4) Uani 1 1 d . . .
H64 H 0.4207 0.1404 0.4067 0.080 Uiso 1 1 calc R . .
C65 C 0.3860(8) 0.0906(10) 0.4896(9) 0.079(5) Uani 1 1 d . . .
H65 H 0.4320 0.0917 0.5110 0.095 Uiso 1 1 calc R . .
C66 C 0.3270(8) 0.0600(9) 0.5200(8) 0.068(4) Uani 1 1 d . . .
H66 H 0.3327 0.0397 0.5623 0.082 Uiso 1 1 calc R . .
C67 C 0.2594(7) 0.0581(8) 0.4904(7) 0.054(3) Uani 1 1 d . . .
H67 H 0.2197 0.0359 0.5126 0.064 Uiso 1 1 calc R . .
C68 C 0.2475(7) 0.0882(7) 0.4282(7) 0.050(3) Uani 1 1 d . . .
N1 N 0.6203(5) 0.4817(5) 0.1076(5) 0.043(2) Uani 1 1 d . . .
H1A H 0.5864 0.5187 0.1049 0.051 Uiso 1 1 calc R . .
H1B H 0.6435 0.4777 0.0680 0.051 Uiso 1 1 calc R . .
N2 N 0.7619(5) 0.5293(5) 0.2523(5) 0.037(2) Uani 1 1 d . . .
N3 N 0.5604(5) 0.5980(5) 0.2796(5) 0.042(2) Uani 1 1 d . . .
H3C H 0.5756 0.5501 0.2808 0.051 Uiso 1 1 calc R . .
H3D H 0.5685 0.6183 0.3199 0.051 Uiso 1 1 calc R . .
N4 N 0.6751(5) 0.7036(5) 0.1387(4) 0.037(2) Uani 1 1 d . . .
N5 N 0.1489(5) 0.9646(5) 0.2464(4) 0.039(2) Uani 1 1 d . . .
H5D H 0.1294 1.0100 0.2546 0.047 Uiso 1 1 calc R . .
H5E H 0.1586 0.9612 0.2026 0.047 Uiso 1 1 calc R . .
N6 N 0.3340(6) 0.9356(6) 0.3539(5) 0.050(3) Uani 1 1 d . . .
N7 N 0.0903(5) 0.0389(5) 0.4356(4) 0.033(2) Uani 1 1 d . . .
H7A H 0.0974 -0.0108 0.4324 0.040 Uiso 1 1 calc R . .
H7B H 0.0997 0.0527 0.4778 0.040 Uiso 1 1 calc R . .
N8 N 0.2272(5) 0.1414(5) 0.3133(4) 0.037(2) Uani 1 1 d . . .
O1 O 0.6087(4) 0.4536(4) 0.2315(3) 0.0381(18) Uani 1 1 d . . .
O2 O 0.5137(4) 0.3774(4) 0.2176(4) 0.0453(19) Uani 1 1 d . . .
O3 O 0.5299(4) 0.6070(4) 0.1560(4) 0.0400(19) Uani 1 1 d . . .
O4 O 0.4158(5) 0.5652(5) 0.1682(4) 0.054(2) Uani 1 1 d . . .
O5 O 0.1691(5) 0.9045(5) 0.3635(4) 0.052(2) Uani 1 1 d . . .
O6 O 0.0480(5) 0.8838(5) 0.3728(5) 0.056(2) Uani 1 1 d . . .
O7 O 0.0657(4) 0.0932(4) 0.3164(3) 0.0421(19) Uani 1 1 d . . .
O8 O -0.0560(4) 0.0943(5) 0.3271(4) 0.045(2) Uani 1 1 d . . .
Pt1 Pt 0.69466(2) 0.50479(2) 0.17827(2) 0.03621(11) Uani 1 1 d . . .
Pt2 Pt 0.61796(2) 0.65400(2) 0.21090(2) 0.03710(11) Uani 1 1 d . . .
Pt3 Pt 0.24383(3) 0.95104(2) 0.29840(2) 0.03929(11) Uani 1 1 d . . .
Pt4 Pt 0.16050(2) 0.09165(2) 0.37476(2) 0.03499(10) 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 N1 1.510(15) . ?
C1 C3 1.516(16) . ?
C1 C2 1.534(16) . ?
C1 H1 1.0000 . ?
C2 O2 1.227(13) . ?
C2 O1 1.291(13) . ?
C3 C4 1.535(18) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C6 1.50(2) . ?
C4 C5 1.510(18) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 N2 1.317(16) . ?
C7 C8 1.378(17) . ?
C7 H7 0.9500 . ?
C8 C9 1.35(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.40(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.409(18) . ?
C10 H10 0.9500 . ?
C11 N2 1.387(15) . ?
C11 C12 1.477(19) . ?
C12 C13 1.350(18) . ?
C12 C17 1.464(17) . ?
C13 C14 1.38(2) . ?
C13 H13 0.9500 . ?
C14 C15 1.37(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.416(18) . ?
C15 H15 0.9500 . ?
C16 C17 1.338(18) . ?
C16 H16 0.9500 . ?
C17 Pt1 1.959(11) . ?
C18 N3 1.471(15) . ?
C18 C20 1.514(18) . ?
C18 C19 1.551(17) . ?
C18 H18 1.0000 . ?
C19 O4 1.221(15) . ?
C19 O3 1.287(14) . ?
C20 C21 1.51(2) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C23 1.49(3) . ?
C21 C22 1.55(2) . ?
C21 H21 1.0000 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 N4 1.299(16) . ?
C24 C25 1.403(18) . ?
C24 H24 0.9500 . ?
C25 C26 1.37(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.40(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.385(17) . ?
C27 H27 0.9500 . ?
C28 N4 1.384(15) . ?
C28 C29 1.432(18) . ?
C29 C30 1.384(17) . ?
C29 C34 1.419(16) . ?
C30 C31 1.41(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.327(19) . ?
C31 H31 0.9500 . ?
C32 C33 1.379(18) . ?
C32 H32 0.9500 . ?
C33 C34 1.411(17) . ?
C33 H33 0.9500 . ?
C34 Pt2 1.944(12) . ?
C35 N5 1.456(14) . ?
C35 C36 1.524(15) . ?
C35 C37 1.553(16) . ?
C35 H35 1.0000 . ?
C36 O6 1.241(15) . ?
C36 O5 1.326(15) . ?
C37 C38 1.495(16) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C40 1.547(18) . ?
C38 C39 1.588(18) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 N6 1.312(17) . ?
C41 C42 1.39(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.41(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.36(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.39(2) . ?
C44 H44 0.9500 . ?
C45 N6 1.353(18) . ?
C45 C46 1.462(19) . ?
C46 C47 1.393(19) . ?
C46 C51 1.452(17) . ?
C47 C48 1.40(2) . ?
C47 H47 0.9500 . ?
C48 C49 1.351(18) . ?
C48 H48 0.9500 . ?
C49 C50 1.409(17) . ?
C49 H49 0.9500 . ?
C50 C51 1.384(17) . ?
C50 H50 0.9500 . ?
C51 Pt3 1.958(12) . ?
C52 N7 1.504(13) . ?
C52 C53 1.512(15) . ?
C52 C54 1.522(15) . ?
C52 H52 1.0000 . ?
C53 O8 1.236(14) . ?
C53 O7 1.301(13) . ?
C54 C55 1.537(15) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.51(2) . ?
C55 C57 1.512(19) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 N8 1.356(17) . ?
C58 C59 1.377(18) . ?
C58 H58 0.9500 . ?
C59 C60 1.37(2) . ?
C59 H59 0.9500 . ?
C60 C61 1.38(2) . ?
C60 H60 0.9500 . ?
C61 C62 1.402(17) . ?
C61 H61 0.9500 . ?
C62 N8 1.392(15) . ?
C62 C63 1.429(19) . ?
C63 C64 1.365(18) . ?
C63 C68 1.493(16) . ?
C64 C65 1.39(2) . ?
C64 H64 0.9500 . ?
C65 C66 1.37(2) . ?
C65 H65 0.9500 . ?
C66 C67 1.378(19) . ?
C66 H66 0.9500 . ?
C67 C68 1.411(19) . ?
C67 H67 0.9500 . ?
C68 Pt4 1.934(14) . ?
N1 Pt1 2.035(10) . ?
N1 H1A 0.9200 . ?
N1 H1B 0.9200 . ?
N2 Pt1 2.007(10) . ?
N3 Pt2 2.039(10) . ?
N3 H3C 0.9200 . ?
N3 H3D 0.9200 . ?
N4 Pt2 2.029(9) . ?
N5 Pt3 2.054(9) . ?
N5 H5D 0.9200 . ?
N5 H5E 0.9200 . ?
N6 Pt3 2.026(11) . ?
N7 Pt4 2.035(9) . ?
N7 H7A 0.9200 . ?
N7 H7B 0.9200 . ?
N8 Pt4 1.978(9) . ?
O1 Pt1 2.132(7) . ?
O3 Pt2 2.147(8) . ?
O5 Pt3 2.094(9) . ?
O7 Pt4 2.109(8) . ?
Pt1 Pt2 3.1398(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C3 109.3(9) . . ?
N1 C1 C2 106.8(9) . . ?
C3 C1 C2 111.9(10) . . ?
