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

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

data_0517-ypf-111_sq_d
_database_code_depnum_ccdc_archive 'CCDC 1446508'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2017-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H Cl N O4 Pt'
_chemical_formula_weight         825.99

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   22.2262(3)
_cell_length_b                   7.12696(11)
_cell_length_c                   24.1653(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.3801(16)
_cell_angle_gamma                90
_cell_volume                     3776.74(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.453
_exptl_crystal_F_000             1572
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.826
_shelx_estimated_absorpt_T_min   0.303
_shelx_estimated_absorpt_T_max   0.657
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7698
_diffrn_reflns_av_unetI/netI     0.0396
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_theta_min         3.330
_diffrn_reflns_theta_max         26.370
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7698
_reflns_number_gt                6019
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0427P)²+1.3574P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7698
_refine_ls_number_parameters     451
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0889
_refine_ls_wR_factor_gt          0.0827
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.80696(2) 0.28204(3) 0.13393(2) 0.04239(8) Uani 1 1 d . . . . .
O1 O 0.78906(14) 0.2798(4) 0.04967(14) 0.0500(8) Uani 1 1 d . . . . .
O2 O 0.89970(15) 0.2537(4) 0.13207(15) 0.0543(9) Uani 1 1 d . . . . .
Cl3 Cl 0.8382(3) 0.7612(5) 0.0558(2) 0.272(3) Uani 1 1 d . . . . .
Cl4 Cl 0.7064(3) 0.7753(5) 0.0140(2) 0.245(2) Uani 1 1 d . . . . .
N1 N 0.81867(16) 0.2871(4) 0.21692(15) 0.0376(8) Uani 1 1 d . . . . .
N2 N 0.9918(2) 0.2928(6) 0.3105(2) 0.0755(14) Uani 1 1 d . . . . .
C2 C 1.0488(3) 0.3028(9) 0.3415(4) 0.093(2) Uani 1 1 d . . . . .
H2 H 1.0822 0.2878 0.3232 0.111 Uiso 1 1 calc R U . . .
C3 C 1.0593(3) 0.3331(10) 0.3971(4) 0.094(2) Uani 1 1 d . . . . .
H3 H 1.0989 0.3373 0.4167 0.113 Uiso 1 1 calc R U . . .
C4 C 1.0113(3) 0.3573(9) 0.4238(3) 0.0846(19) Uani 1 1 d . . . . .
H4 H 1.0178 0.3814 0.4621 0.102 Uiso 1 1 calc R U . . .
C5 C 0.9531(2) 0.3470(7) 0.3953(2) 0.0570(12) Uani 1 1 d . . . . .
H5 H 0.9198 0.3603 0.4138 0.068 Uiso 1 1 calc R U . . .
C6 C 0.9455(2) 0.3167(6) 0.3393(2) 0.0453(11) Uani 1 1 d . . . . .
C7 C 0.88294(19) 0.3134(5) 0.30649(19) 0.0403(10) Uani 1 1 d . . . . .
C8 C 0.87392(19) 0.2843(6) 0.2489(2) 0.0435(10) Uani 1 1 d . . . . .
H8 H 0.9078 0.2620 0.2317 0.052 Uiso 1 1 calc R U . . .
C9 C 0.76707(19) 0.3152(5) 0.24079(18) 0.0379(10) Uani 1 1 d . . . . .
C10 C 0.77452(19) 0.3534(6) 0.29719(18) 0.0463(10) Uani 1 1 d . . . . .
H10 H 0.7405 0.3799 0.3137 0.056 Uiso 1 1 calc R U . . .
C11 C 0.8319(2) 0.3531(6) 0.32996(19) 0.0488(11) Uani 1 1 d . . . . .
H11 H 0.8360 0.3799 0.3680 0.059 Uiso 1 1 calc R U . . .
C12 C 0.71077(18) 0.3113(5) 0.19927(18) 0.0369(9) Uani 1 1 d . . . . .
C13 C 0.7212(2) 0.3117(5) 0.14288(18) 0.0400(10) Uani 1 1 d . . . . .
C14 C 0.67164(19) 0.3262(6) 0.09991(18) 0.0450(11) Uani 1 1 d . . . . .
H14 H 0.6784 0.3292 0.0629 0.054 Uiso 1 1 calc R U . . .
C15 C 0.6120(2) 0.3364(6) 0.11087(17) 0.0410(10) Uani 1 1 d . . . . .
C16 C 0.5608(2) 0.3541(7) 0.06702(18) 0.0505(11) Uani 1 1 d . . . . .
H16 H 0.5675 0.3679 0.0302 0.061 Uiso 1 1 calc R U . . .
C17 C 0.5031(2) 0.3515(7) 0.0774(2) 0.0509(11) Uani 1 1 d . . . . .
H17 H 0.4710 0.3666 0.0478 0.061 Uiso 1 1 calc R U . . .
