# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_u165
_database_code_depnum_ccdc_archive 'CCDC 1032774'
_audit_update_record             
;
2014-11-05 deposited with the CCDC.
2015-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C26 H21 N O2 Pt'
_chemical_formula_weight         574.53

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   P2(1)/n

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

_cell_length_a                   14.3538(10)
_cell_length_b                   7.6478(5)
_cell_length_c                   18.9808(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6610(10)
_cell_angle_gamma                90.00
_cell_volume                     2040.6(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    3619
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      25.95

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.870
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1112
_exptl_absorpt_coefficient_mu    6.899
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1902
_exptl_absorpt_correction_T_max  0.5756
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11714
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.63
_diffrn_reflns_theta_max         26.04
_reflns_number_total             4029
_reflns_number_gt                3229
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0274P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4029
_refine_ls_number_parameters     335
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0280
_refine_ls_wR_factor_ref         0.0591
_refine_ls_wR_factor_gt          0.0547
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_restrained_S_all      1.013
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.718707(13) 0.81927(2) -0.006235(9) 0.02555(7) Uani 1 1 d . . .
N N 0.6494(3) 0.8919(5) 0.07382(19) 0.0236(8) Uani 1 1 d . . .
O1 O 0.7801(2) 0.5786(4) 0.03374(16) 0.0301(8) Uani 1 1 d . . .
O2 O 0.7808(2) 0.7916(4) -0.09116(17) 0.0353(9) Uani 1 1 d . . .
C1 C 0.6674(3) 1.0444(6) -0.0457(2) 0.0271(11) Uani 1 1 d . . .
C2 C 0.6795(4) 1.1234(7) -0.1099(3) 0.0323(12) Uani 1 1 d . . .
C3 C 0.6418(4) 1.2860(7) -0.1298(3) 0.0358(13) Uani 1 1 d . . .
C4 C 0.5927(4) 1.3772(7) -0.0864(3) 0.0354(13) Uani 1 1 d . . .
C5 C 0.5800(4) 1.3053(7) -0.0222(3) 0.0325(12) Uani 1 1 d . . .
C6 C 0.6188(3) 1.1402(6) -0.0018(2) 0.0241(11) Uani 1 1 d . . .
C7 C 0.6112(3) 1.0538(6) 0.0649(2) 0.0252(10) Uani 1 1 d . . .
C8 C 0.5686(3) 1.1326(6) 0.1180(2) 0.0252(11) Uani 1 1 d . . .
C9 C 0.5663(3) 1.0530(6) 0.1815(2) 0.0238(10) Uani 1 1 d . . .
C10 C 0.6026(3) 0.8802(6) 0.1918(2) 0.0257(11) Uani 1 1 d . . .
C11 C 0.5971(4) 0.7790(7) 0.2532(3) 0.0328(13) Uani 1 1 d . . .
C12 C 0.6292(4) 0.6109(7) 0.2608(3) 0.0344(13) Uani 1 1 d . . .
C13 C 0.6652(4) 0.5344(7) 0.2050(3) 0.0334(12) Uani 1 1 d . . .
C14 C 0.6698(3) 0.6237(6) 0.1441(3) 0.0279(11) Uani 1 1 d . . .
H14A H 0.6926 0.5666 0.1064 0.034 Uiso 1 1 calc R . .
C15 C 0.6413(3) 0.8001(6) 0.1360(2) 0.0241(10) Uani 1 1 d . . .
C16 C 0.5251(3) 1.1501(5) 0.2367(2) 0.0234(10) Uani 1 1 d . . .
C17 C 0.4364(4) 1.2306(7) 0.2164(3) 0.0299(12) Uani 1 1 d . . .
C18 C 0.3972(4) 1.3251(7) 0.2663(3) 0.0330(12) Uani 1 1 d . . .
C19 C 0.4466(4) 1.3393(7) 0.3365(3) 0.0349(13) Uani 1 1 d . . .
C20 C 0.5341(4) 1.2621(7) 0.3566(3) 0.0329(12) Uani 1 1 d . . .
H20A H 0.5684 1.2745 0.4047 0.039 Uiso 1 1 calc R . .
C21 C 0.5731(4) 1.1665(6) 0.3079(2) 0.0271(11) Uani 1 1 d . . .
C22 C 0.8666(4) 0.3132(7) 0.0417(3) 0.0366(12) Uani 1 1 d . . .
H22A H 0.8412 0.3033 0.0858 0.055 Uiso 1 1 calc R . .
H22B H 0.9363 0.3121 0.0541 0.055 Uiso 1 1 calc R . .
H22C H 0.8441 0.2145 0.0099 0.055 Uiso 1 1 calc R . .
C23 C 0.8333(3) 0.4812(6) 0.0042(2) 0.0290(11) Uani 1 1 d . . .
C24 C 0.8611(4) 0.5205(7) -0.0604(3) 0.0356(13) Uani 1 1 d . . .
C25 C 0.8341(4) 0.6649(7) -0.1032(3) 0.0330(12) Uani 1 1 d . . .
C26 C 0.8692(5) 0.6845(10) -0.1721(3) 0.0412(14) Uani 1 1 d . . .
H2 H 0.708(3) 1.061(6) -0.137(2) 0.031(14) Uiso 1 1 d . . .
H3 H 0.651(4) 1.327(6) -0.175(3) 0.041(15) Uiso 1 1 d . . .
H4 H 0.568(3) 1.479(6) -0.096(2) 0.016(12) Uiso 1 1 d . . .
H5 H 0.545(3) 1.363(5) 0.007(2) 0.021(12) Uiso 1 1 d . . .
H8 H 0.549(3) 1.239(6) 0.107(2) 0.021(12) Uiso 1 1 d . . .
H11 H 0.575(4) 0.827(6) 0.288(3) 0.039(16) Uiso 1 1 d . . .
H12 H 0.626(3) 0.556(7) 0.299(2) 0.037(15) Uiso 1 1 d . . .
H13 H 0.687(3) 0.425(6) 0.208(2) 0.031(14) Uiso 1 1 d . . .
H17 H 0.403(4) 1.217(6) 0.172(3) 0.034(14) Uiso 1 1 d . . .
H18 H 0.337(4) 1.384(6) 0.249(2) 0.034(14) Uiso 1 1 d . . .
H19 H 0.419(3) 1.398(6) 0.366(2) 0.033(14) Uiso 1 1 d . . .
H21 H 0.628(3) 1.114(5) 0.323(2) 0.010(11) Uiso 1 1 d . . .
H24 H 0.895(3) 0.445(7) -0.079(2) 0.036(14) Uiso 1 1 d . . .
H26A H 0.888(4) 0.581(8) -0.189(3) 0.07(2) Uiso 1 1 d . . .
H26B H 0.824(4) 0.715(7) -0.207(3) 0.049(19) Uiso 1 1 d . . .
H26C H 0.913(4) 0.759(8) -0.171(3) 0.046(19) 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
Pt C1 1.961(5) . ?
Pt O2 2.005(3) . ?
Pt N 2.054(4) . ?
Pt O1 2.114(3) . ?
N C7 1.350(6) . ?
N C15 1.398(6) . ?
O1 C23 1.275(5) . ?
O2 C25 1.283(6) . ?
C1 C6 1.398(6) . ?
C1 C2 1.403(6) . ?
C2 C3 1.378(7) . ?
C3 C4 1.377(8) . ?
C4 C5 1.382(7) . ?
C5 C6 1.402(7) . ?
C6 C7 1.451(6) . ?
C7 C8 1.415(6) . ?
C8 C9 1.357(6) . ?
C9 C10 1.419(6) . ?
C9 C16 1.500(6) . ?
C10 C11 1.414(7) . ?
C10 C15 1.430(6) . ?
C11 C12 1.363(7) . ?
C12 C13 1.397(7) . ?
C13 C14 1.356(7) . ?
C14 C15 1.409(6) . ?
C16 C21 1.394(6) . ?
C16 C17 1.395(7) . ?
C17 C18 1.397(7) . ?
C18 C19 1.381(7) . ?
C19 C20 1.370(7) . ?
C20 C21 1.383(7) . ?
C22 C23 1.500(7) . ?
C23 C24 1.397(7) . ?
C24 C25 1.379(7) . ?
C25 C26 1.502(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
C1 Pt O2 88.83(16) . . ?
C1 Pt N 81.05(17) . . ?
O2 Pt N 169.77(14) . . ?
C1 Pt O1 177.03(15) . . ?
O2 Pt O1 88.60(13) . . ?
N Pt O1 101.49(13) . . ?
C7 N C15 117.7(4) . . ?
C7 N Pt 113.6(3) . . ?
C15 N Pt 128.6(3) . . ?
C23 O1 Pt 126.4(3) . . ?
C25 O2 Pt 126.9(3) . . ?
C6 C1 C2 117.2(5) . . ?
C6 C1 Pt 115.3(3) . . ?
C2 C1 Pt 127.4(4) . . ?
C3 C2 C1 121.0(5) . . ?
C4 C3 C2 121.0(5) . . ?
C3 C4 C5 120.0(5) . . ?
C4 C5 C6 119.1(5) . . ?
C1 C6 C5 121.7(4) . . ?
C1 C6 C7 114.5(4) . . ?
C5 C6 C7 123.8(4) . . ?
N C7 C8 121.6(4) . . ?
N C7 C6 115.3(4) . . ?
C8 C7 C6 123.1(4) . . ?
C9 C8 C7 122.2(4) . . ?
C8 C9 C10 117.8(4) . . ?
C8 C9 C16 118.8(4) . . ?
C10 C9 C16 123.4(4) . . ?
C11 C10 C9 122.9(4) . . ?
C11 C10 C15 118.1(4) . . ?
C9 C10 C15 118.9(4) . . ?
C12 C11 C10 122.0(5) . . ?
C11 C12 C13 119.0(5) . . ?
C14 C13 C12 121.6(5) . . ?
C13 C14 C15 120.8(5) . . ?
N C15 C14 120.1(4) . . ?
N C15 C10 121.4(4) . . ?
C14 C15 C10 118.5(4) . . ?
C21 C16 C17 118.2(4) . . ?
C21 C16 C9 122.3(4) . . ?
C17 C16 C9 119.5(4) . . ?
C16 C17 C18 120.8(5) . . ?
C19 C18 C17 119.7(5) . . ?
C20 C19 C18 119.9(5) . . ?
C19 C20 C21 120.9(5) . . ?
C20 C21 C16 120.6(5) . . ?
O1 C23 C24 124.3(5) . . ?
O1 C23 C22 116.9(4) . . ?