N1 C1 H1 109.6 . . ?
C3 C1 H1 109.6 . . ?
C2 C1 H1 109.6 . . ?
O2 C2 O1 126.2(10) . . ?
O2 C2 C1 118.5(10) . . ?
O1 C2 C1 115.3(10) . . ?
C1 C3 C4 117.9(10) . . ?
C1 C3 H3A 107.8 . . ?
C4 C3 H3A 107.8 . . ?
C1 C3 H3B 107.8 . . ?
C4 C3 H3B 107.8 . . ?
H3A C3 H3B 107.2 . . ?
C6 C4 C5 108.8(13) . . ?
C6 C4 C3 111.6(14) . . ?
C5 C4 C3 110.3(11) . . ?
C6 C4 H4 108.7 . . ?
C5 C4 H4 108.7 . . ?
C3 C4 H4 108.7 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N2 C7 C8 121.9(12) . . ?
N2 C7 H7 119.0 . . ?
C8 C7 H7 119.0 . . ?
C9 C8 C7 121.3(14) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 118.5(13) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
C9 C10 C11 119.5(12) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
N2 C11 C10 119.3(12) . . ?
N2 C11 C12 113.4(11) . . ?
C10 C11 C12 127.3(12) . . ?
C13 C12 C17 124.5(13) . . ?
C13 C12 C11 122.4(13) . . ?
C17 C12 C11 113.2(11) . . ?
C12 C13 C14 117.1(14) . . ?
C12 C13 H13 121.5 . . ?
C14 C13 H13 121.5 . . ?
C15 C14 C13 122.4(13) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C14 C15 C16 118.4(15) . . ?
C14 C15 H15 120.8 . . ?
C16 C15 H15 120.8 . . ?
C17 C16 C15 123.5(14) . . ?
C17 C16 H16 118.2 . . ?
C15 C16 H16 118.2 . . ?
C16 C17 C12 114.2(11) . . ?
C16 C17 Pt1 130.8(10) . . ?
C12 C17 Pt1 114.9(9) . . ?
N3 C18 C20 108.7(10) . . ?
N3 C18 C19 108.2(10) . . ?
C20 C18 C19 112.4(10) . . ?
N3 C18 H18 109.2 . . ?
C20 C18 H18 109.2 . . ?
C19 C18 H18 109.2 . . ?
O4 C19 O3 126.0(11) . . ?
O4 C19 C18 119.7(11) . . ?
O3 C19 C18 114.3(11) . . ?
C21 C20 C18 116.4(13) . . ?
C21 C20 H20A 108.2 . . ?
C18 C20 H20A 108.2 . . ?
C21 C20 H20B 108.2 . . ?
C18 C20 H20B 108.2 . . ?
H20A C20 H20B 107.4 . . ?
C23 C21 C20 111.9(17) . . ?
C23 C21 C22 109.3(17) . . ?
C20 C21 C22 108.2(17) . . ?
C23 C21 H21 109.1 . . ?
C20 C21 H21 109.1 . . ?
C22 C21 H21 109.1 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N4 C24 C25 122.5(12) . . ?
N4 C24 H24 118.7 . . ?
C25 C24 H24 118.7 . . ?
C26 C25 C24 117.3(14) . . ?
C26 C25 H25 121.3 . . ?
C24 C25 H25 121.3 . . ?
C25 C26 C27 120.7(13) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 119.2(12) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
N4 C28 C27 118.8(12) . . ?
N4 C28 C29 114.9(11) . . ?
C27 C28 C29 126.3(12) . . ?
C30 C29 C34 123.4(11) . . ?
C30 C29 C28 123.6(11) . . ?
C34 C29 C28 113.1(11) . . ?
C29 C30 C31 117.3(13) . . ?
C29 C30 H30 121.3 . . ?
C31 C30 H30 121.3 . . ?
C32 C31 C30 121.9(14) . . ?
C32 C31 H31 119.1 . . ?
C30 C31 H31 119.1 . . ?
C31 C32 C33 120.3(13) . . ?
C31 C32 H32 119.9 . . ?
C33 C32 H32 119.9 . . ?
C32 C33 C34 122.8(13) . . ?
C32 C33 H33 118.6 . . ?
C34 C33 H33 118.6 . . ?
C33 C34 C29 114.4(12) . . ?
C33 C34 Pt2 128.7(10) . . ?
C29 C34 Pt2 116.9(9) . . ?
N5 C35 C36 108.7(10) . . ?
N5 C35 C37 109.2(9) . . ?
C36 C35 C37 111.3(9) . . ?
N5 C35 H35 109.2 . . ?
C36 C35 H35 109.2 . . ?
C37 C35 H35 109.2 . . ?
O6 C36 O5 122.8(11) . . ?
O6 C36 C35 122.2(12) . . ?
O5 C36 C35 115.0(11) . . ?
C38 C37 C35 114.3(10) . . ?
C38 C37 H37A 108.7 . . ?
C35 C37 H37A 108.7 . . ?
C38 C37 H37B 108.7 . . ?
C35 C37 H37B 108.7 . . ?
H37A C37 H37B 107.6 . . ?
C37 C38 C40 112.8(11) . . ?
C37 C38 C39 108.0(10) . . ?
C40 C38 C39 110.2(11) . . ?
C37 C38 H38 108.6 . . ?
C40 C38 H38 108.6 . . ?
C39 C38 H38 108.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N6 C41 C42 122.4(17) . . ?
N6 C41 H41 118.8 . . ?
C42 C41 H41 118.8 . . ?
C41 C42 C43 116.9(16) . . ?
C41 C42 H42 121.6 . . ?
C43 C42 H42 121.6 . . ?
C44 C43 C42 119.4(16) . . ?
C44 C43 H43 120.3 . . ?
C42 C43 H43 120.3 . . ?
C43 C44 C45 121.3(17) . . ?
C43 C44 H44 119.3 . . ?
C45 C44 H44 119.3 . . ?
N6 C45 C44 117.8(14) . . ?
N6 C45 C46 115.0(12) . . ?
C44 C45 C46 127.1(15) . . ?
C47 C46 C51 121.0(13) . . ?
C47 C46 C45 125.3(13) . . ?
C51 C46 C45 113.7(12) . . ?
C46 C47 C48 121.1(13) . . ?
C46 C47 H47 119.5 . . ?
C48 C47 H47 119.5 . . ?
C49 C48 C47 118.0(13) . . ?
C49 C48 H48 121.0 . . ?
C47 C48 H48 121.0 . . ?
C48 C49 C50 122.9(13) . . ?
C48 C49 H49 118.5 . . ?
C50 C49 H49 118.5 . . ?
C51 C50 C49 121.3(12) . . ?
C51 C50 H50 119.4 . . ?
C49 C50 H50 119.4 . . ?
C50 C51 C46 115.8(11) . . ?
C50 C51 Pt3 130.1(10) . . ?
C46 C51 Pt3 114.0(9) . . ?
N7 C52 C53 111.4(9) . . ?
N7 C52 C54 112.1(8) . . ?
C53 C52 C54 113.9(9) . . ?
N7 C52 H52 106.2 . . ?
C53 C52 H52 106.2 . . ?
C54 C52 H52 106.2 . . ?
O8 C53 O7 123.8(11) . . ?
O8 C53 C52 118.3(10) . . ?
O7 C53 C52 118.0(10) . . ?
C52 C54 C55 116.6(9) . . ?
C52 C54 H54A 108.1 . . ?
C55 C54 H54A 108.1 . . ?
C52 C54 H54B 108.1 . . ?
C55 C54 H54B 108.1 . . ?
H54A C54 H54B 107.3 . . ?
C56 C55 C57 112.8(12) . . ?
C56 C55 C54 114.0(11) . . ?
C57 C55 C54 107.6(11) . . ?
C56 C55 H55 107.3 . . ?
C57 C55 H55 107.3 . . ?
C54 C55 H55 107.3 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N8 C58 C59 122.2(14) . . ?
N8 C58 H58 118.9 . . ?
C59 C58 H58 118.9 . . ?
C60 C59 C58 119.4(16) . . ?
C60 C59 H59 120.3 . . ?
C58 C59 H59 120.3 . . ?
C59 C60 C61 121.1(13) . . ?
C59 C60 H60 119.5 . . ?
C61 C60 H60 119.5 . . ?
C60 C61 C62 117.9(13) . . ?
C60 C61 H61 121.1 . . ?
C62 C61 H61 121.1 . . ?
N8 C62 C61 121.3(13) . . ?
N8 C62 C63 112.8(10) . . ?
C61 C62 C63 125.9(13) . . ?
C64 C63 C62 126.0(12) . . ?
C64 C63 C68 119.8(13) . . ?
C62 C63 C68 114.3(11) . . ?
C63 C64 C65 121.2(14) . . ?
C63 C64 H64 119.4 . . ?
C65 C64 H64 119.4 . . ?
C66 C65 C64 120.4(14) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C65 C66 C67 121.0(15) . . ?
C65 C66 H66 119.5 . . ?
C67 C66 H66 119.5 . . ?
C66 C67 C68 122.1(13) . . ?
C66 C67 H67 119.0 . . ?
C68 C67 H67 119.0 . . ?
C67 C68 C63 115.5(12) . . ?