C24 C23 C22 118.8(4) . . ?
C25 C24 C23 126.4(5) . . ?
O2 C25 C24 127.3(5) . . ?
O2 C25 C26 113.4(5) . . ?
C24 C25 C26 119.3(5) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Pt N C7 -4.9(3) . . . . ?
O2 Pt N C7 3.3(9) . . . . ?
O1 Pt N C7 173.5(3) . . . . ?
C1 Pt N C15 178.4(4) . . . . ?
O2 Pt N C15 -173.4(7) . . . . ?
O1 Pt N C15 -3.1(4) . . . . ?
C1 Pt O1 C23 -30(3) . . . . ?
O2 Pt O1 C23 0.1(4) . . . . ?
N Pt O1 C23 -178.2(4) . . . . ?
C1 Pt O2 C25 178.2(4) . . . . ?
N Pt O2 C25 170.1(7) . . . . ?
O1 Pt O2 C25 -0.3(4) . . . . ?
O2 Pt C1 C6 -174.8(3) . . . . ?
N Pt C1 C6 3.8(3) . . . . ?
O1 Pt C1 C6 -145(3) . . . . ?
O2 Pt C1 C2 0.6(4) . . . . ?
N Pt C1 C2 179.2(5) . . . . ?
O1 Pt C1 C2 30(3) . . . . ?
C6 C1 C2 C3 -2.4(7) . . . . ?
Pt C1 C2 C3 -177.7(4) . . . . ?
C1 C2 C3 C4 1.3(8) . . . . ?
C2 C3 C4 C5 -0.5(8) . . . . ?
C3 C4 C5 C6 0.8(8) . . . . ?
C2 C1 C6 C5 2.7(7) . . . . ?
Pt C1 C6 C5 178.6(4) . . . . ?
C2 C1 C6 C7 -178.1(4) . . . . ?
Pt C1 C6 C7 -2.2(5) . . . . ?
C4 C5 C6 C1 -2.0(7) . . . . ?
C4 C5 C6 C7 178.9(5) . . . . ?
C15 N C7 C8 3.1(6) . . . . ?
Pt N C7 C8 -173.9(3) . . . . ?
C15 N C7 C6 -177.9(4) . . . . ?
Pt N C7 C6 5.0(5) . . . . ?
C1 C6 C7 N -2.0(6) . . . . ?
C5 C6 C7 N 177.1(4) . . . . ?
C1 C6 C7 C8 177.0(4) . . . . ?
C5 C6 C7 C8 -3.9(7) . . . . ?
N C7 C8 C9 2.2(7) . . . . ?
C6 C7 C8 C9 -176.8(4) . . . . ?
C7 C8 C9 C10 -4.3(7) . . . . ?
C7 C8 C9 C16 176.3(4) . . . . ?
C8 C9 C10 C11 -174.8(5) . . . . ?
C16 C9 C10 C11 4.5(7) . . . . ?
C8 C9 C10 C15 1.3(6) . . . . ?
C16 C9 C10 C15 -179.4(4) . . . . ?
C9 C10 C11 C12 177.5(5) . . . . ?
C15 C10 C11 C12 1.4(7) . . . . ?
C10 C11 C12 C13 -2.5(8) . . . . ?
C11 C12 C13 C14 0.7(8) . . . . ?
C12 C13 C14 C15 2.2(8) . . . . ?
C7 N C15 C14 172.6(4) . . . . ?
Pt N C15 C14 -10.8(6) . . . . ?
C7 N C15 C10 -6.1(6) . . . . ?
Pt N C15 C10 170.5(3) . . . . ?
C13 C14 C15 N 178.0(4) . . . . ?
C13 C14 C15 C10 -3.3(7) . . . . ?
C11 C10 C15 N -179.8(4) . . . . ?
C9 C10 C15 N 4.0(6) . . . . ?
C11 C10 C15 C14 1.5(6) . . . . ?
C9 C10 C15 C14 -174.8(4) . . . . ?
C8 C9 C16 C21 -129.2(5) . . . . ?
C10 C9 C16 C21 51.4(7) . . . . ?
C8 C9 C16 C17 49.4(6) . . . . ?
C10 C9 C16 C17 -129.9(5) . . . . ?
C21 C16 C17 C18 0.1(7) . . . . ?
C9 C16 C17 C18 -178.6(4) . . . . ?
C16 C17 C18 C19 0.1(8) . . . . ?
C17 C18 C19 C20 0.6(8) . . . . ?
C18 C19 C20 C21 -1.4(8) . . . . ?
C19 C20 C21 C16 1.6(8) . . . . ?
C17 C16 C21 C20 -0.9(7) . . . . ?
C9 C16 C21 C20 177.7(4) . . . . ?
Pt O1 C23 C24 1.0(7) . . . . ?
Pt O1 C23 C22 -178.4(3) . . . . ?
O1 C23 C24 C25 -2.2(8) . . . . ?
C22 C23 C24 C25 177.2(5) . . . . ?
Pt O2 C25 C24 -0.6(7) . . . . ?
Pt O2 C25 C26 -180.0(4) . . . . ?
C23 C24 C25 O2 2.0(9) . . . . ?
C23 C24 C25 C26 -178.6(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        26.04
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.130

####################################################################### 
# 
# 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_v076
_database_code_depnum_ccdc_archive 'CCDC 1032775'
_audit_update_record             
;
2014-11-05 deposited with the CCDC.
2015-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H66 Cl2 N2 O2 Pt'
_chemical_formula_weight         1077.11

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                   12.5676(8)
_cell_length_b                   29.5883(19)
_cell_length_c                   13.6576(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.0920(10)
_cell_angle_gamma                90.00
_cell_volume                     5014.8(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    6712
_cell_measurement_theta_min      2.16
_cell_measurement_theta_max      24.79

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2200
_exptl_absorpt_coefficient_mu    2.948
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5145
_exptl_absorpt_correction_T_max  0.7773
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            31630
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.64
_diffrn_reflns_theta_max         26.04
_reflns_number_total             9865
_reflns_number_gt                7547
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.1000P)²+25.6527P] 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_number_reflns         9865
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0565
_refine_ls_wR_factor_ref         0.1742
_refine_ls_wR_factor_gt          0.1615
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      1.000
_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
Pt Pt 0.66687(3) 0.062225(10) 0.19425(2) 0.02984(12) Uani 1 1 d . . .
O1 O 0.8228(5) 0.0904(2) 0.2260(4) 0.0394(14) Uani 1 1 d . . .
O2 O 0.6758(5) 0.0494(2) 0.3388(4) 0.0372(14) Uani 1 1 d . . .
N1 N 0.6291(5) 0.0745(2) 0.0466(4) 0.0243(13) Uani 1 1 d . . .
N2 N 0.4120(6) 0.1583(2) -0.8882(4) 0.0293(15) Uani 1 1 d . . .
C1 C 0.5180(7) 0.0379(3) 0.1706(5) 0.0293(17) Uani 1 1 d . . .
C2 C 0.4635(7) 0.0170(3) 0.2376(6) 0.036(2) Uani 1 1 d . . .
H2A H 0.4996 0.0108 0.3027 0.043 Uiso 1 1 calc R . .
C3 C 0.3578(8) 0.0052(3) 0.2113(6) 0.040(2) Uani 1 1 d . . .
H3A H 0.3231 -0.0108 0.2576 0.048 Uiso 1 1 calc R . .
C4 C 0.2990(8) 0.0157(3) 0.1184(6) 0.042(2) Uani 1 1 d . . .
H4A H 0.2248 0.0083 0.1025 0.050 Uiso 1 1 calc R . .
C5 C 0.3528(7) 0.0376(3) 0.0493(6) 0.036(2) Uani 1 1 d . . .
H5A H 0.3157 0.0450 -0.0148 0.043 Uiso 1 1 calc R . .
C6 C 0.4597(6) 0.0482(2) 0.0755(5) 0.0252(16) Uani 1 1 d . . .
C7 C 0.5246(6) 0.0706(2) 0.0090(5) 0.0236(16) Uani 1 1 d . . .
C8 C 0.4796(6) 0.0866(2) -0.0855(5) 0.0246(16) Uani 1 1 d . . .
H8A H 0.4043 0.0840 -0.1075 0.030 Uiso 1 1 calc R . .
C9 C 0.5448(6) 0.1060(3) -0.1468(5) 0.0251(16) Uani 1 1 d . . .
C10 C 0.6567(7) 0.1054(3) -0.1153(5) 0.0277(17) Uani 1 1 d . . .
C11 C 0.7333(7) 0.1169(3) -0.1770(6) 0.0350(19) Uani 1 1 d . . .
H11A H 0.7087 0.1280 -0.2419 0.042 Uiso 1 1 calc R . .
C12 C 0.8406(7) 0.1125(3) -0.1462(6) 0.044(2) Uani 1 1 d . . .
H12A H 0.8893 0.1195 -0.1906 0.052 Uiso 1 1 calc R . .
C13 C 0.8806(7) 0.0980(4) -0.0510(7) 0.047(2) Uani 1 1 d . . .
H13A H 0.9562 0.0958 -0.0298 0.056 Uiso 1 1 calc R . .
C14 C 0.8099(7) 0.0869(3) 0.0129(6) 0.039(2) Uani 1 1 d . . .
H14A H 0.8374 0.0772 0.0783 0.047 Uiso 1 1 calc R . .
C15 C 0.6992(6) 0.0896(2) -0.0167(5) 0.0260(16) Uani 1 1 d . . .
C16 C 0.9927(8) 0.1138(3) 0.3081(7) 0.046(2) Uani 1 1 d . . .
C17 C 0.8802(7) 0.0937(3) 0.3095(6) 0.0372(19) Uani 1 1 d . . .
C18 C 0.8477(8) 0.0815(3) 0.4007(6) 0.040(2) Uani 1 1 d . . .
H18A H 0.8960 0.0881 0.4597 0.048 Uiso 1 1 calc R . .
C19 C 0.7512(7) 0.0605(3) 0.4108(5) 0.0304(17) Uani 1 1 d . . .
C20 C 0.7246(8) 0.0468(3) 0.5127(6) 0.040(2) Uani 1 1 d . . .
C21 C 0.4949(6) 0.1248(3) -0.2431(5) 0.0265(16) Uani 1 1 d . . .
C22 C 0.4136(6) 0.1007(3) -0.3061(5) 0.0255(16) Uani 1 1 d . . .
H22A H 0.3898 0.0723 -0.2856 0.031 Uiso 1 1 calc R . .
C23 C 0.3694(6) 0.1181(3) -0.3962(5) 0.0283(17) Uani 1 1 d . . .
H23A H 0.3160 0.1011 -0.4373 0.034 Uiso 1 1 calc R . .
C24 C 0.3997(6) 0.1598(3) -0.4296(5) 0.0272(16) Uani 1 1 d . . .
C25 C 0.4782(6) 0.1841(3) -0.3673(5) 0.0275(16) Uani 1 1 d . . .
H25A H 0.4998 0.2129 -0.3879 0.033 Uiso 1 1 calc R . .
C26 C 0.5259(6) 0.1670(3) -0.2749(5) 0.0290(17) Uani 1 1 d . . .
H26A H 0.5794 0.1841 -0.2339 0.035 Uiso 1 1 calc R . .
C27 C 0.3551(7) 0.1770(3) -0.5323(5) 0.0319(18) Uani 1 1 d . . .
H27A H 0.3783 0.2087 -0.5386 0.038 Uiso 1 1 calc R . .
H27B H 0.2754 0.1766 -0.5411 0.038 Uiso 1 1 calc R . .
C28 C 0.3927(7) 0.1487(3) -0.6138(5) 0.0318(18) Uani 1 1 d . . .
H28A H 0.3579 0.1186 -0.6151 0.038 Uiso 1 1 calc R . .
H28B H 0.4715 0.1440 -0.5969 0.038 Uiso 1 1 calc R . .
C29 C 0.3682(7) 0.1693(3) -0.7174(5) 0.0281(17) Uani 1 1 d . . .
H29A H 0.4077 0.1982 -0.7189 0.034 Uiso 1 1 calc R . .
H29B H 0.2901 0.1757 -0.7339 0.034 Uiso 1 1 calc R . .
C30 C 0.4020(7) 0.1366(3) -0.7943(5) 0.0332(19) Uani 1 1 d . . .
H30A H 0.4720 0.1228 -0.7666 0.040 Uiso 1 1 calc R . .
H30B H 0.3481 0.1120 -0.8068 0.040 Uiso 1 1 calc R . .
C31 C 0.3308(7) 0.1641(3) -0.9698(5) 0.0291(17) Uani 1 1 d . . .
C32 C 0.2245(7) 0.1495(3) -0.9875(6) 0.0356(19) Uani 1 1 d . . .
H32A H 0.1947 0.1330 -0.9386 0.043 Uiso 1 1 calc R . .
C33 C 0.1638(7) 0.1594(3) -1.0771(6) 0.038(2) Uani 1 1 d . . .
H33A H 0.0923 0.1480 -1.0905 0.045 Uiso 1 1 calc R . .
C34 C 0.2012(6) 0.1854(3) -1.1499(5) 0.0286(16) Uani 1 1 d . . .
C35 C 0.3082(6) 0.2001(2) -1.1331(5) 0.0246(15) Uani 1 1 d . . .
H35A H 0.3369 0.2169 -1.1822 0.029 Uiso 1 1 calc R . .
C36 C 0.3729(6) 0.1896(2) -1.0417(5) 0.0245(15) Uani 1 1 d . . .
C37 C 0.4828(6) 0.2005(2) -1.0024(5) 0.0236(16) Uani 1 1 d . . .
C38 C 0.5650(6) 0.2255(3) -1.0349(5) 0.0278(17) Uani 1 1 d . . .
H38A H 0.5517 0.2393 -1.0985 0.033 Uiso 1 1 calc R . .
C39 C 0.6643(7) 0.2306(3) -0.9775(5) 0.0299(17) Uani 1 1 d . . .
C40 C 0.6810(7) 0.2080(3) -0.8834(5) 0.0327(18) Uani 1 1 d . . .
H40A H 0.7501 0.2101 -0.8438 0.039 Uiso 1 1 calc R . .
C41 C 0.6033(7) 0.1838(3) -0.8474(5) 0.0305(17) Uani 1 1 d . . .
H41A H 0.6169 0.1699 -0.7839 0.037 Uiso 1 1 calc R . .
C42 C 0.5041(6) 0.1803(2) -0.9071(5) 0.0262(16) Uani 1 1 d . . .
C43 C 0.1261(6) 0.1979(3) -1.2462(6) 0.0316(18) Uani 1 1 d . . .
C44 C 0.0278(8) 0.2222(4) -1.2201(8) 0.054(3) Uani 1 1 d . . .
H44A H 0.0504 0.2501 -1.1843 0.080 Uiso 1 1 calc R . .
H44B H -0.0089 0.2026 -1.1781 0.080 Uiso 1 1 calc R . .
H44C H -0.0216 0.2294 -1.2810 0.080 Uiso 1 1 calc R . .
C45 C 0.1794(8) 0.2263(4) -1.3163(7) 0.052(3) Uani 1 1 d . . .
H45A H 0.2048 0.2546 -1.2836 0.077 Uiso 1 1 calc R . .
H45B H 0.1274 0.2329 -1.3759 0.077 Uiso 1 1 calc R . .
H45C H 0.2407 0.2097 -1.3349 0.077 Uiso 1 1 calc R . .
C46 C 0.0869(8) 0.1538(3) -1.3034(7) 0.048(2) Uani 1 1 d . . .
H46A H 0.1491 0.1377 -1.3216 0.072 Uiso 1 1 calc R . .
H46B H 0.0369 0.1616 -1.3636 0.072 Uiso 1 1 calc R . .
H46C H 0.0502 0.1344 -1.2610 0.072 Uiso 1 1 calc R . .
C47 C 0.7541(7) 0.2594(3) -1.0067(6) 0.041(2) Uani 1 1 d . . .
C48 C 0.7736(9) 0.2990(3) -0.9389(9) 0.058(3) Uani 1 1 d . . .
H48A H 0.8320 0.3174 -0.9575 0.087 Uiso 1 1 calc R . .
H48B H 0.7938 0.2884 -0.8705 0.087 Uiso 1 1 calc R . .
H48C H 0.7077 0.3172 -0.9440 0.087 Uiso 1 1 calc R . .
C49 C 0.7280(11) 0.2772(6) -1.1108(9) 0.115(7) Uani 1 1 d . . .
H49A H 0.7890 0.2949 -1.1264 0.173 Uiso 1 1 calc R . .
H49B H 0.6638 0.2964 -1.1166 0.173 Uiso 1 1 calc R . .
H49C H 0.7143 0.2518 -1.1572 0.173 Uiso 1 1 calc R . .
C50 C 0.8601(9) 0.2327(4) -0.9978(9) 0.062(3) Uani 1 1 d . . .
H50A H 0.9163 0.2520 -1.0179 0.093 Uiso 1 1 calc R . .
H50B H 0.8497 0.2061 -1.0409 0.093 Uiso 1 1 calc R . .
H50C H 0.8820 0.2231 -0.9289 0.093 Uiso 1 1 calc R . .
C51 C 1.0407(14) 0.1342(8) 0.4031(11) 0.154(10) Uani 1 1 d . . .
H51A H 0.9939 0.1585 0.4201 0.231 Uiso 1 1 calc R . .
H51B H 1.1118 0.1465 0.3973 0.231 Uiso 1 1 calc R . .
H51C H 1.0483 0.1111 0.4551 0.231 Uiso 1 1 calc R . .
C52 C 0.9906(14) 0.1480(8) 0.2296(11) 0.148(10) Uani 1 1 d . . .
H52A H 0.9445 0.1733 0.2427 0.223 Uiso 1 1 calc R . .
H52B H 0.9622 0.1345 0.1653 0.223 Uiso 1 1 calc R . .
H52C H 1.0639 0.1591 0.2284 0.223 Uiso 1 1 calc R . .
C53 C 1.0648(14) 0.0763(6) 0.280(2) 0.180(13) Uani 1 1 d . . .
H53A H 1.1373 0.0883 0.2788 0.271 Uiso 1 1 calc R . .
H53B H 1.0351 0.0645 0.2144 0.271 Uiso 1 1 calc R . .
H53C H 1.0687 0.0519 0.3290 0.271 Uiso 1 1 calc R . .
C54 C 0.7025(10) -0.0045(3) 0.5110(7) 0.054(3) Uani 1 1 d . . .
H54A H 0.6848 -0.0139 0.5754 0.081 Uiso 1 1 calc R . .
H54B H 0.7667 -0.0207 0.4980 0.081 Uiso 1 1 calc R . .
H54C H 0.6418 -0.0113 0.4588 0.081 Uiso 1 1 calc R . .
C55 C 0.6249(9) 0.0711(3) 0.5286(7) 0.051(3) Uani 1 1 d . . .
H55A H 0.6383 0.1037 0.5301 0.076 Uiso 1 1 calc R . .
H55B H 0.6045 0.0616 0.5918 0.076 Uiso 1 1 calc R . .
H55C H 0.5665 0.0640 0.4744 0.076 Uiso 1 1 calc R . .
C56 C 0.8139(9) 0.0586(4) 0.5950(7) 0.057(3) Uani 1 1 d . . .
H56A H 0.8254 0.0914 0.5962 0.086 Uiso 1 1 calc R . .
H56B H 0.8803 0.0433 0.5843 0.086 Uiso 1 1 calc R . .
H56C H 0.7945 0.0489 0.6585 0.086 Uiso 1 1 calc R . .
C57 C 1.1699(11) 0.0398(5) -0.2088(10) 0.082(4) Uani 1 1 d . . .
H57A H 1.1985 0.0708 -0.1958 0.098 Uiso 1 1 calc R . .
H57B H 1.2309 0.0185 -0.1937 0.098 Uiso 1 1 calc R . .
Cl1 Cl 1.1160(4) 0.03518(14) -0.3306(3) 0.1001(12) Uani 1 1 d . . .
Cl2 Cl 1.0771(4) 0.02876(16) -0.1311(4) 0.1134(14) 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
Pt C1 1.983(8) . ?
Pt O2 1.996(5) . ?
Pt N1 2.030(6) . ?
Pt O1 2.111(6) . ?
O1 C17 1.252(10) . ?
O2 C19 1.295(10) . ?
N1 C7 1.336(10) . ?
N1 C15 1.402(9) . ?
N2 C42 1.388(10) . ?
N2 C31 1.398(10) . ?
N2 C30 1.456(9) . ?
C1 C2 1.372(11) . ?
C1 C6 1.419(10) . ?
C2 C3 1.366(13) . ?
C3 C4 1.399(12) . ?
C4 C5 1.403(12) . ?
C5 C6 1.370(11) . ?
C6 C7 1.472(10) . ?
C7 C8 1.407(10) . ?
C8 C9 1.385(10) . ?