C67 C68 Pt4 131.0(9) . . ?
C63 C68 Pt4 113.4(10) . . ?
C1 N1 Pt1 108.7(7) . . ?
C1 N1 H1A 109.9 . . ?
Pt1 N1 H1A 109.9 . . ?
C1 N1 H1B 109.9 . . ?
Pt1 N1 H1B 109.9 . . ?
H1A N1 H1B 108.3 . . ?
C7 N2 C11 119.6(11) . . ?
C7 N2 Pt1 124.0(8) . . ?
C11 N2 Pt1 116.3(9) . . ?
C18 N3 Pt2 109.3(7) . . ?
C18 N3 H3C 109.8 . . ?
Pt2 N3 H3C 109.8 . . ?
C18 N3 H3D 109.8 . . ?
Pt2 N3 H3D 109.8 . . ?
H3C N3 H3D 108.3 . . ?
C24 N4 C28 121.4(10) . . ?
C24 N4 Pt2 124.0(8) . . ?
C28 N4 Pt2 114.5(8) . . ?
C35 N5 Pt3 108.7(7) . . ?
C35 N5 H5D 109.9 . . ?
Pt3 N5 H5D 109.9 . . ?
C35 N5 H5E 109.9 . . ?
Pt3 N5 H5E 109.9 . . ?
H5D N5 H5E 108.3 . . ?
C41 N6 C45 122.1(13) . . ?
C41 N6 Pt3 122.9(11) . . ?
C45 N6 Pt3 115.0(9) . . ?
C52 N7 Pt4 110.5(6) . . ?
C52 N7 H7A 109.5 . . ?
Pt4 N7 H7A 109.5 . . ?
C52 N7 H7B 109.5 . . ?
Pt4 N7 H7B 109.5 . . ?
H7A N7 H7B 108.1 . . ?
C58 N8 C62 118.1(11) . . ?
C58 N8 Pt4 125.0(8) . . ?
C62 N8 Pt4 116.9(8) . . ?
C2 O1 Pt1 114.9(7) . . ?
C19 O3 Pt2 114.9(7) . . ?
C36 O5 Pt3 113.3(7) . . ?
C53 O7 Pt4 113.1(7) . . ?
C17 Pt1 N2 82.1(4) . . ?
C17 Pt1 N1 101.3(4) . . ?
N2 Pt1 N1 175.8(4) . . ?
C17 Pt1 O1 177.2(4) . . ?
N2 Pt1 O1 99.2(3) . . ?
N1 Pt1 O1 77.5(3) . . ?
C17 Pt1 Pt2 95.9(3) . . ?
N2 Pt1 Pt2 85.3(3) . . ?
N1 Pt1 Pt2 92.0(3) . . ?
O1 Pt1 Pt2 86.7(2) . . ?
C34 Pt2 N4 80.6(5) . . ?
C34 Pt2 N3 102.1(5) . . ?
N4 Pt2 N3 176.1(4) . . ?
C34 Pt2 O3 175.9(4) . . ?
N4 Pt2 O3 100.3(3) . . ?
N3 Pt2 O3 77.1(3) . . ?
C34 Pt2 Pt1 101.1(3) . . ?
N4 Pt2 Pt1 90.1(2) . . ?
N3 Pt2 Pt1 86.7(3) . . ?
O3 Pt2 Pt1 82.8(2) . . ?
C51 Pt3 N6 82.2(5) . . ?
C51 Pt3 N5 101.0(4) . . ?
N6 Pt3 N5 176.8(4) . . ?
C51 Pt3 O5 177.3(4) . . ?
N6 Pt3 O5 96.5(4) . . ?
N5 Pt3 O5 80.3(4) . . ?
C68 Pt4 N8 82.6(5) . . ?
C68 Pt4 N7 98.8(5) . . ?
N8 Pt4 N7 178.2(4) . . ?
C68 Pt4 O7 178.9(4) . . ?
N8 Pt4 O7 97.8(3) . . ?
N7 Pt4 O7 80.7(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 O2 152.8(10) . . . . ?
C3 C1 C2 O2 -87.7(13) . . . . ?
N1 C1 C2 O1 -26.7(13) . . . . ?
C3 C1 C2 O1 92.8(12) . . . . ?
N1 C1 C3 C4 171.5(11) . . . . ?
C2 C1 C3 C4 53.4(15) . . . . ?
C1 C3 C4 C6 61.7(16) . . . . ?
C1 C3 C4 C5 -177.2(13) . . . . ?
N2 C7 C8 C9 2(2) . . . . ?
C7 C8 C9 C10 -1(2) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C9 C10 C11 N2 0.1(18) . . . . ?
C9 C10 C11 C12 -178.8(13) . . . . ?
N2 C11 C12 C13 -176.5(11) . . . . ?
C10 C11 C12 C13 2(2) . . . . ?
N2 C11 C12 C17 2.8(14) . . . . ?
C10 C11 C12 C17 -178.3(11) . . . . ?
C17 C12 C13 C14 -0.9(19) . . . . ?
C11 C12 C13 C14 178.3(12) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
C13 C14 C15 C16 3(2) . . . . ?
C14 C15 C16 C17 -1.7(19) . . . . ?
C15 C16 C17 C12 -0.4(16) . . . . ?
C15 C16 C17 Pt1 -175.5(9) . . . . ?
C13 C12 C17 C16 1.7(16) . . . . ?
C11 C12 C17 C16 -177.5(10) . . . . ?
C13 C12 C17 Pt1 177.7(10) . . . . ?
C11 C12 C17 Pt1 -1.6(12) . . . . ?
N3 C18 C19 O4 154.9(11) . . . . ?
C20 C18 C19 O4 -85.0(14) . . . . ?
N3 C18 C19 O3 -24.9(13) . . . . ?
C20 C18 C19 O3 95.2(13) . . . . ?
N3 C18 C20 C21 176.7(12) . . . . ?
C19 C18 C20 C21 57.0(17) . . . . ?
C18 C20 C21 C23 63(2) . . . . ?
C18 C20 C21 C22 -176.4(15) . . . . ?
N4 C24 C25 C26 0.6(19) . . . . ?
C24 C25 C26 C27 0(2) . . . . ?
C25 C26 C27 C28 0(2) . . . . ?
C26 C27 C28 N4 -0.1(19) . . . . ?
C26 C27 C28 C29 177.4(13) . . . . ?
N4 C28 C29 C30 178.8(12) . . . . ?
C27 C28 C29 C30 1(2) . . . . ?
N4 C28 C29 C34 -1.5(16) . . . . ?
C27 C28 C29 C34 -179.1(12) . . . . ?
C34 C29 C30 C31 2(2) . . . . ?
C28 C29 C30 C31 -178.7(13) . . . . ?
C29 C30 C31 C32 -1(2) . . . . ?
C30 C31 C32 C33 0(2) . . . . ?
C31 C32 C33 C34 1(2) . . . . ?
C32 C33 C34 C29 -0.7(19) . . . . ?
C32 C33 C34 Pt2 175.9(10) . . . . ?
C30 C29 C34 C33 -0.7(18) . . . . ?
C28 C29 C34 C33 179.5(12) . . . . ?
C30 C29 C34 Pt2 -177.8(10) . . . . ?
C28 C29 C34 Pt2 2.5(14) . . . . ?
N5 C35 C36 O6 143.1(11) . . . . ?
C37 C35 C36 O6 -96.6(13) . . . . ?
N5 C35 C36 O5 -35.3(13) . . . . ?
C37 C35 C36 O5 84.9(12) . . . . ?
N5 C35 C37 C38 169.8(10) . . . . ?
C36 C35 C37 C38 49.9(15) . . . . ?
C35 C37 C38 C40 60.6(15) . . . . ?
C35 C37 C38 C39 -177.4(12) . . . . ?
N6 C41 C42 C43 2(3) . . . . ?
C41 C42 C43 C44 -1(3) . . . . ?
C42 C43 C44 C45 2(3) . . . . ?
C43 C44 C45 N6 -3(3) . . . . ?
C43 C44 C45 C46 -179.5(17) . . . . ?
N6 C45 C46 C47 177.4(13) . . . . ?
C44 C45 C46 C47 -6(2) . . . . ?
N6 C45 C46 C51 0.3(16) . . . . ?
C44 C45 C46 C51 176.5(14) . . . . ?
C51 C46 C47 C48 -1(2) . . . . ?
C45 C46 C47 C48 -178.1(13) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C47 C48 C49 C50 0(2) . . . . ?
C48 C49 C50 C51 0(2) . . . . ?
C49 C50 C51 C46 0.0(17) . . . . ?
C49 C50 C51 Pt3 179.3(9) . . . . ?
C47 C46 C51 C50 0.7(18) . . . . ?
C45 C46 C51 C50 177.9(11) . . . . ?
C47 C46 C51 Pt3 -178.8(10) . . . . ?
C45 C46 C51 Pt3 -1.5(14) . . . . ?
N7 C52 C53 O8 173.2(9) . . . . ?
C54 C52 C53 O8 -58.7(13) . . . . ?
N7 C52 C53 O7 -4.9(13) . . . . ?
C54 C52 C53 O7 123.2(10) . . . . ?
N7 C52 C54 C55 56.4(13) . . . . ?
C53 C52 C54 C55 -71.4(13) . . . . ?
C52 C54 C55 C56 71.2(14) . . . . ?
C52 C54 C55 C57 -162.8(11) . . . . ?
N8 C58 C59 C60 1(2) . . . . ?
C58 C59 C60 C61 0(2) . . . . ?
C59 C60 C61 C62 -2(2) . . . . ?
C60 C61 C62 N8 2.1(19) . . . . ?
C60 C61 C62 C63 179.7(13) . . . . ?
N8 C62 C63 C64 179.7(13) . . . . ?
C61 C62 C63 C64 2(2) . . . . ?
N8 C62 C63 C68 -0.7(15) . . . . ?
C61 C62 C63 C68 -178.5(12) . . . . ?
C62 C63 C64 C65 179.4(14) . . . . ?
C68 C63 C64 C65 0(2) . . . . ?
C63 C64 C65 C66 1(3) . . . . ?
C64 C65 C66 C67 -1(3) . . . . ?
C65 C66 C67 C68 -1(2) . . . . ?
C66 C67 C68 C63 2(2) . . . . ?
C66 C67 C68 Pt4 178.5(11) . . . . ?
C64 C63 C68 C67 -1.1(19) . . . . ?
C62 C63 C68 C67 179.3(11) . . . . ?
C64 C63 C68 Pt4 -178.6(11) . . . . ?
C62 C63 C68 Pt4 1.8(14) . . . . ?
C3 C1 N1 Pt1 -78.2(10) . . . . ?
C2 C1 N1 Pt1 43.0(10) . . . . ?
C8 C7 N2 C11 -2.0(18) . . . . ?
C8 C7 N2 Pt1 -178.9(10) . . . . ?
C10 C11 N2 C7 1.1(17) . . . . ?
C12 C11 N2 C7 -179.9(10) . . . . ?
C10 C11 N2 Pt1 178.2(9) . . . . ?
C12 C11 N2 Pt1 -2.8(13) . . . . ?
C20 C18 N3 Pt2 -80.1(10) . . . . ?
C19 C18 N3 Pt2 42.2(10) . . . . ?
C25 C24 N4 C28 -0.7(18) . . . . ?
C25 C24 N4 Pt2 -177.7(9) . . . . ?
C27 C28 N4 C24 0.4(18) . . . . ?
C29 C28 N4 C24 -177.4(11) . . . . ?
C27 C28 N4 Pt2 177.7(9) . . . . ?
C29 C28 N4 Pt2 -0.1(13) . . . . ?
C36 C35 N5 Pt3 40.0(10) . . . . ?
C37 C35 N5 Pt3 -81.6(10) . . . . ?
C42 C41 N6 C45 -3(2) . . . . ?
C42 C41 N6 Pt3 176.2(13) . . . . ?
C44 C45 N6 C41 4(2) . . . . ?
C46 C45 N6 C41 -179.4(12) . . . . ?
C44 C45 N6 Pt3 -175.5(11) . . . . ?
C46 C45 N6 Pt3 1.1(14) . . . . ?
C53 C52 N7 Pt4 21.3(10) . . . . ?
C54 C52 N7 Pt4 -107.8(8) . . . . ?
C59 C58 N8 C62 -0.8(17) . . . . ?
C59 C58 N8 Pt4 -178.8(9) . . . . ?
C61 C62 N8 C58 -0.9(16) . . . . ?
C63 C62 N8 C58 -178.8(10) . . . . ?
C61 C62 N8 Pt4 177.2(9) . . . . ?
C63 C62 N8 Pt4 -0.7(13) . . . . ?
O2 C2 O1 Pt1 178.7(9) . . . . ?
C1 C2 O1 Pt1 -1.8(12) . . . . ?
O4 C19 O3 Pt2 176.4(10) . . . . ?
C18 C19 O3 Pt2 -3.8(12) . . . . ?
O6 C36 O5 Pt3 -166.0(9) . . . . ?
C35 C36 O5 Pt3 12.5(12) . . . . ?
O8 C53 O7 Pt4 168.4(9) . . . . ?
C52 C53 O7 Pt4 -13.7(12) . . . . ?
C16 C17 Pt1 N2 175.2(11) . . . . ?
C12 C17 Pt1 N2 0.1(7) . . . . ?
C16 C17 Pt1 N1 -7.2(11) . . . . ?
C12 C17 Pt1 N1 177.7(7) . . . . ?
C16 C17 Pt1 O1 57(9) . . . . ?
C12 C17 Pt1 O1 -118(8) . . . . ?
C16 C17 Pt1 Pt2 -100.4(10) . . . . ?
C12 C17 Pt1 Pt2 84.4(7) . . . . ?
C7 N2 Pt1 C17 178.6(10) . . . . ?
C11 N2 Pt1 C17 1.6(8) . . . . ?
C7 N2 Pt1 N1 33(6) . . . . ?
C11 N2 Pt1 N1 -144(5) . . . . ?
C7 N2 Pt1 O1 -4.0(10) . . . . ?
C11 N2 Pt1 O1 179.0(8) . . . . ?
C7 N2 Pt1 Pt2 81.9(9) . . . . ?
C11 N2 Pt1 Pt2 -95.1(8) . . . . ?
C1 N1 Pt1 C17 142.7(7) . . . . ?
C1 N1 Pt1 N2 -72(6) . . . . ?
C1 N1 Pt1 O1 -34.7(7) . . . . ?
C1 N1 Pt1 Pt2 -120.9(7) . . . . ?
C2 O1 Pt1 C17 -44(8) . . . . ?
C2 O1 Pt1 N2 -161.2(7) . . . . ?
C2 O1 Pt1 N1 21.3(8) . . . . ?
C2 O1 Pt1 Pt2 114.1(7) . . . . ?
C33 C34 Pt2 N4 -178.5(12) . . . . ?
C29 C34 Pt2 N4 -2.0(8) . . . . ?
C33 C34 Pt2 N3 -1.3(13) . . . . ?
C29 C34 Pt2 N3 175.3(8) . . . . ?
C33 C34 Pt2 O3 77(6) . . . . ?
C29 C34 Pt2 O3 -106(6) . . . . ?
C33 C34 Pt2 Pt1 -90.3(12) . . . . ?
C29 C34 Pt2 Pt1 86.3(8) . . . . ?
C24 N4 Pt2 C34 178.3(10) . . . . ?
C28 N4 Pt2 C34 1.1(8) . . . . ?
C24 N4 Pt2 N3 43(6) . . . . ?
C28 N4 Pt2 N3 -135(5) . . . . ?
C24 N4 Pt2 O3 -5.7(10) . . . . ?
C28 N4 Pt2 O3 177.1(8) . . . . ?
C24 N4 Pt2 Pt1 77.0(9) . . . . ?
C28 N4 Pt2 Pt1 -100.1(8) . . . . ?
C18 N3 Pt2 C34 141.3(8) . . . . ?
C18 N3 Pt2 N4 -83(6) . . . . ?
C18 N3 Pt2 O3 -34.6(7) . . . . ?
C18 N3 Pt2 Pt1 -118.0(7) . . . . ?
C19 O3 Pt2 C34 -57(6) . . . . ?
C19 O3 Pt2 N4 -161.0(7) . . . . ?
C19 O3 Pt2 N3 21.9(7) . . . . ?
C19 O3 Pt2 Pt1 110.2(7) . . . . ?
C17 Pt1 Pt2 C34 -63.9(5) . . . . ?
N2 Pt1 Pt2 C34 17.6(5) . . . . ?
N1 Pt1 Pt2 C34 -165.5(5) . . . . ?
O1 Pt1 Pt2 C34 117.2(4) . . . . ?
C17 Pt1 Pt2 N4 16.6(4) . . . . ?
N2 Pt1 Pt2 N4 98.1(4) . . . . ?
N1 Pt1 Pt2 N4 -85.0(4) . . . . ?
O1 Pt1 Pt2 N4 -162.4(3) . . . . ?
C17 Pt1 Pt2 N3 -165.6(4) . . . . ?
N2 Pt1 Pt2 N3 -84.1(4) . . . . ?
N1 Pt1 Pt2 N3 92.8(4) . . . . ?
O1 Pt1 Pt2 N3 15.4(3) . . . . ?
C17 Pt1 Pt2 O3 117.0(4) . . . . ?
N2 Pt1 Pt2 O3 -161.5(3) . . . . ?
N1 Pt1 Pt2 O3 15.4(3) . . . . ?
O1 Pt1 Pt2 O3 -61.9(3) . . . . ?
C50 C51 Pt3 N6 -177.7(12) . . . . ?
C46 C51 Pt3 N6 1.6(9) . . . . ?
C50 C51 Pt3 N5 2.1(12) . . . . ?
C46 C51 Pt3 N5 -178.6(8) . . . . ?
C50 C51 Pt3 O5 120(9) . . . . ?
C46 C51 Pt3 O5 -61(10) . . . . ?
C41 N6 Pt3 C51 178.9(12) . . . . ?
C45 N6 Pt3 C51 -1.5(9) . . . . ?
C41 N6 Pt3 N5 3(8) . . . . ?
C45 N6 Pt3 N5 -178(36) . . . . ?
C41 N6 Pt3 O5 -3.5(11) . . . . ?
C45 N6 Pt3 O5 176.1(9) . . . . ?