C9 C10 1.404(11) . ?
C9 C21 1.474(10) . ?
C10 C11 1.417(11) . ?
C10 C15 1.447(10) . ?
C11 C12 1.353(12) . ?
C12 C13 1.386(13) . ?
C13 C14 1.380(12) . ?
C14 C15 1.388(11) . ?
C16 C51 1.470(15) . ?
C16 C52 1.472(18) . ?
C16 C53 1.520(19) . ?
C16 C17 1.537(13) . ?
C17 C18 1.417(12) . ?
C18 C19 1.388(12) . ?
C19 C20 1.536(11) . ?
C20 C55 1.490(14) . ?
C20 C56 1.499(13) . ?
C20 C54 1.542(13) . ?
C21 C26 1.397(11) . ?
C21 C22 1.418(10) . ?
C22 C23 1.368(10) . ?
C23 C24 1.390(11) . ?
C24 C25 1.396(11) . ?
C24 C27 1.513(10) . ?
C25 C26 1.404(10) . ?
C27 C28 1.527(11) . ?
C28 C29 1.526(9) . ?
C29 C30 1.537(10) . ?
C31 C32 1.389(12) . ?
C31 C36 1.406(10) . ?
C32 C33 1.368(12) . ?
C33 C34 1.396(11) . ?
C34 C35 1.398(10) . ?
C34 C43 1.538(10) . ?
C35 C36 1.412(10) . ?
C36 C37 1.438(10) . ?
C37 C38 1.397(11) . ?
C37 C42 1.420(10) . ?
C38 C39 1.374(11) . ?
C39 C40 1.433(10) . ?
C39 C47 1.517(12) . ?
C40 C41 1.364(12) . ?
C41 C42 1.382(10) . ?
C43 C45 1.507(12) . ?
C43 C44 1.519(13) . ?
C43 C46 1.560(12) . ?
C47 C48 1.489(13) . ?
C47 C49 1.503(13) . ?
C47 C50 1.536(14) . ?
C57 Cl1 1.700(14) . ?
C57 Cl2 1.727(16) . ?

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
C1 Pt O2 89.8(3) . . ?
C1 Pt N1 80.6(3) . . ?
O2 Pt N1 169.8(3) . . ?
C1 Pt O1 176.7(3) . . ?
O2 Pt O1 88.1(2) . . ?
N1 Pt O1 101.4(2) . . ?
C17 O1 Pt 126.9(6) . . ?
C19 O2 Pt 128.5(5) . . ?
C7 N1 C15 117.8(6) . . ?
C7 N1 Pt 115.3(5) . . ?
C15 N1 Pt 126.8(5) . . ?
C42 N2 C31 108.6(6) . . ?
C42 N2 C30 124.1(6) . . ?
C31 N2 C30 127.1(7) . . ?
C2 C1 C6 117.8(8) . . ?
C2 C1 Pt 127.7(6) . . ?
C6 C1 Pt 114.1(5) . . ?
C3 C2 C1 120.4(8) . . ?
C2 C3 C4 122.3(8) . . ?
C3 C4 C5 118.1(8) . . ?
C6 C5 C4 119.1(8) . . ?
C5 C6 C1 122.2(7) . . ?
C5 C6 C7 123.9(7) . . ?
C1 C6 C7 113.9(7) . . ?
N1 C7 C8 123.5(7) . . ?
N1 C7 C6 114.1(6) . . ?
C8 C7 C6 122.4(7) . . ?
C9 C8 C7 120.2(7) . . ?
C8 C9 C10 117.9(7) . . ?
C8 C9 C21 119.2(7) . . ?
C10 C9 C21 122.8(7) . . ?
C9 C10 C11 123.9(7) . . ?
C9 C10 C15 119.6(7) . . ?
C11 C10 C15 116.4(7) . . ?
C12 C11 C10 122.0(8) . . ?
C11 C12 C13 121.2(8) . . ?
C14 C13 C12 119.4(8) . . ?
C13 C14 C15 121.3(8) . . ?
C14 C15 N1 120.1(7) . . ?
C14 C15 C10 119.7(7) . . ?
N1 C15 C10 120.1(7) . . ?
C51 C16 C52 108.6(13) . . ?
C51 C16 C53 110.1(15) . . ?
C52 C16 C53 105.1(15) . . ?
C51 C16 C17 113.4(9) . . ?
C52 C16 C17 111.4(9) . . ?
C53 C16 C17 107.9(10) . . ?
O1 C17 C18 125.1(8) . . ?
O1 C17 C16 114.7(7) . . ?
C18 C17 C16 120.2(8) . . ?
C19 C18 C17 125.4(8) . . ?
O2 C19 C18 125.7(7) . . ?
O2 C19 C20 112.5(7) . . ?
C18 C19 C20 121.7(7) . . ?
C55 C20 C56 109.0(8) . . ?
C55 C20 C19 108.3(7) . . ?
C56 C20 C19 112.0(8) . . ?
C55 C20 C54 108.8(9) . . ?
C56 C20 C54 110.7(8) . . ?
C19 C20 C54 108.1(7) . . ?
C26 C21 C22 118.0(7) . . ?
C26 C21 C9 120.9(7) . . ?
C22 C21 C9 121.1(7) . . ?
C23 C22 C21 120.5(7) . . ?
C22 C23 C24 122.4(7) . . ?
C23 C24 C25 117.4(7) . . ?
C23 C24 C27 121.5(7) . . ?
C25 C24 C27 120.9(7) . . ?
C24 C25 C26 121.5(7) . . ?
C25 C26 C21 120.1(7) . . ?
C24 C27 C28 112.3(6) . . ?
C27 C28 C29 114.6(6) . . ?
C28 C29 C30 110.2(6) . . ?
N2 C30 C29 113.4(6) . . ?
C32 C31 N2 131.4(7) . . ?
C32 C31 C36 120.2(7) . . ?
N2 C31 C36 108.4(7) . . ?
C33 C32 C31 118.3(8) . . ?
C32 C33 C34 123.6(8) . . ?
C35 C34 C33 118.6(7) . . ?
C35 C34 C43 120.6(7) . . ?
C33 C34 C43 120.8(7) . . ?
C34 C35 C36 118.7(7) . . ?
C31 C36 C35 120.6(7) . . ?
C31 C36 C37 107.8(6) . . ?
C35 C36 C37 131.7(7) . . ?
C38 C37 C42 118.2(7) . . ?
C38 C37 C36 135.6(6) . . ?
C42 C37 C36 106.1(6) . . ?
C39 C38 C37 121.8(6) . . ?
C38 C39 C40 116.9(7) . . ?
C38 C39 C47 123.9(7) . . ?
C40 C39 C47 119.2(7) . . ?
C41 C40 C39 123.8(7) . . ?
C40 C41 C42 117.2(7) . . ?
C41 C42 N2 128.8(7) . . ?
C41 C42 C37 122.1(7) . . ?
N2 C42 C37 109.1(6) . . ?
C45 C43 C44 110.2(8) . . ?
C45 C43 C34 113.7(7) . . ?
C44 C43 C34 109.0(7) . . ?
C45 C43 C46 106.5(7) . . ?
C44 C43 C46 108.0(7) . . ?
C34 C43 C46 109.2(7) . . ?
C48 C47 C49 107.6(10) . . ?
C48 C47 C39 109.5(8) . . ?
C49 C47 C39 112.7(7) . . ?
C48 C47 C50 107.4(8) . . ?
C49 C47 C50 108.1(10) . . ?
C39 C47 C50 111.3(8) . . ?
Cl1 C57 Cl2 112.5(8) . . ?

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
C1 Pt O1 C17 49(5) . . . . ?
O2 Pt O1 C17 -0.4(7) . . . . ?
N1 Pt O1 C17 175.8(7) . . . . ?
C1 Pt O2 C19 -172.7(7) . . . . ?
N1 Pt O2 C19 -153.8(11) . . . . ?
O1 Pt O2 C19 4.9(7) . . . . ?
C1 Pt N1 C7 13.3(5) . . . . ?
O2 Pt N1 C7 -5.8(16) . . . . ?
O1 Pt N1 C7 -164.1(5) . . . . ?
C1 Pt N1 C15 -171.7(6) . . . . ?
O2 Pt N1 C15 169.1(12) . . . . ?
O1 Pt N1 C15 10.9(6) . . . . ?
O2 Pt C1 C2 -6.2(8) . . . . ?
N1 Pt C1 C2 177.1(8) . . . . ?
O1 Pt C1 C2 -55(5) . . . . ?
O2 Pt C1 C6 166.5(6) . . . . ?
N1 Pt C1 C6 -10.2(5) . . . . ?
O1 Pt C1 C6 117(5) . . . . ?
C6 C1 C2 C3 2.5(12) . . . . ?
Pt C1 C2 C3 175.0(6) . . . . ?
C1 C2 C3 C4 -3.6(14) . . . . ?
C2 C3 C4 C5 2.7(14) . . . . ?
C3 C4 C5 C6 -0.7(13) . . . . ?
C4 C5 C6 C1 -0.3(12) . . . . ?
C4 C5 C6 C7 179.3(7) . . . . ?
C2 C1 C6 C5 -0.6(12) . . . . ?
Pt C1 C6 C5 -174.1(6) . . . . ?
C2 C1 C6 C7 179.7(7) . . . . ?
Pt C1 C6 C7 6.2(8) . . . . ?
C15 N1 C7 C8 -9.0(10) . . . . ?
Pt N1 C7 C8 166.5(5) . . . . ?
C15 N1 C7 C6 171.2(6) . . . . ?
Pt N1 C7 C6 -13.4(8) . . . . ?
C5 C6 C7 N1 -174.9(7) . . . . ?
C1 C6 C7 N1 4.7(9) . . . . ?
C5 C6 C7 C8 5.2(11) . . . . ?
C1 C6 C7 C8 -175.1(7) . . . . ?
N1 C7 C8 C9 2.5(11) . . . . ?
C6 C7 C8 C9 -177.7(7) . . . . ?
C7 C8 C9 C10 5.8(10) . . . . ?
C7 C8 C9 C21 -176.5(7) . . . . ?
C8 C9 C10 C11 168.7(7) . . . . ?
C21 C9 C10 C11 -8.9(12) . . . . ?
C8 C9 C10 C15 -7.1(10) . . . . ?
C21 C9 C10 C15 175.3(7) . . . . ?
C9 C10 C11 C12 -174.8(8) . . . . ?
C15 C10 C11 C12 1.2(12) . . . . ?
C10 C11 C12 C13 -2.3(14) . . . . ?
C11 C12 C13 C14 1.4(15) . . . . ?
C12 C13 C14 C15 0.5(15) . . . . ?
C13 C14 C15 N1 174.6(8) . . . . ?
C13 C14 C15 C10 -1.5(13) . . . . ?
C7 N1 C15 C14 -168.9(7) . . . . ?
Pt N1 C15 C14 16.3(10) . . . . ?
C7 N1 C15 C10 7.2(10) . . . . ?
Pt N1 C15 C10 -167.6(5) . . . . ?
C9 C10 C15 C14 176.8(7) . . . . ?
C11 C10 C15 C14 0.7(11) . . . . ?
C9 C10 C15 N1 0.7(11) . . . . ?
C11 C10 C15 N1 -175.4(7) . . . . ?
Pt O1 C17 C18 -4.1(13) . . . . ?
Pt O1 C17 C16 177.1(6) . . . . ?
C51 C16 C17 O1 156.7(14) . . . . ?
C52 C16 C17 O1 33.9(15) . . . . ?
C53 C16 C17 O1 -81.0(15) . . . . ?
C51 C16 C17 C18 -22.1(17) . . . . ?
C52 C16 C17 C18 -144.9(13) . . . . ?
C53 C16 C17 C18 100.2(15) . . . . ?
O1 C17 C18 C19 5.6(16) . . . . ?
C16 C17 C18 C19 -175.7(9) . . . . ?
Pt O2 C19 C18 -5.1(13) . . . . ?
Pt O2 C19 C20 176.4(5) . . . . ?
C17 C18 C19 O2 -0.7(15) . . . . ?
C17 C18 C19 C20 177.7(9) . . . . ?
O2 C19 C20 C55 -61.6(10) . . . . ?
C18 C19 C20 C55 119.9(10) . . . . ?
O2 C19 C20 C56 178.3(8) . . . . ?
C18 C19 C20 C56 -0.3(12) . . . . ?
O2 C19 C20 C54 56.2(10) . . . . ?
C18 C19 C20 C54 -122.4(9) . . . . ?
C8 C9 C21 C26 135.0(8) . . . . ?
C10 C9 C21 C26 -47.4(11) . . . . ?
C8 C9 C21 C22 -44.7(10) . . . . ?
C10 C9 C21 C22 132.9(8) . . . . ?
C26 C21 C22 C23 1.5(11) . . . . ?
C9 C21 C22 C23 -178.7(7) . . . . ?
C21 C22 C23 C24 -1.0(12) . . . . ?
C22 C23 C24 C25 -0.1(12) . . . . ?
C22 C23 C24 C27 175.9(7) . . . . ?
C23 C24 C25 C26 0.8(11) . . . . ?
C27 C24 C25 C26 -175.2(7) . . . . ?
C24 C25 C26 C21 -0.3(12) . . . . ?
C22 C21 C26 C25 -0.9(11) . . . . ?
C9 C21 C26 C25 179.4(7) . . . . ?
C23 C24 C27 C28 -66.6(10) . . . . ?
C25 C24 C27 C28 109.3(9) . . . . ?
C24 C27 C28 C29 -169.0(7) . . . . ?
C27 C28 C29 C30 -176.0(7) . . . . ?
C42 N2 C30 C29 85.4(9) . . . . ?
C31 N2 C30 C29 -88.7(9) . . . . ?
C28 C29 C30 N2 -162.5(7) . . . . ?
C42 N2 C31 C32 -179.1(8) . . . . ?
C30 N2 C31 C32 -4.3(13) . . . . ?
C42 N2 C31 C36 0.7(8) . . . . ?
C30 N2 C31 C36 175.6(7) . . . . ?
N2 C31 C32 C33 -178.2(8) . . . . ?
C36 C31 C32 C33 2.0(12) . . . . ?
C31 C32 C33 C34 -3.4(14) . . . . ?
C32 C33 C34 C35 3.6(13) . . . . ?
C32 C33 C34 C43 -175.9(8) . . . . ?
C33 C34 C35 C36 -2.4(11) . . . . ?
C43 C34 C35 C36 177.1(7) . . . . ?
C32 C31 C36 C35 -1.0(11) . . . . ?
N2 C31 C36 C35 179.1(7) . . . . ?
C32 C31 C36 C37 178.9(7) . . . . ?
N2 C31 C36 C37 -1.0(8) . . . . ?
C34 C35 C36 C31 1.2(11) . . . . ?
C34 C35 C36 C37 -178.6(8) . . . . ?
C31 C36 C37 C38 -177.7(8) . . . . ?
C35 C36 C37 C38 2.2(15) . . . . ?
C31 C36 C37 C42 0.9(8) . . . . ?
C35 C36 C37 C42 -179.3(8) . . . . ?
C42 C37 C38 C39 0.2(11) . . . . ?
C36 C37 C38 C39 178.6(8) . . . . ?
C37 C38 C39 C40 1.6(12) . . . . ?
C37 C38 C39 C47 -176.5(8) . . . . ?
C38 C39 C40 C41 -2.6(12) . . . . ?
C47 C39 C40 C41 175.6(8) . . . . ?
C39 C40 C41 C42 1.6(12) . . . . ?
C40 C41 C42 N2 -179.2(7) . . . . ?
C40 C41 C42 C37 0.4(11) . . . . ?
C31 N2 C42 C41 179.5(8) . . . . ?
C30 N2 C42 C41 4.5(12) . . . . ?
C31 N2 C42 C37 -0.2(8) . . . . ?
C30 N2 C42 C37 -175.2(7) . . . . ?
C38 C37 C42 C41 -1.3(11) . . . . ?
C36 C37 C42 C41 179.9(7) . . . . ?
C38 C37 C42 N2 178.4(6) . . . . ?
C36 C37 C42 N2 -0.4(8) . . . . ?
C35 C34 C43 C45 0.2(11) . . . . ?
C33 C34 C43 C45 179.7(8) . . . . ?
C35 C34 C43 C44 -123.2(9) . . . . ?
C33 C34 C43 C44 56.3(10) . . . . ?
C35 C34 C43 C46 119.0(8) . . . . ?
C33 C34 C43 C46 -61.5(10) . . . . ?
C38 C39 C47 C48 112.5(9) . . . . ?
C40 C39 C47 C48 -65.5(11) . . . . ?
C38 C39 C47 C49 -7.2(15) . . . . ?
C40 C39 C47 C49 174.7(11) . . . . ?
C38 C39 C47 C50 -128.9(9) . . . . ?
C40 C39 C47 C50 53.1(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        26.04
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.051
_refine_diff_density_min         -2.251
_refine_diff_density_rms         0.145

####################################################################### 
# 
# 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_v095
_database_code_depnum_ccdc_archive 'CCDC 1032776'
_audit_update_record             
;
2014-11-05 deposited with the CCDC.
2015-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H56 N2 O2 Pt'
_chemical_formula_weight         936.08

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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1108(4)
_cell_length_b                   10.6323(4)
_cell_length_c                   20.9287(8)
_cell_angle_alpha                94.0210(10)
_cell_angle_beta                 99.3170(10)
_cell_angle_gamma                97.3480(10)
_cell_volume                     2192.44(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    185(2)
_cell_measurement_reflns_used    7842
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      26.01

_exptl_crystal_description       needle
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             952
_exptl_absorpt_coefficient_mu    3.242
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4861
_exptl_absorpt_correction_T_max  0.7815
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      185(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11428
_diffrn_reflns_av_R_equivalents  0.0125
_diffrn_reflns_av_sigmaI/netI    0.0260
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         25.50
_reflns_number_total             7985
_reflns_number_gt                7311
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0382P)²+0.9373P] 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_number_reflns         7985
_refine_ls_number_parameters     541
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0642
_refine_ls_wR_factor_gt          0.0622
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.589777(12) 0.596184(11) 0.818778(6) 0.02587(5) Uani 1 1 d . . .
O1 O 0.4263(2) 0.5008(2) 0.75049(11) 0.0325(5) Uani 1 1 d . . .
O2 O 0.6985(2) 0.6094(2) 0.74780(11) 0.0350(5) Uani 1 1 d . . .
N1 N 0.5008(3) 0.6106(2) 0.89961(13) 0.0264(6) Uani 1 1 d . . .
N2 N 0.1520(3) 0.8733(3) 1.22028(13) 0.0331(6) Uani 1 1 d . . .
C1 C 0.7432(3) 0.6902(3) 0.88041(15) 0.0265(6) Uani 1 1 d . . .
C2 C 0.8788(3) 0.7117(3) 0.87207(16) 0.0334(7) Uani 1 1 d . . .
H2A H 0.9038 0.6798 0.8329 0.040 Uiso 1 1 calc R . .
C3 C 0.9762(4) 0.7791(3) 0.92062(18) 0.0365(8) Uani 1 1 d . . .
H3A H 1.0681 0.7910 0.9148 0.044 Uiso 1 1 calc R . .
C4 C 0.9424(4) 0.8294(3) 0.97751(18) 0.0378(8) Uani 1 1 d . . .
H4A H 1.0104 0.8773 1.0099 0.045 Uiso 1 1 calc R . .
C5 C 0.8091(4) 0.8100(3) 0.98713(17) 0.0353(8) Uani 1 1 d . . .
H5A H 0.7850 0.8446 1.0260 0.042 Uiso 1 1 calc R . .
C6 C 0.7108(3) 0.7391(3) 0.93909(15) 0.0279(7) Uani 1 1 d . . .
C7 C 0.5711(3) 0.6985(3) 0.94669(15) 0.0271(7) Uani 1 1 d . . .
C8 C 0.5130(3) 0.7417(3) 0.99957(15) 0.0300(7) Uani 1 1 d . . .
H8A H 0.5647 0.8046 1.0315 0.036 Uiso 1 1 calc R . .
C9 C 0.3839(3) 0.6949(3) 1.00576(16) 0.0304(7) Uani 1 1 d . . .
C10 C 0.3113(3) 0.5952(3) 0.95923(16) 0.0311(7) Uani 1 1 d . . .
C11 C 0.1790(4) 0.5367(4) 0.96278(19) 0.0421(9) Uani 1 1 d . . .
H11A H 0.1330 0.5674 0.9955 0.051 Uiso 1 1 calc R . .
C12 C 0.1172(4) 0.4361(4) 0.9192(2) 0.0509(10) Uani 1 1 d . . .
H12A H 0.0286 0.3970 0.9219 0.061 Uiso 1 1 calc R . .
C13 C 0.1834(4) 0.3906(4) 0.8708(2) 0.0499(10) Uani 1 1 d . . .