C35 N5 Pt3 C51 150.6(7) . . . . ?
C35 N5 Pt3 N6 -33(8) . . . . ?
C35 N5 Pt3 O5 -27.0(7) . . . . ?
C36 O5 Pt3 C51 -110(9) . . . . ?
C36 O5 Pt3 N6 -172.2(8) . . . . ?
C36 O5 Pt3 N5 8.1(8) . . . . ?
C67 C68 Pt4 N8 -178.7(13) . . . . ?
C63 C68 Pt4 N8 -1.7(9) . . . . ?
C67 C68 Pt4 N7 0.3(13) . . . . ?
C63 C68 Pt4 N7 177.2(9) . . . . ?
C67 C68 Pt4 O7 -65(22) . . . . ?
C63 C68 Pt4 O7 111(22) . . . . ?
C58 N8 Pt4 C68 179.4(10) . . . . ?
C62 N8 Pt4 C68 1.4(8) . . . . ?
C58 N8 Pt4 N7 36(13) . . . . ?
C62 N8 Pt4 N7 -142(12) . . . . ?
C58 N8 Pt4 O7 0.4(9) . . . . ?
C62 N8 Pt4 O7 -177.6(8) . . . . ?
C52 N7 Pt4 C68 159.0(7) . . . . ?
C52 N7 Pt4 N8 -58(12) . . . . ?
C52 N7 Pt4 O7 -21.9(6) . . . . ?
C53 O7 Pt4 C68 86(22) . . . . ?
C53 O7 Pt4 N8 -160.6(7) . . . . ?
C53 O7 Pt4 N7 20.4(7) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N3 H3D O4 0.92 2.12 2.863(13) 137.5 3_565
N7 H7B O8 0.92 2.05 2.928(11) 160.4 3
N7 H7A O5 0.92 2.48 3.213(12) 137.2 1_545
N7 H7A O6 0.92 2.46 3.211(13) 139.3 1_545
N5 H5D O7 0.92 2.30 3.150(12) 153.6 1_565
N3 H3C O1 0.92 2.12 2.955(12) 150.0 .
N1 H1A O3 0.92 2.19 2.997(12) 146.4 .
N1 H1B O2 0.92 2.20 2.939(13) 136.6 2_654
N5 H5E O6 0.92 2.41 3.023(12) 124.1 2_664

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.11
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.728
_refine_diff_density_min         -0.694
_refine_diff_density_rms         0.153
####################################################################### 
# 
# 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_PtppyNMegly_CH2Cl2_yellow
_database_code_depnum_ccdc_archive 'CCDC 1436035'
_audit_update_record             
;
2016-01-22 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C15 H16 Cl2 N2 O2 Pt'
_chemical_formula_weight         522.29

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

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

_cell_length_a                   23.7936(19)
_cell_length_b                   13.7569(11)
_cell_length_c                   10.2752(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.9160(10)
_cell_angle_gamma                90.00
_cell_volume                     3355.5(5)
_cell_formula_units_Z            8
_cell_measurement_temperature    200
_cell_measurement_reflns_used    9732
_cell_measurement_theta_min      2.58
_cell_measurement_theta_max      28.30

_exptl_crystal_description       Needle
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.068
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1984
_exptl_absorpt_coefficient_mu    8.688
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4770
_exptl_absorpt_correction_T_max  0.7226
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            18081
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.71
_diffrn_reflns_theta_max         26.73
_reflns_number_total             3557
_reflns_number_gt                3192
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0221P)²+7.6639P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3557
_refine_ls_number_parameters     204
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0175
_refine_ls_wR_factor_ref         0.0447
_refine_ls_wR_factor_gt          0.0429
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.27771(13) 0.8146(2) 0.8068(3) 0.0318(7) Uani 1 1 d . . .
C2 C 0.29988(15) 0.7593(3) 0.7090(4) 0.0442(8) Uani 1 1 d . . .
H2A H 0.3382 0.7676 0.6912 0.053 Uiso 1 1 calc R . .
C3 C 0.26721(17) 0.6927(3) 0.6372(4) 0.0506(9) Uani 1 1 d . . .
H3 H 0.2835 0.6555 0.5716 0.061 Uiso 1 1 calc R . .
C4 C 0.21126(16) 0.6795(3) 0.6594(4) 0.0506(9) Uani 1 1 d . . .
H4 H 0.1892 0.6337 0.6093 0.061 Uiso 1 1 calc R . .
C5 C 0.18750(15) 0.7334(3) 0.7547(3) 0.0418(8) Uani 1 1 d . . .
H5 H 0.1490 0.7244 0.7708 0.050 Uiso 1 1 calc R . .
C6 C 0.22018(13) 0.8010(2) 0.8276(3) 0.0326(7) Uani 1 1 d . . .
C7 C 0.19938(13) 0.8608(2) 0.9314(3) 0.0322(7) Uani 1 1 d . . .
C8 C 0.14371(14) 0.8700(3) 0.9632(3) 0.0387(7) Uani 1 1 d . . .
H8 H 0.1147 0.8350 0.9155 0.046 Uiso 1 1 calc R . .
C9 C 0.13070(16) 0.9302(3) 1.0646(4) 0.0462(9) Uani 1 1 d . . .
H9 H 0.0928 0.9368 1.0870 0.055 Uiso 1 1 calc R . .
C10 C 0.17313(15) 0.9804(3) 1.1326(4) 0.0456(8) Uani 1 1 d . . .
H10 H 0.1650 1.0212 1.2036 0.055 Uiso 1 1 calc R . .
C11 C 0.22739(14) 0.9710(3) 1.0967(3) 0.0385(7) Uani 1 1 d . . .
H11 H 0.2566 1.0062 1.1434 0.046 Uiso 1 1 calc R . .
C12 C 0.40450(13) 1.0362(2) 1.0266(3) 0.0354(7) Uani 1 1 d . . .
C13 C 0.42107(14) 1.0036(2) 0.8926(3) 0.0367(7) Uani 1 1 d . . .
H13A H 0.4085 1.0528 0.8266 0.044 Uiso 1 1 calc R . .
H13B H 0.4626 0.9984 0.8934 0.044 Uiso 1 1 calc R . .
C14 C 0.43246(14) 0.8266(3) 0.9031(4) 0.0498(9) Uani 1 1 d . . .
H14A H 0.4683 0.8308 0.8618 0.075 Uiso 1 1 calc R . .
H14B H 0.4141 0.7646 0.8802 0.075 Uiso 1 1 calc R . .
H14C H 0.4395 0.8309 0.9980 0.075 Uiso 1 1 calc R . .
C15 C 0.4215(2) 0.6792(4) 0.5026(5) 0.0726(13) Uani 1 1 d . . .
H15A H 0.4229 0.7486 0.5282 0.087 Uiso 1 1 calc R . .
H15B H 0.3817 0.6619 0.4799 0.087 Uiso 1 1 calc R . .
Cl1 Cl 0.44685(10) 0.60958(15) 0.63226(17) 0.1226(7) Uani 1 1 d . . .
Cl2 Cl 0.45954(7) 0.66316(18) 0.36823(16) 0.1221(7) Uani 1 1 d . . .
H1 H 0.3965(16) 0.903(2) 0.777(4) 0.037(10) Uiso 1 1 d . . .
N1 N 0.24051(11) 0.91352(18) 0.9978(3) 0.0317(6) Uani 1 1 d . . .
N2 N 0.39525(12) 0.90794(19) 0.8564(3) 0.0331(6) Uani 1 1 d . . .
O1 O 0.35968(9) 0.99954(17) 1.0668(2) 0.0374(5) Uani 1 1 d . . .
O2 O 0.43405(11) 1.09681(18) 1.0885(3) 0.0477(6) Uani 1 1 d . . .
Pt1 Pt 0.317172(5) 0.906021(8) 0.929238(11) 0.02865(5) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.393(5) . ?
C1 C6 1.412(4) . ?
C1 Pt1 1.971(3) . ?
C2 C3 1.381(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.378(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.460(5) . ?
C7 N1 1.363(4) . ?
C7 C8 1.392(5) . ?
C8 C9 1.382(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(5) . ?
C10 H10 0.9500 . ?
C11 N1 1.341(4) . ?
C11 H11 0.9500 . ?
C12 O2 1.238(4) . ?
C12 O1 1.274(4) . ?
C12 C13 1.525(4) . ?
C13 N2 1.488(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 N2 1.485(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Cl1 1.716(6) . ?
C15 Cl2 1.716(5) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
N1 Pt1 2.002(3) . ?
N2 Pt1 2.050(3) . ?
N2 H1 0.82(4) . ?
O1 Pt1 2.117(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
C2 C1 C6 117.1(3) . . ?
C2 C1 Pt1 128.4(2) . . ?
C6 C1 Pt1 114.3(2) . . ?
C3 C2 C1 121.3(3) . . ?
C3 C2 H2A 119.3 . . ?
C1 C2 H2A 119.3 . . ?
C4 C3 C2 120.9(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 121.1(3) . . ?
C5 C6 C7 124.3(3) . . ?
C1 C6 C7 114.6(3) . . ?
N1 C7 C8 119.8(3) . . ?
N1 C7 C6 113.4(3) . . ?
C8 C7 C6 126.8(3) . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 119.3(3) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C11 C10 C9 119.1(3) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
N1 C11 C10 122.1(3) . . ?
N1 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
O2 C12 O1 124.0(3) . . ?
O2 C12 C13 119.3(3) . . ?
O1 C12 C13 116.7(3) . . ?
N2 C13 C12 111.0(3) . . ?
N2 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
N2 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Cl1 C15 Cl2 112.2(3) . . ?
Cl1 C15 H15A 109.2 . . ?
Cl2 C15 H15A 109.2 . . ?
Cl1 C15 H15B 109.2 . . ?
Cl2 C15 H15B 109.2 . . ?
H15A C15 H15B 107.9 . . ?
C11 N1 C7 119.8(3) . . ?
C11 N1 Pt1 124.2(2) . . ?
C7 N1 Pt1 115.9(2) . . ?
C14 N2 C13 111.0(3) . . ?
C14 N2 Pt1 114.1(2) . . ?
C13 N2 Pt1 106.8(2) . . ?
C14 N2 H1 101(3) . . ?
C13 N2 H1 106(2) . . ?
Pt1 N2 H1 117(3) . . ?
C12 O1 Pt1 113.4(2) . . ?
C1 Pt1 N1 81.46(12) . . ?
C1 Pt1 N2 100.34(12) . . ?
N1 Pt1 N2 176.23(10) . . ?
C1 Pt1 O1 177.56(11) . . ?
N1 Pt1 O1 98.00(10) . . ?
N2 Pt1 O1 80.34(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
C6 C1 C2 C3 -1.3(5) . . . . ?
Pt1 C1 C2 C3 175.1(3) . . . . ?
C1 C2 C3 C4 0.7(6) . . . . ?
C2 C3 C4 C5 -0.1(6) . . . . ?
C3 C4 C5 C6 0.3(6) . . . . ?
C4 C5 C6 C1 -0.9(5) . . . . ?
C4 C5 C6 C7 -179.4(3) . . . . ?
C2 C1 C6 C5 1.4(5) . . . . ?
Pt1 C1 C6 C5 -175.5(2) . . . . ?
C2 C1 C6 C7 180.0(3) . . . . ?
Pt1 C1 C6 C7 3.1(3) . . . . ?
C5 C6 C7 N1 173.2(3) . . . . ?
C1 C6 C7 N1 -5.3(4) . . . . ?
C5 C6 C7 C8 -8.8(5) . . . . ?
C1 C6 C7 C8 172.7(3) . . . . ?
N1 C7 C8 C9 -2.0(5) . . . . ?
C6 C7 C8 C9 -179.8(3) . . . . ?
C7 C8 C9 C10 0.1(5) . . . . ?
C8 C9 C10 C11 1.2(6) . . . . ?
C9 C10 C11 N1 -0.6(5) . . . . ?
O2 C12 C13 N2 158.7(3) . . . . ?
O1 C12 C13 N2 -22.5(4) . . . . ?
C10 C11 N1 C7 -1.3(5) . . . . ?
C10 C11 N1 Pt1 173.9(3) . . . . ?
C8 C7 N1 C11 2.6(4) . . . . ?
C6 C7 N1 C11 -179.3(3) . . . . ?
C8 C7 N1 Pt1 -173.0(2) . . . . ?
C6 C7 N1 Pt1 5.1(3) . . . . ?
C12 C13 N2 C14 -89.2(3) . . . . ?
C12 C13 N2 Pt1 35.7(3) . . . . ?
O2 C12 O1 Pt1 175.9(3) . . . . ?
C13 C12 O1 Pt1 -2.8(4) . . . . ?
C2 C1 Pt1 N1 -176.8(3) . . . . ?
C6 C1 Pt1 N1 -0.3(2) . . . . ?
C2 C1 Pt1 N2 6.6(3) . . . . ?
C6 C1 Pt1 N2 -176.9(2) . . . . ?
C2 C1 Pt1 O1 -99(2) . . . . ?
C6 C1 Pt1 O1 77(3) . . . . ?
C11 N1 Pt1 C1 -178.1(3) . . . . ?
C7 N1 Pt1 C1 -2.8(2) . . . . ?
C11 N1 Pt1 N2 -59.3(17) . . . . ?
C7 N1 Pt1 N2 116.1(16) . . . . ?
C11 N1 Pt1 O1 4.3(3) . . . . ?
C7 N1 Pt1 O1 179.7(2) . . . . ?
C14 N2 Pt1 C1 -83.6(3) . . . . ?
C13 N2 Pt1 C1 153.4(2) . . . . ?
C14 N2 Pt1 N1 158.2(16) . . . . ?
C13 N2 Pt1 N1 35.2(17) . . . . ?
C14 N2 Pt1 O1 94.0(3) . . . . ?
C13 N2 Pt1 O1 -29.0(2) . . . . ?
C12 O1 Pt1 C1 125(2) . . . . ?
C12 O1 Pt1 N1 -157.8(2) . . . . ?
C12 O1 Pt1 N2 18.8(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H1 O1 0.82(4) 2.64(4) 3.294(4) 138(3) 6_575
N2 H1 O2 0.82(4) 2.19(4) 2.963(4) 158(4) 6_575

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.73
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.929
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.082
####################################################################### 
# 
# 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_PtppyNMegly_CH2Cl2_green
_database_code_depnum_ccdc_archive 'CCDC 1436036'
_audit_update_record             
;
2016-01-22 deposited with the CCDC.
2016-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C29 H30 Cl2 N4 O4 Pt2'
_chemical_formula_weight         959.65

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P2(1)/c  '
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   9.8806(7)
_cell_length_b                   14.9744(11)
_cell_length_c                   21.8714(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.4630(10)
_cell_angle_gamma                90.00
_cell_volume                     3159.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    200
_cell_measurement_reflns_used    9876
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      28.29
_exptl_crystal_description       Needle
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.017
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1816
_exptl_absorpt_coefficient_mu    9.053
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.3437
_exptl_absorpt_correction_T_max  0.7729
_exptl_absorpt_process_details   
;
SADABS Sheldrick 1996
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_monochromator  'Bruker Helios multilayer confocal mirror'
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 8.333
_diffrn_reflns_number            35019
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.66
_diffrn_reflns_theta_max         27.10
_reflns_number_total             6970
_reflns_number_gt                5822
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX2 (Bruker AXS, 2006)'
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XSHEL (Bruker AXS,2002)'
_computing_publication_material  'XCIF (Bruker AXS, 2001)'
_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0210P)²+4.5227P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6970
_refine_ls_number_parameters     380
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0198
_refine_ls_wR_factor_ref         0.0486
_refine_ls_wR_factor_gt          0.0457
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.004
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0058(3) 0.6970(2) 0.76193(15) 0.0279(7) Uani 1 1 d . . .
C2 C 1.0963(4) 0.6364(2) 0.74379(16) 0.0342(8) Uani 1 1 d . . .
H2 H 1.1440 0.5945 0.7733 0.041 Uiso 1 1 calc R . .
C3 C 1.1179(4) 0.6365(3) 0.68271(17) 0.0406(9) Uani 1 1 d . . .
H3 H 1.1799 0.5944 0.6712 0.049 Uiso 1 1 calc R . .
C4 C 1.0500(4) 0.6971(3) 0.63876(18) 0.0406(9) Uani 1 1 d . . .
H4 H 1.0642 0.6959 0.5972 0.049 Uiso 1 1 calc R . .
C5 C 0.9618(4) 0.7593(2) 0.65563(16) 0.0339(8) Uani 1 1 d . . .
H5 H 0.9162 0.8018 0.6260 0.041 Uiso 1 1 calc R . .
C6 C 0.9401(3) 0.7593(2) 0.71675(14) 0.0263(7) Uani 1 1 d . . .
C7 C 0.8455(3) 0.8214(2) 0.73866(15) 0.0267(7) Uani 1 1 d . . .
C8 C 0.7698(3) 0.8907(2) 0.70515(15) 0.0321(7) Uani 1 1 d . . .
H8 H 0.7763 0.9018 0.6631 0.039 Uiso 1 1 calc R . .
C9 C 0.6855(4) 0.9430(2) 0.73277(17) 0.0373(8) Uani 1 1 d . . .
H9 H 0.6327 0.9898 0.7098 0.045 Uiso 1 1 calc R . .
C10 C 0.6785(4) 0.9269(3) 0.79402(18) 0.0402(9) Uani 1 1 d . . .
H10 H 0.6215 0.9628 0.8140 0.048 Uiso 1 1 calc R . .
C11 C 0.7549(4) 0.8581(2) 0.82588(17) 0.0352(8) Uani 1 1 d . . .
H11 H 0.7503 0.8472 0.8682 0.042 Uiso 1 1 calc R . .
C12 C 0.9339(4) 0.6558(2) 0.96864(16) 0.0346(8) Uani 1 1 d . . .
C13 C 1.0634(4) 0.6116(3) 0.95543(15) 0.0385(8) Uani 1 1 d . . .
H13A H 1.1445 0.6508 0.9702 0.046 Uiso 1 1 calc R . .
H13B H 1.0802 0.5544 0.9786 0.046 Uiso 1 1 calc R . .
C14 C 0.9706(5) 0.5104(3) 0.86917(19) 0.0480(10) Uani 1 1 d . . .