H13A H 0.1404 0.3192 0.8416 0.060 Uiso 1 1 calc R . .
C14 C 0.3091(4) 0.4469(3) 0.86491(18) 0.0394(8) Uani 1 1 d . . .
H14A H 0.3530 0.4144 0.8318 0.047 Uiso 1 1 calc R . .
C15 C 0.3739(3) 0.5524(3) 0.90728(16) 0.0299(7) Uani 1 1 d . . .
C16 C 0.3240(3) 0.7433(3) 1.06189(16) 0.0320(7) Uani 1 1 d . . .
C17 C 0.2914(4) 0.6621(4) 1.10839(18) 0.0415(9) Uani 1 1 d . . .
H17A H 0.3067 0.5759 1.1038 0.050 Uiso 1 1 calc R . .
C18 C 0.2375(4) 0.7049(4) 1.16085(18) 0.0404(9) Uani 1 1 d . . .
H18A H 0.2170 0.6485 1.1923 0.048 Uiso 1 1 calc R . .
C19 C 0.2131(3) 0.8302(3) 1.16779(16) 0.0310(7) Uani 1 1 d . . .
C20 C 0.2480(3) 0.9139(3) 1.12269(16) 0.0315(7) Uani 1 1 d . . .
H20A H 0.2345 1.0006 1.1279 0.038 Uiso 1 1 calc R . .
C21 C 0.3023(3) 0.8694(3) 1.07025(16) 0.0317(7) Uani 1 1 d . . .
H21A H 0.3252 0.9262 1.0394 0.038 Uiso 1 1 calc R . .
C22 C 0.2903(4) 0.4100(3) 0.65048(18) 0.0391(8) Uani 1 1 d . . .
C23 C 0.4225(4) 0.4809(3) 0.68985(17) 0.0339(8) Uani 1 1 d . . .
C24 C 0.5306(4) 0.5208(3) 0.65751(17) 0.0398(8) Uani 1 1 d . . .
H24A H 0.5146 0.5039 0.6115 0.048 Uiso 1 1 calc R . .
C25 C 0.6576(4) 0.5822(3) 0.68621(17) 0.0360(8) Uani 1 1 d . A .
C26 C 0.7656(4) 0.6270(4) 0.64598(17) 0.0490(10) Uani 1 1 d D . .
C27 C 0.8871(7) 0.5586(9) 0.6688(4) 0.085(3) Uani 0.70 1 d PD A 1
H27A H 0.8609 0.4664 0.6588 0.128 Uiso 0.70 1 calc PR A 1
H27B H 0.9165 0.5782 0.7158 0.128 Uiso 0.70 1 calc PR A 1
H27C H 0.9616 0.5874 0.6462 0.128 Uiso 0.70 1 calc PR A 1
C28 C 0.7148(8) 0.5875(8) 0.5730(3) 0.071(2) Uani 0.70 1 d PD A 1
H28A H 0.6945 0.4944 0.5657 0.106 Uiso 0.70 1 calc PR A 1
H28B H 0.7850 0.6178 0.5482 0.106 Uiso 0.70 1 calc PR A 1
H28C H 0.6327 0.6250 0.5586 0.106 Uiso 0.70 1 calc PR A 1
C29 C 0.7966(10) 0.7678(5) 0.6593(4) 0.093(4) Uani 0.70 1 d PD A 1
H29A H 0.8659 0.8002 0.6344 0.139 Uiso 0.70 1 calc PR A 1
H29B H 0.8302 0.7901 0.7058 0.139 Uiso 0.70 1 calc PR A 1
H29C H 0.7142 0.8059 0.6463 0.139 Uiso 0.70 1 calc PR A 1
C27' C 0.9093(10) 0.6737(17) 0.6896(6) 0.068(5) Uani 0.30 1 d PD A 2
H27D H 0.8995 0.7343 0.7254 0.102 Uiso 0.30 1 calc PR A 2
H27E H 0.9703 0.7154 0.6630 0.102 Uiso 0.30 1 calc PR A 2
H27F H 0.9470 0.6004 0.7072 0.102 Uiso 0.30 1 calc PR A 2
C28' C 0.7865(19) 0.5325(15) 0.5917(8) 0.092(8) Uani 0.30 1 d PD A 2
H28D H 0.8581 0.5708 0.5697 0.138 Uiso 0.30 1 calc PR A 2
H28E H 0.7021 0.5107 0.5603 0.138 Uiso 0.30 1 calc PR A 2
H28F H 0.8126 0.4552 0.6101 0.138 Uiso 0.30 1 calc PR A 2
C29' C 0.7250(16) 0.7492(13) 0.6149(10) 0.092(8) Uani 0.30 1 d PD A 2
H29D H 0.7174 0.8139 0.6493 0.138 Uiso 0.30 1 calc PR A 2
H29E H 0.6378 0.7278 0.5856 0.138 Uiso 0.30 1 calc PR A 2
H29F H 0.7944 0.7826 0.5904 0.138 Uiso 0.30 1 calc PR A 2
C30 C 0.2246(5) 0.4984(4) 0.6034(2) 0.0593(11) Uani 1 1 d . . .
H30A H 0.2867 0.5256 0.5740 0.089 Uiso 1 1 calc R . .
H30B H 0.2051 0.5734 0.6283 0.089 Uiso 1 1 calc R . .
H30C H 0.1401 0.4526 0.5780 0.089 Uiso 1 1 calc R . .
C31 C 0.1875(5) 0.3725(5) 0.6945(2) 0.0750(16) Uani 1 1 d . . .
H31A H 0.2244 0.3158 0.7255 0.112 Uiso 1 1 calc R . .
H31B H 0.1034 0.3285 0.6679 0.112 Uiso 1 1 calc R . .
H31C H 0.1688 0.4492 0.7182 0.112 Uiso 1 1 calc R . .
C32 C 0.3151(6) 0.2918(5) 0.6119(3) 0.0841(18) Uani 1 1 d . . .
H32A H 0.3566 0.2352 0.6417 0.126 Uiso 1 1 calc R . .
H32B H 0.3759 0.3164 0.5815 0.126 Uiso 1 1 calc R . .
H32C H 0.2288 0.2475 0.5875 0.126 Uiso 1 1 calc R . .
C33 C 0.1891(3) 0.8565(3) 1.28607(15) 0.0304(7) Uani 1 1 d . . .
C34 C 0.2996(4) 0.8084(4) 1.31817(17) 0.0393(8) Uani 1 1 d . . .
H34A H 0.3640 0.7773 1.2950 0.047 Uiso 1 1 calc R . .
C35 C 0.3136(4) 0.8070(4) 1.38524(17) 0.0383(8) Uani 1 1 d . . .
H35A H 0.3889 0.7736 1.4076 0.046 Uiso 1 1 calc R . .
C36 C 0.2211(3) 0.8529(3) 1.42143(15) 0.0306(7) Uani 1 1 d . . .
C37 C 0.1101(3) 0.8996(3) 1.38804(15) 0.0284(7) Uani 1 1 d . . .
H37A H 0.0454 0.9302 1.4112 0.034 Uiso 1 1 calc R . .
C38 C 0.0931(3) 0.9018(3) 1.32068(15) 0.0251(6) Uani 1 1 d . . .
C39 C -0.0081(3) 0.9455(3) 1.27356(15) 0.0252(6) Uani 1 1 d . . .
C40 C -0.1272(3) 0.9958(3) 1.27795(15) 0.0279(7) Uani 1 1 d . . .
H40A H -0.1538 1.0093 1.3191 0.033 Uiso 1 1 calc R . .
C41 C -0.2078(3) 1.0266(3) 1.22216(16) 0.0289(7) Uani 1 1 d . . .
C42 C -0.1661(3) 1.0037(3) 1.16224(16) 0.0316(7) Uani 1 1 d . . .
H42A H -0.2212 1.0229 1.1239 0.038 Uiso 1 1 calc R . .
C43 C -0.0473(3) 0.9539(3) 1.15651(16) 0.0325(7) Uani 1 1 d . . .
H43A H -0.0210 0.9398 1.1153 0.039 Uiso 1 1 calc R . .
C44 C 0.0308(3) 0.9258(3) 1.21222(15) 0.0270(7) Uani 1 1 d . . .
C45 C 0.2384(3) 0.8520(3) 1.49558(16) 0.0335(7) Uani 1 1 d . . .
C46 C 0.3684(4) 0.8017(4) 1.52465(18) 0.0476(10) Uani 1 1 d . . .
H46A H 0.4469 0.8549 1.5139 0.071 Uiso 1 1 calc R . .
H46B H 0.3658 0.7137 1.5066 0.071 Uiso 1 1 calc R . .
H46C H 0.3755 0.8044 1.5720 0.071 Uiso 1 1 calc R . .
C47 C 0.1174(4) 0.7662(4) 1.51314(19) 0.0496(10) Uani 1 1 d . . .
H47A H 0.1282 0.7655 1.5605 0.074 Uiso 1 1 calc R . .
H47B H 0.1136 0.6794 1.4932 0.074 Uiso 1 1 calc R . .
H47C H 0.0333 0.7993 1.4969 0.074 Uiso 1 1 calc R . .
C48 C 0.2430(5) 0.9877(4) 1.52603(19) 0.0508(10) Uani 1 1 d . . .
H48A H 0.3199 1.0425 1.5148 0.076 Uiso 1 1 calc R . .
H48B H 0.2532 0.9877 1.5734 0.076 Uiso 1 1 calc R . .
H48C H 0.1587 1.0200 1.5094 0.076 Uiso 1 1 calc R . .
C49 C -0.3382(4) 1.0838(4) 1.22715(18) 0.0427(9) Uani 1 1 d . . .
C50 C -0.4146(4) 1.1068(4) 1.1614(2) 0.0539(11) Uani 1 1 d . . .
H50A H -0.3578 1.1679 1.1410 0.081 Uiso 1 1 calc R . .
H50B H -0.4979 1.1409 1.1672 0.081 Uiso 1 1 calc R . .
H50D H -0.4376 1.0262 1.1337 0.081 Uiso 1 1 calc R . .
C51 C -0.4364(5) 0.9863(5) 1.2557(3) 0.0688(14) Uani 1 1 d . . .
H51A H -0.5201 1.0218 1.2591 0.103 Uiso 1 1 calc R . .
H51D H -0.3931 0.9689 1.2989 0.103 Uiso 1 1 calc R . .
H51B H -0.4577 0.9069 1.2270 0.103 Uiso 1 1 calc R . .
C52 C -0.3076(6) 1.2029(5) 1.2723(3) 0.0813(18) Uani 1 1 d . . .
H52D H -0.2460 1.2659 1.2554 0.122 Uiso 1 1 calc R . .
H52A H -0.2649 1.1838 1.3154 0.122 Uiso 1 1 calc R . .
H52B H -0.3919 1.2372 1.2759 0.122 Uiso 1 1 calc R . .


_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
Pt C1 1.960(3) . ?
Pt O2 1.989(2) . ?
Pt N1 2.046(3) . ?
Pt O1 2.099(2) . ?
O1 C23 1.265(4) . ?
O2 C25 1.289(4) . ?
N1 C7 1.350(4) . ?
N1 C15 1.391(4) . ?
N2 C33 1.397(4) . ?
N2 C44 1.401(4) . ?
N2 C19 1.422(4) . ?
C1 C6 1.404(4) . ?
C1 C2 1.402(4) . ?
C2 C3 1.382(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.382(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.387(5) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(5) . ?
C5 H5A 0.9500 . ?
C6 C7 1.461(4) . ?
C7 C8 1.410(4) . ?
C8 C9 1.366(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.427(5) . ?
C9 C16 1.496(4) . ?
C10 C15 1.420(5) . ?
C10 C11 1.417(5) . ?
C11 C12 1.370(6) . ?
C11 H11A 0.9500 . ?
C12 C13 1.393(6) . ?
C12 H12A 0.9500 . ?
C13 C14 1.362(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.399(5) . ?
C14 H14A 0.9500 . ?
C16 C21 1.389(5) . ?
C16 C17 1.396(5) . ?
C17 C18 1.377(5) . ?
C17 H17A 0.9500 . ?
C18 C19 1.388(5) . ?
C18 H18A 0.9500 . ?
C19 C20 1.397(5) . ?
C20 C21 1.386(5) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C32 1.516(6) . ?
C22 C23 1.527(5) . ?
C22 C31 1.531(6) . ?
C22 C30 1.541(5) . ?
C23 C24 1.412(5) . ?
C24 C25 1.384(5) . ?
C24 H24A 0.9500 . ?
C25 C26 1.533(5) . ?
C26 C29 1.487(6) . ?
C26 C28' 1.522(8) . ?
C26 C27 1.534(6) . ?
C26 C28 1.541(6) . ?
C26 C29' 1.565(8) . ?
C26 C27' 1.585(8) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C27' H27D 0.9800 . ?
C27' H27E 0.9800 . ?
C27' H27F 0.9800 . ?
C28' H28D 0.9800 . ?
C28' H28E 0.9800 . ?
C28' H28F 0.9800 . ?
C29' H29D 0.9800 . ?
C29' H29E 0.9800 . ?
C29' H29F 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.383(5) . ?
C33 C38 1.413(4) . ?
C34 C35 1.389(5) . ?
C34 H34A 0.9500 . ?
C35 C36 1.407(5) . ?
C35 H35A 0.9500 . ?
C36 C37 1.390(5) . ?
C36 C45 1.534(4) . ?
C37 C38 1.395(4) . ?
C37 H37A 0.9500 . ?
C38 C39 1.448(4) . ?
C39 C40 1.392(4) . ?
C39 C44 1.412(4) . ?
C40 C41 1.395(4) . ?
C40 H40A 0.9500 . ?
C41 C42 1.401(5) . ?
C41 C49 1.537(5) . ?
C42 C43 1.392(5) . ?
C42 H42A 0.9500 . ?
C43 C44 1.372(4) . ?
C43 H43A 0.9500 . ?
C45 C48 1.528(5) . ?
C45 C46 1.533(5) . ?
C45 C47 1.540(5) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C52 1.494(6) . ?
C49 C50 1.516(5) . ?
C49 C51 1.560(6) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50D 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51D 0.9800 . ?
C51 H51B 0.9800 . ?
C52 H52D 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt O2 90.06(12) . . ?
C1 Pt N1 80.59(12) . . ?
O2 Pt N1 169.79(10) . . ?
C1 Pt O1 177.90(10) . . ?
O2 Pt O1 88.62(9) . . ?
N1 Pt O1 100.62(10) . . ?
C23 O1 Pt 126.6(2) . . ?
C25 O2 Pt 128.0(2) . . ?
C7 N1 C15 118.8(3) . . ?
C7 N1 Pt 113.3(2) . . ?
C15 N1 Pt 127.5(2) . . ?
C33 N2 C44 108.4(3) . . ?
C33 N2 C19 127.3(3) . . ?
C44 N2 C19 123.8(3) . . ?
C6 C1 C2 117.9(3) . . ?
C6 C1 Pt 115.0(2) . . ?
C2 C1 Pt 127.1(2) . . ?
C3 C2 C1 120.3(3) . . ?
C3 C2 H2A 119.8 . . ?
C1 C2 H2A 119.8 . . ?
C2 C3 C4 121.2(3) . . ?
C2 C3 H3A 119.4 . . ?
C4 C3 H3A 119.4 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4A 120.1 . . ?
C5 C4 H4A 120.1 . . ?
C4 C5 C6 119.3(3) . . ?
C4 C5 H5A 120.4 . . ?
C6 C5 H5A 120.4 . . ?
C5 C6 C1 121.4(3) . . ?
C5 C6 C7 124.4(3) . . ?
C1 C6 C7 113.9(3) . . ?
N1 C7 C8 121.5(3) . . ?
N1 C7 C6 114.4(3) . . ?
C8 C7 C6 124.1(3) . . ?
C9 C8 C7 121.3(3) . . ?
C9 C8 H8A 119.4 . . ?
C7 C8 H8A 119.4 . . ?
C8 C9 C10 118.2(3) . . ?
C8 C9 C16 120.3(3) . . ?
C10 C9 C16 121.4(3) . . ?
C9 C10 C15 118.9(3) . . ?
C9 C10 C11 122.6(3) . . ?
C15 C10 C11 118.5(3) . . ?
C12 C11 C10 120.2(4) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C11 C12 C13 120.4(4) . . ?
C11 C12 H12A 119.8 . . ?
C13 C12 H12A 119.8 . . ?
C14 C13 C12 120.9(4) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C13 C14 C15 120.4(3) . . ?
C13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
N1 C15 C14 119.7(3) . . ?
N1 C15 C10 120.9(3) . . ?
C14 C15 C10 119.4(3) . . ?
C21 C16 C17 118.3(3) . . ?
C21 C16 C9 121.6(3) . . ?
C17 C16 C9 120.1(3) . . ?
C18 C17 C16 121.2(3) . . ?
C18 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
C17 C18 C19 120.0(3) . . ?
C17 C18 H18A 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C18 C19 C20 119.8(3) . . ?
C18 C19 N2 120.2(3) . . ?
C20 C19 N2 120.0(3) . . ?
C21 C20 C19 119.4(3) . . ?
C21 C20 H20A 120.3 . . ?
C19 C20 H20A 120.3 . . ?
C20 C21 C16 121.3(3) . . ?
C20 C21 H21A 119.4 . . ?
C16 C21 H21A 119.4 . . ?
C32 C22 C23 111.0(3) . . ?
C32 C22 C31 109.5(4) . . ?
C23 C22 C31 111.3(3) . . ?
C32 C22 C30 109.2(4) . . ?
C23 C22 C30 109.6(3) . . ?
C31 C22 C30 106.1(4) . . ?
O1 C23 C24 124.3(3) . . ?
O1 C23 C22 116.3(3) . . ?
C24 C23 C22 119.4(3) . . ?
C25 C24 C23 126.4(3) . . ?
C25 C24 H24A 116.8 . . ?
C23 C24 H24A 116.8 . . ?
O2 C25 C24 125.4(3) . . ?
O2 C25 C26 112.6(3) . . ?
C24 C25 C26 122.0(3) . . ?
C29 C26 C25 107.0(4) . . ?
C28' C26 C25 116.6(8) . . ?
C29 C26 C27 113.0(5) . . ?
C25 C26 C27 105.9(4) . . ?
C29 C26 C28 111.2(5) . . ?
C25 C26 C28 110.9(4) . . ?
C27 C26 C28 108.6(4) . . ?
C28' C26 C29' 108.0(7) . . ?
C25 C26 C29' 107.4(7) . . ?
C28' C26 C27' 107.3(7) . . ?
C25 C26 C27' 112.6(6) . . ?
C29' C26 C27' 104.1(6) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C27' H27D 109.5 . . ?
C26 C27' H27E 109.5 . . ?
H27D C27' H27E 109.5 . . ?
C26 C27' H27F 109.5 . . ?
H27D C27' H27F 109.5 . . ?
H27E C27' H27F 109.5 . . ?
C26 C28' H28D 109.5 . . ?
C26 C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C26 C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C26 C29' H29D 109.5 . . ?
C26 C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C26 C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C22 C30 H30A 109.5 . . ?
C22 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C22 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C22 C31 H31A 109.5 . . ?
C22 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C22 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C22 C32 H32A 109.5 . . ?
C22 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C22 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 N2 130.4(3) . . ?
C34 C33 C38 120.7(3) . . ?
N2 C33 C38 108.8(3) . . ?
C33 C34 C35 118.0(3) . . ?
C33 C34 H34A 121.0 . . ?
C35 C34 H34A 121.0 . . ?
C34 C35 C36 122.9(3) . . ?
C34 C35 H35A 118.6 . . ?
C36 C35 H35A 118.6 . . ?
C37 C36 C35 118.1(3) . . ?
C37 C36 C45 119.5(3) . . ?
C35 C36 C45 122.4(3) . . ?
C36 C37 C38 120.3(3) . . ?
C36 C37 H37A 119.9 . . ?
C38 C37 H37A 119.9 . . ?
C37 C38 C33 120.0(3) . . ?
C37 C38 C39 133.0(3) . . ?
C33 C38 C39 107.0(3) . . ?
C40 C39 C44 119.5(3) . . ?
C40 C39 C38 133.6(3) . . ?
C44 C39 C38 106.9(3) . . ?
C39 C40 C41 120.3(3) . . ?
C39 C40 H40A 119.8 . . ?
C41 C40 H40A 119.8 . . ?
C40 C41 C42 118.1(3) . . ?
C40 C41 C49 120.3(3) . . ?
C42 C41 C49 121.6(3) . . ?
C43 C42 C41 122.7(3) . . ?
C43 C42 H42A 118.6 . . ?
C41 C42 H42A 118.6 . . ?
C44 C43 C42 117.9(3) . . ?
C44 C43 H43A 121.0 . . ?
C42 C43 H43A 121.0 . . ?