H14A H 1.0170 0.4614 0.8953 0.072 Uiso 1 1 calc R . .
H14B H 0.9687 0.4975 0.8251 0.072 Uiso 1 1 calc R . .
H14C H 0.8755 0.5164 0.8751 0.072 Uiso 1 1 calc R . .
C15 C 0.6186(3) 0.8950(2) 0.96125(15) 0.0301(7) Uani 1 1 d . . .
C16 C 0.7516(3) 0.8921(3) 1.00001(17) 0.0369(8) Uani 1 1 d . . .
H16 H 0.7876 0.8368 1.0177 0.044 Uiso 1 1 calc R . .
C17 C 0.8314(4) 0.9690(3) 1.01298(18) 0.0435(9) Uani 1 1 d . . .
H17 H 0.9209 0.9657 1.0397 0.052 Uiso 1 1 calc R . .
C18 C 0.7820(4) 1.0502(3) 0.98741(18) 0.0443(9) Uani 1 1 d . . .
H18 H 0.8375 1.1024 0.9962 0.053 Uiso 1 1 calc R . .
C19 C 0.6516(4) 1.0551(2) 0.94902(17) 0.0375(8) Uani 1 1 d . . .
H19 H 0.6172 1.1108 0.9314 0.045 Uiso 1 1 calc R . .
C20 C 0.5704(3) 0.9785(2) 0.93613(15) 0.0310(7) Uani 1 1 d . . .
C21 C 0.4315(4) 0.9772(2) 0.89638(15) 0.0312(7) Uani 1 1 d . . .
C22 C 0.3589(4) 1.0488(2) 0.86475(18) 0.0409(9) Uani 1 1 d . . .
H22 H 0.4004 1.1063 0.8677 0.049 Uiso 1 1 calc R . .
C23 C 0.2276(4) 1.0371(3) 0.8293(2) 0.0493(10) Uani 1 1 d . . .
H23 H 0.1785 1.0862 0.8075 0.059 Uiso 1 1 calc R . .
C24 C 0.1673(4) 0.9534(3) 0.82547(19) 0.0464(10) Uani 1 1 d . . .
H24 H 0.0761 0.9441 0.8016 0.056 Uiso 1 1 calc R . .
C25 C 0.2425(4) 0.8837(3) 0.85715(17) 0.0384(8) Uani 1 1 d . . .
H25 H 0.2018 0.8260 0.8548 0.046 Uiso 1 1 calc R . .
C26 C 0.4009(4) 0.6126(2) 0.91491(16) 0.0344(8) Uani 1 1 d . . .
C27 C 0.5565(4) 0.6106(2) 0.9429(2) 0.0438(9) Uani 1 1 d . . .
H27A H 0.5795 0.5566 0.9692 0.053 Uiso 1 1 calc R . .
H27B H 0.6077 0.6075 0.9087 0.053 Uiso 1 1 calc R . .
C28 C 0.5792(5) 0.6795(3) 1.0457(2) 0.0578(12) Uani 1 1 d . . .
H28A H 0.4797 0.6790 1.0450 0.087 Uiso 1 1 calc R . .
H28B H 0.6234 0.7290 1.0719 0.087 Uiso 1 1 calc R . .
H28C H 0.6207 0.6229 1.0628 0.087 Uiso 1 1 calc R . .
C29 C 0.5952(11) 0.2647(9) 0.7466(5) 0.225(8) Uani 1 1 d . . .
H29A H 0.5536 0.3057 0.7121 0.271 Uiso 1 1 calc R . .
H29B H 0.6851 0.2436 0.7390 0.271 Uiso 1 1 calc R . .
Cl1 Cl 0.6228(4) 0.3224(4) 0.81827(19) 0.298(3) Uani 1 1 d . . .
Cl2 Cl 0.4865(3) 0.1746(3) 0.74728(19) 0.242(2) Uani 1 1 d . . .
N1 N 0.8361(3) 0.80596(17) 0.79895(12) 0.0275(6) Uani 1 1 d . . .
N2 N 1.0471(3) 0.5946(2) 0.88741(13) 0.0340(7) Uani 1 1 d . . .
N3 N 0.3718(3) 0.89503(19) 0.89116(13) 0.0306(6) Uani 1 1 d . . .
N4 N 0.6002(3) 0.6911(2) 0.98129(16) 0.0390(8) Uani 1 1 d . . .
O1 O 0.8646(3) 0.70458(16) 0.92404(11) 0.0359(6) Uani 1 1 d . . .
O2 O 0.8998(3) 0.64463(19) 1.01894(11) 0.0440(7) Uani 1 1 d . . .
O3 O 0.3452(2) 0.68993(15) 0.90826(12) 0.0372(6) Uani 1 1 d . . .
O4 O 0.3382(3) 0.54241(17) 0.90000(13) 0.0432(6) Uani 1 1 d . . .
Pt1 Pt 0.944053(12) 0.702559(9) 0.841953(5) 0.02633(4) Uani 1 1 d . . .
Pt2 Pt 0.487396(12) 0.795560(9) 0.936109(6) 0.02815(4) Uani 1 1 d . . .
H1 H 1.127(4) 0.590(3) 0.8811(19) 0.051(13) Uiso 1 1 d . . .
H15 H 0.681(4) 0.696(3) 0.9837(19) 0.039(12) Uiso 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 1.390(5) . ?
C1 C6 1.410(4) . ?
C1 Pt1 1.976(3) . ?
C2 C3 1.398(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.386(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.379(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.399(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.470(5) . ?
C7 N1 1.362(4) . ?
C7 C8 1.391(4) . ?
C8 C9 1.374(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.378(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.374(5) . ?
C10 H10 0.9500 . ?
C11 N1 1.343(4) . ?
C11 H11 0.9500 . ?
C12 O2 1.230(4) . ?
C12 O1 1.291(4) . ?
C12 C13 1.522(5) . ?
C13 N2 1.484(4) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 N2 1.480(5) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.406(5) . ?
C15 C16 1.402(5) . ?
C15 Pt2 1.973(3) . ?
C16 C17 1.390(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.394(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.458(5) . ?
C21 N3 1.359(4) . ?
C21 C22 1.389(5) . ?
C22 C23 1.371(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.383(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.378(5) . ?
C24 H24 0.9500 . ?
C25 N3 1.343(4) . ?
C25 H25 0.9500 . ?
C26 O4 1.228(4) . ?
C26 O3 1.277(4) . ?
C26 C27 1.527(5) . ?
C27 N4 1.479(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 N4 1.477(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 Cl2 1.727(15) . ?
C29 Cl1 1.758(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
N1 Pt1 1.997(3) . ?
N2 Pt1 2.050(3) . ?
N2 H1 0.83(4) . ?
N3 Pt2 2.001(3) . ?
N4 Pt2 2.047(3) . ?
N4 H15 0.79(4) . ?
O1 Pt1 2.109(2) . ?
O3 Pt2 2.116(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
C2 C1 C6 117.3(3) . . ?
C2 C1 Pt1 128.4(3) . . ?
C6 C1 Pt1 114.2(2) . . ?
C1 C2 C3 120.8(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C4 C3 C2 120.8(4) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.4(3) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C1 121.8(3) . . ?
C5 C6 C7 123.4(3) . . ?
C1 C6 C7 114.8(3) . . ?
N1 C7 C8 119.7(3) . . ?
N1 C7 C6 112.9(3) . . ?
C8 C7 C6 127.4(3) . . ?
C9 C8 C7 120.1(3) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C11 C10 C9 119.1(4) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
N1 C11 C10 121.9(3) . . ?
N1 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
O2 C12 O1 123.4(3) . . ?
O2 C12 C13 120.9(3) . . ?
O1 C12 C13 115.7(3) . . ?
N2 C13 C12 110.6(3) . . ?
N2 C13 H13A 109.5 . . ?
C12 C13 H13A 109.5 . . ?
N2 C13 H13B 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 108.1 . . ?
N2 C14 H14A 109.5 . . ?
N2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
N2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 117.2(3) . . ?
C20 C15 Pt2 114.5(2) . . ?
C16 C15 Pt2 128.3(3) . . ?
C17 C16 C15 121.0(4) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C16 120.7(4) . . ?
C18 C17 H17 119.7 . . ?
C16 C17 H17 119.7 . . ?
C19 C18 C17 119.7(4) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 120.0(4) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 C15 121.4(3) . . ?
C19 C20 C21 123.9(3) . . ?
C15 C20 C21 114.7(3) . . ?
N3 C21 C22 119.2(3) . . ?
N3 C21 C20 113.4(3) . . ?
C22 C21 C20 127.3(3) . . ?
C23 C22 C21 120.5(4) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 119.5(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C25 C24 C23 118.5(4) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
N3 C25 C24 121.9(4) . . ?
N3 C25 H25 119.1 . . ?
C24 C25 H25 119.1 . . ?
O4 C26 O3 124.4(3) . . ?
O4 C26 C27 119.8(3) . . ?
O3 C26 C27 115.8(3) . . ?
N4 C27 C26 110.9(3) . . ?
N4 C27 H27A 109.5 . . ?
C26 C27 H27A 109.5 . . ?
N4 C27 H27B 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 108.0 . . ?
N4 C28 H28A 109.5 . . ?