C43 C44 N2 129.8(3) . . ?
C43 C44 C39 121.4(3) . . ?
N2 C44 C39 108.8(3) . . ?
C48 C45 C36 109.0(3) . . ?
C48 C45 C46 108.4(3) . . ?
C36 C45 C46 112.6(3) . . ?
C48 C45 C47 109.4(3) . . ?
C36 C45 C47 109.3(3) . . ?
C46 C45 C47 108.1(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C52 C49 C50 111.3(4) . . ?
C52 C49 C41 110.4(3) . . ?
C50 C49 C41 112.8(3) . . ?
C52 C49 C51 107.9(4) . . ?
C50 C49 C51 105.6(4) . . ?
C41 C49 C51 108.7(3) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50D 109.5 . . ?
H50A C50 H50D 109.5 . . ?
H50B C50 H50D 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51D 109.5 . . ?
H51A C51 H51D 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51D C51 H51B 109.5 . . ?
C49 C52 H52D 109.5 . . ?
C49 C52 H52A 109.5 . . ?
H52D C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52D C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Pt O1 C23 -4.4(3) . . . . ?
N1 Pt O1 C23 171.2(3) . . . . ?
C1 Pt O2 C25 -169.3(3) . . . . ?
N1 Pt O2 C25 -145.9(5) . . . . ?
O1 Pt O2 C25 9.0(3) . . . . ?
C1 Pt N1 C7 15.6(2) . . . . ?
O2 Pt N1 C7 -8.2(6) . . . . ?
O1 Pt N1 C7 -162.6(2) . . . . ?
C1 Pt N1 C15 -172.2(3) . . . . ?
O2 Pt N1 C15 164.0(5) . . . . ?
O1 Pt N1 C15 9.6(3) . . . . ?
O2 Pt C1 C6 164.0(2) . . . . ?
N1 Pt C1 C6 -11.8(2) . . . . ?
O2 Pt C1 C2 -16.6(3) . . . . ?
N1 Pt C1 C2 167.5(3) . . . . ?
C6 C1 C2 C3 0.0(5) . . . . ?
Pt C1 C2 C3 -179.3(3) . . . . ?
C1 C2 C3 C4 -1.7(5) . . . . ?
C2 C3 C4 C5 1.5(5) . . . . ?
C3 C4 C5 C6 0.3(5) . . . . ?
C4 C5 C6 C1 -1.9(5) . . . . ?
C4 C5 C6 C7 171.9(3) . . . . ?
C2 C1 C6 C5 1.8(5) . . . . ?
Pt C1 C6 C5 -178.8(2) . . . . ?
C2 C1 C6 C7 -172.7(3) . . . . ?
Pt C1 C6 C7 6.7(3) . . . . ?
C15 N1 C7 C8 -6.8(4) . . . . ?
Pt N1 C7 C8 166.2(2) . . . . ?
C15 N1 C7 C6 170.8(3) . . . . ?
Pt N1 C7 C6 -16.2(3) . . . . ?
C5 C6 C7 N1 -167.6(3) . . . . ?
C1 C6 C7 N1 6.6(4) . . . . ?
C5 C6 C7 C8 9.9(5) . . . . ?
C1 C6 C7 C8 -175.8(3) . . . . ?
N1 C7 C8 C9 1.0(5) . . . . ?
C6 C7 C8 C9 -176.4(3) . . . . ?
C7 C8 C9 C10 3.6(5) . . . . ?
C7 C8 C9 C16 -179.3(3) . . . . ?
C8 C9 C10 C15 -2.4(5) . . . . ?
C16 C9 C10 C15 -179.5(3) . . . . ?
C8 C9 C10 C11 177.5(3) . . . . ?
C16 C9 C10 C11 0.4(5) . . . . ?
C9 C10 C11 C12 -175.9(4) . . . . ?
C15 C10 C11 C12 4.0(5) . . . . ?
C10 C11 C12 C13 -0.2(6) . . . . ?
C11 C12 C13 C14 -1.7(7) . . . . ?
C12 C13 C14 C15 -0.3(6) . . . . ?
C7 N1 C15 C14 -169.5(3) . . . . ?
Pt N1 C15 C14 18.7(4) . . . . ?
C7 N1 C15 C10 7.9(4) . . . . ?
Pt N1 C15 C10 -163.9(2) . . . . ?
C13 C14 C15 N1 -178.5(3) . . . . ?
C13 C14 C15 C10 4.0(5) . . . . ?
C9 C10 C15 N1 -3.3(5) . . . . ?
C11 C10 C15 N1 176.8(3) . . . . ?
C9 C10 C15 C14 174.1(3) . . . . ?
C11 C10 C15 C14 -5.8(5) . . . . ?
C8 C9 C16 C21 63.9(4) . . . . ?
C10 C9 C16 C21 -119.2(4) . . . . ?
C8 C9 C16 C17 -114.6(4) . . . . ?
C10 C9 C16 C17 62.4(5) . . . . ?
C21 C16 C17 C18 0.8(6) . . . . ?
C9 C16 C17 C18 179.3(4) . . . . ?
C16 C17 C18 C19 0.8(6) . . . . ?
C17 C18 C19 C20 -2.3(6) . . . . ?
C17 C18 C19 N2 177.2(3) . . . . ?
C33 N2 C19 C18 49.2(5) . . . . ?
C44 N2 C19 C18 -121.8(4) . . . . ?
C33 N2 C19 C20 -131.3(4) . . . . ?
C44 N2 C19 C20 57.7(5) . . . . ?
C18 C19 C20 C21 2.2(5) . . . . ?
N2 C19 C20 C21 -177.3(3) . . . . ?
C19 C20 C21 C16 -0.5(5) . . . . ?
C17 C16 C21 C20 -1.0(5) . . . . ?
C9 C16 C21 C20 -179.4(3) . . . . ?
Pt O1 C23 C24 0.0(5) . . . . ?
Pt O1 C23 C22 -179.4(2) . . . . ?
C32 C22 C23 O1 -124.1(4) . . . . ?
C31 C22 C23 O1 -1.9(5) . . . . ?
C30 C22 C23 O1 115.1(4) . . . . ?
C32 C22 C23 C24 56.5(5) . . . . ?
C31 C22 C23 C24 178.7(4) . . . . ?
C30 C22 C23 C24 -64.3(4) . . . . ?
O1 C23 C24 C25 2.8(6) . . . . ?
C22 C23 C24 C25 -177.8(3) . . . . ?
Pt O2 C25 C24 -9.5(5) . . . . ?
Pt O2 C25 C26 169.8(2) . . . . ?
C23 C24 C25 O2 2.2(6) . . . . ?
C23 C24 C25 C26 -177.1(3) . . . . ?
O2 C25 C26 C29 -61.0(5) . . . . ?
C24 C25 C26 C29 118.3(5) . . . . ?
O2 C25 C26 C28' 134.7(9) . . . . ?
C24 C25 C26 C28' -45.9(10) . . . . ?
O2 C25 C26 C27 59.8(5) . . . . ?
C24 C25 C26 C27 -120.8(5) . . . . ?
O2 C25 C26 C28 177.5(4) . . . . ?
C24 C25 C26 C28 -3.1(6) . . . . ?
O2 C25 C26 C29' -104.0(8) . . . . ?
C24 C25 C26 C29' 75.4(9) . . . . ?
O2 C25 C26 C27' 10.1(8) . . . . ?
C24 C25 C26 C27' -170.6(8) . . . . ?
C44 N2 C33 C34 -179.9(4) . . . . ?
C19 N2 C33 C34 8.0(6) . . . . ?
C44 N2 C33 C38 -1.6(4) . . . . ?
C19 N2 C33 C38 -173.7(3) . . . . ?
N2 C33 C34 C35 177.7(4) . . . . ?
C38 C33 C34 C35 -0.5(6) . . . . ?
C33 C34 C35 C36 -0.4(6) . . . . ?
C34 C35 C36 C37 1.0(6) . . . . ?
C34 C35 C36 C45 -179.4(3) . . . . ?
C35 C36 C37 C38 -0.8(5) . . . . ?
C45 C36 C37 C38 179.6(3) . . . . ?
C36 C37 C38 C33 0.0(5) . . . . ?
C36 C37 C38 C39 -178.8(3) . . . . ?
C34 C33 C38 C37 0.7(5) . . . . ?
N2 C33 C38 C37 -177.8(3) . . . . ?
C34 C33 C38 C39 179.8(3) . . . . ?
N2 C33 C38 C39 1.2(4) . . . . ?
C37 C38 C39 C40 -3.1(6) . . . . ?
C33 C38 C39 C40 178.0(4) . . . . ?
C37 C38 C39 C44 178.5(3) . . . . ?
C33 C38 C39 C44 -0.4(4) . . . . ?
C44 C39 C40 C41 0.1(5) . . . . ?
C38 C39 C40 C41 -178.1(3) . . . . ?
C39 C40 C41 C42 0.9(5) . . . . ?
C39 C40 C41 C49 -179.2(3) . . . . ?
C40 C41 C42 C43 -1.1(5) . . . . ?
C49 C41 C42 C43 178.9(3) . . . . ?
C41 C42 C43 C44 0.4(5) . . . . ?
C42 C43 C44 N2 178.6(3) . . . . ?
C42 C43 C44 C39 0.5(5) . . . . ?
C33 N2 C44 C43 -176.9(3) . . . . ?
C19 N2 C44 C43 -4.5(6) . . . . ?
C33 N2 C44 C39 1.4(4) . . . . ?
C19 N2 C44 C39 173.8(3) . . . . ?
C40 C39 C44 C43 -0.8(5) . . . . ?
C38 C39 C44 C43 177.9(3) . . . . ?
C40 C39 C44 N2 -179.2(3) . . . . ?
C38 C39 C44 N2 -0.6(4) . . . . ?
C37 C36 C45 C48 -57.7(4) . . . . ?
C35 C36 C45 C48 122.8(4) . . . . ?
C37 C36 C45 C46 -178.1(3) . . . . ?
C35 C36 C45 C46 2.4(5) . . . . ?
C37 C36 C45 C47 61.8(4) . . . . ?
C35 C36 C45 C47 -117.7(4) . . . . ?
C40 C41 C49 C52 56.8(5) . . . . ?
C42 C41 C49 C52 -123.2(4) . . . . ?
C40 C41 C49 C50 -178.0(3) . . . . ?
C42 C41 C49 C50 1.9(5) . . . . ?
C40 C41 C49 C51 -61.3(5) . . . . ?
C42 C41 C49 C51 118.7(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.50
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         1.083
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.084