N4 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N4 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Cl2 C29 Cl1 110.7(5) . . ?
Cl2 C29 H29A 109.5 . . ?
Cl1 C29 H29A 109.5 . . ?
Cl2 C29 H29B 109.5 . . ?
Cl1 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C11 N1 C7 119.9(3) . . ?
C11 N1 Pt1 123.6(2) . . ?
C7 N1 Pt1 116.6(2) . . ?
C14 N2 C13 110.8(3) . . ?
C14 N2 Pt1 111.7(2) . . ?
C13 N2 Pt1 106.6(2) . . ?
C14 N2 H1 110(3) . . ?
C13 N2 H1 106(3) . . ?
Pt1 N2 H1 112(3) . . ?
C25 N3 C21 120.3(3) . . ?
C25 N3 Pt2 123.5(2) . . ?
C21 N3 Pt2 116.2(2) . . ?
C28 N4 C27 111.2(3) . . ?
C28 N4 Pt2 112.1(3) . . ?
C27 N4 Pt2 106.6(2) . . ?
C28 N4 H15 107(3) . . ?
C27 N4 H15 106(3) . . ?
Pt2 N4 H15 113(3) . . ?
C12 O1 Pt1 113.6(2) . . ?
C26 O3 Pt2 113.7(2) . . ?
C1 Pt1 N1 81.42(12) . . ?
C1 Pt1 N2 100.40(13) . . ?
N1 Pt1 N2 177.43(12) . . ?
C1 Pt1 O1 175.93(11) . . ?
N1 Pt1 O1 97.51(10) . . ?
N2 Pt1 O1 80.54(10) . . ?
C15 Pt2 N3 81.16(13) . . ?
C15 Pt2 N4 100.69(14) . . ?
N3 Pt2 N4 178.13(12) . . ?
C15 Pt2 O3 179.28(12) . . ?
N3 Pt2 O3 98.14(11) . . ?
N4 Pt2 O3 80.01(11) . . ?

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
C6 C1 C2 C3 -1.4(5) . . . . ?
Pt1 C1 C2 C3 173.3(3) . . . . ?
C1 C2 C3 C4 0.2(6) . . . . ?
C2 C3 C4 C5 1.1(6) . . . . ?
C3 C4 C5 C6 -1.2(5) . . . . ?
C4 C5 C6 C1 -0.1(5) . . . . ?
C4 C5 C6 C7 -178.5(3) . . . . ?
C2 C1 C6 C5 1.4(5) . . . . ?
Pt1 C1 C6 C5 -174.1(3) . . . . ?
C2 C1 C6 C7 179.9(3) . . . . ?
Pt1 C1 C6 C7 4.4(4) . . . . ?
C5 C6 C7 N1 177.0(3) . . . . ?
C1 C6 C7 N1 -1.5(4) . . . . ?
C5 C6 C7 C8 -3.2(5) . . . . ?
C1 C6 C7 C8 178.3(3) . . . . ?
N1 C7 C8 C9 -0.2(5) . . . . ?
C6 C7 C8 C9 180.0(3) . . . . ?
C7 C8 C9 C10 0.9(5) . . . . ?
C8 C9 C10 C11 -0.7(6) . . . . ?
C9 C10 C11 N1 -0.2(6) . . . . ?
O2 C12 C13 N2 150.9(3) . . . . ?
O1 C12 C13 N2 -29.0(5) . . . . ?
C20 C15 C16 C17 0.2(5) . . . . ?
Pt2 C15 C16 C17 179.8(3) . . . . ?
C15 C16 C17 C18 -0.6(6) . . . . ?
C16 C17 C18 C19 0.5(6) . . . . ?
C17 C18 C19 C20 0.0(5) . . . . ?
C18 C19 C20 C15 -0.3(5) . . . . ?
C18 C19 C20 C21 179.7(3) . . . . ?
C16 C15 C20 C19 0.2(5) . . . . ?
Pt2 C15 C20 C19 -179.4(3) . . . . ?
C16 C15 C20 C21 -179.9(3) . . . . ?
Pt2 C15 C20 C21 0.6(4) . . . . ?
C19 C20 C21 N3 -179.3(3) . . . . ?
C15 C20 C21 N3 0.8(4) . . . . ?
C19 C20 C21 C22 1.0(6) . . . . ?
C15 C20 C21 C22 -178.9(3) . . . . ?
N3 C21 C22 C23 0.8(6) . . . . ?
C20 C21 C22 C23 -179.5(4) . . . . ?
C21 C22 C23 C24 0.4(6) . . . . ?
C22 C23 C24 C25 -0.8(6) . . . . ?
C23 C24 C25 N3 -0.1(6) . . . . ?
O4 C26 C27 N4 -155.8(3) . . . . ?
O3 C26 C27 N4 24.8(5) . . . . ?
C10 C11 N1 C7 0.9(5) . . . . ?
C10 C11 N1 Pt1 -177.7(3) . . . . ?
C8 C7 N1 C11 -0.7(5) . . . . ?
C6 C7 N1 C11 179.2(3) . . . . ?
C8 C7 N1 Pt1 178.1(2) . . . . ?
C6 C7 N1 Pt1 -2.1(3) . . . . ?
C12 C13 N2 C14 -83.2(4) . . . . ?
C12 C13 N2 Pt1 38.6(4) . . . . ?
C24 C25 N3 C21 1.4(5) . . . . ?
C24 C25 N3 Pt2 -178.3(3) . . . . ?
C22 C21 N3 C25 -1.7(5) . . . . ?
C20 C21 N3 C25 178.6(3) . . . . ?
C22 C21 N3 Pt2 178.0(3) . . . . ?
C20 C21 N3 Pt2 -1.7(4) . . . . ?
C26 C27 N4 C28 84.6(4) . . . . ?
C26 C27 N4 Pt2 -37.9(4) . . . . ?
O2 C12 O1 Pt1 -176.1(3) . . . . ?
C13 C12 O1 Pt1 3.8(4) . . . . ?
O4 C26 O3 Pt2 -177.8(3) . . . . ?
C27 C26 O3 Pt2 1.5(4) . . . . ?
C2 C1 Pt1 N1 -179.2(3) . . . . ?
C6 C1 Pt1 N1 -4.3(2) . . . . ?
C2 C1 Pt1 N2 -1.0(3) . . . . ?
C6 C1 Pt1 N2 173.9(2) . . . . ?
C2 C1 Pt1 O1 -104.1(16) . . . . ?
C6 C1 Pt1 O1 70.8(17) . . . . ?
C11 N1 Pt1 C1 -177.8(3) . . . . ?
C7 N1 Pt1 C1 3.6(2) . . . . ?
C11 N1 Pt1 N2 47(3) . . . . ?
C7 N1 Pt1 N2 -132(3) . . . . ?
C11 N1 Pt1 O1 6.2(3) . . . . ?
C7 N1 Pt1 O1 -172.4(2) . . . . ?
C14 N2 Pt1 C1 -83.5(3) . . . . ?
C13 N2 Pt1 C1 155.3(2) . . . . ?
C14 N2 Pt1 N1 52(3) . . . . ?
C13 N2 Pt1 N1 -70(3) . . . . ?
C14 N2 Pt1 O1 92.5(2) . . . . ?
C13 N2 Pt1 O1 -28.7(2) . . . . ?
C12 O1 Pt1 C1 118.6(16) . . . . ?
C12 O1 Pt1 N1 -166.9(2) . . . . ?
C12 O1 Pt1 N2 14.8(2) . . . . ?
C20 C15 Pt2 N3 -1.1(2) . . . . ?
C16 C15 Pt2 N3 179.3(3) . . . . ?
C20 C15 Pt2 N4 179.1(2) . . . . ?
C16 C15 Pt2 N4 -0.4(3) . . . . ?
C20 C15 Pt2 O3 13(10) . . . . ?
C16 C15 Pt2 O3 -166(13) . . . . ?
C25 N3 Pt2 C15 -178.7(3) . . . . ?
C21 N3 Pt2 C15 1.6(2) . . . . ?
C25 N3 Pt2 N4 -6(4) . . . . ?
C21 N3 Pt2 N4 174(9) . . . . ?
C25 N3 Pt2 O3 1.5(3) . . . . ?
C21 N3 Pt2 O3 -178.2(2) . . . . ?
C28 N4 Pt2 C15 88.2(3) . . . . ?
C27 N4 Pt2 C15 -149.8(3) . . . . ?
C28 N4 Pt2 N3 -84(4) . . . . ?
C27 N4 Pt2 N3 37(4) . . . . ?
C28 N4 Pt2 O3 -91.9(3) . . . . ?
C27 N4 Pt2 O3 30.0(3) . . . . ?
C26 O3 Pt2 C15 147(10) . . . . ?
C26 O3 Pt2 N3 161.6(2) . . . . ?
C26 O3 Pt2 N4 -18.6(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H1 O4 0.83(4) 2.16(4) 2.936(4) 155(4) 1_655
N2 H1 O3 0.83(4) 2.58(4) 3.216(4) 134(4) 1_655
N4 H15 O2 0.79(4) 2.27(4) 2.979(4) 150(4) .
N4 H15 O1 0.79(4) 2.45(4) 3.137(4) 145(4) .

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.10
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.092