C18 C 0.49010(19) 0.3260(6) 0.13262(19) 0.0441(10) Uani 1 1 d . . . . .
C19 C 0.4305(2) 0.3164(6) 0.1447(2) 0.0494(12) Uani 1 1 d . . . . .
H19 H 0.3980 0.3288 0.1153 0.059 Uiso 1 1 calc R U . . .
C20 C 0.4181(2) 0.2895(6) 0.1981(2) 0.0478(11) Uani 1 1 d . . . . .
C21 C 0.3521(2) 0.2798(8) 0.2102(3) 0.0633(14) Uani 1 1 d . . . . .
C22 C 0.3091(3) 0.2197(16) 0.1610(5) 0.183(6) Uani 1 1 d . . . . .
H22A H 0.3019 0.3213 0.1347 0.274 Uiso 1 1 calc R U . . .
H22B H 0.2713 0.1835 0.1724 0.274 Uiso 1 1 calc R U . . .
H22C H 0.3258 0.1148 0.1437 0.274 Uiso 1 1 calc R U . . .
C23 C 0.3334(4) 0.4687(15) 0.2247(5) 0.229(7) Uani 1 1 d . . . . .
H23A H 0.3624 0.5175 0.2551 0.344 Uiso 1 1 calc R U . . .
H23B H 0.2939 0.4626 0.2358 0.344 Uiso 1 1 calc R U . . .
H23C H 0.3316 0.5495 0.1927 0.344 Uiso 1 1 calc R U . . .
C24 C 0.3467(3) 0.160(2) 0.2565(5) 0.252(9) Uani 1 1 d . . . . .
H24A H 0.3793 0.1850 0.2867 0.378 Uiso 1 1 calc R U . . .
H24B H 0.3488 0.0310 0.2451 0.378 Uiso 1 1 calc R U . . .
H24C H 0.3083 0.1819 0.2686 0.378 Uiso 1 1 calc R U . . .
C25 C 0.4667(2) 0.2720(6) 0.2415(2) 0.0480(11) Uani 1 1 d . . . . .
H25 H 0.4590 0.2539 0.2779 0.058 Uiso 1 1 calc R U . . .
C26 C 0.5270(2) 0.2809(5) 0.23199(19) 0.0411(10) Uani 1 1 d . . . . .
C27 C 0.5778(2) 0.2557(6) 0.2760(2) 0.0473(11) Uani 1 1 d . . . . .
H27 H 0.5705 0.2336 0.3122 0.057 Uiso 1 1 calc R U . . .
C28 C 0.6358(2) 0.2629(6) 0.2665(2) 0.0431(10) Uani 1 1 d . . . . .
H28 H 0.6673 0.2415 0.2963 0.052 Uiso 1 1 calc R U . . .
C29 C 0.65062(18) 0.3022(5) 0.21248(18) 0.0363(9) Uani 1 1 d . . . . .
C30 C 0.60079(18) 0.3180(5) 0.16663(18) 0.0371(9) Uani 1 1 d . . . . .
C31 C 0.53963(19) 0.3101(5) 0.17750(19) 0.0387(10) Uani 1 1 d . . . . .
C32 C 1.0168(3) 0.3972(18) 0.1369(5) 0.220(7) Uani 1 1 d . . . . .
H32A H 1.0077 0.3747 0.1738 0.331 Uiso 1 1 calc R U . . .
H32B H 0.9979 0.5122 0.1225 0.331 Uiso 1 1 calc R U . . .
H32C H 1.0601 0.4065 0.1386 0.331 Uiso 1 1 calc R U . . .
C33 C 1.0098(3) 0.0562(15) 0.1263(4) 0.196(6) Uani 1 1 d . . . . .
H33A H 1.0530 0.0375 0.1292 0.294 Uiso 1 1 calc R U . . .
H33B H 0.9886 -0.0422 0.1040 0.294 Uiso 1 1 calc R U . . .
H33C H 0.9988 0.0545 0.1631 0.294 Uiso 1 1 calc R U . . .
C34 C 1.0232(3) 0.2517(8) 0.0473(3) 0.0802(19) Uani 1 1 d . . . . .
H34A H 1.0147 0.3717 0.0297 0.120 Uiso 1 1 calc R U . . .
H34B H 1.0075 0.1543 0.0215 0.120 Uiso 1 1 calc R U . . .
H34C H 1.0665 0.2365 0.0577 0.120 Uiso 1 1 calc R U . . .
C35 C 0.9930(2) 0.2398(8) 0.0994(2) 0.0630(15) Uani 1 1 d . . . . .
C36 C 0.9237(2) 0.2508(6) 0.0878(2) 0.0487(12) Uani 1 1 d . . . . .
C37 C 0.8918(2) 0.2565(7) 0.0328(2) 0.0562(13) Uani 1 1 d . . . . .
H37 H 0.9151 0.2525 0.0041 0.067 Uiso 1 1 calc R U . . .
C38 C 0.8281(2) 0.2676(6) 0.0166(2) 0.0470(11) Uani 1 1 d . . . . .
C39 C 0.8018(2) 0.2659(7) -0.0455(2) 0.0563(13) Uani 1 1 d . . . . .
C40 C 0.8227(3) 0.0848(11) -0.0727(3) 0.101(2) Uani 1 1 d . . . . .
H40A H 0.8662 0.0878 -0.0712 0.152 Uiso 1 1 calc R U . . .
H40B H 0.8031 0.0777 -0.1111 0.152 Uiso 1 1 calc R U . . .
H40C H 0.8118 -0.0229 -0.0527 0.152 Uiso 1 1 calc R U . . .
C41 C 0.8241(3) 0.4404(10) -0.0734(2) 0.098(2) Uani 1 1 d . . . . .
H41A H 0.8129 0.5511 -0.0548 0.146 Uiso 1 1 calc R U . . .
H41B H 0.8057 0.4439 -0.1122 0.146 Uiso 1 1 calc R U . . .
H41C H 0.8677 0.4355 -0.0706 0.146 Uiso 1 1 calc R U . . .
C42 C 0.7329(2) 0.2651(8) -0.0548(2) 0.0740(17) Uani 1 1 d . . . . .
H42A H 0.7188 0.1550 -0.0379 0.111 Uiso 1 1 calc R U . . .
H42B H 0.7176 0.2647 -0.0943 0.111 Uiso 1 1 calc R U . . .
H42C H 0.7185 0.3749 -0.0380 0.111 Uiso 1 1 calc R U . . .
C43 C 0.7653(7) 0.7757(14) 0.0700(5) 0.161(5) Uani 1 1 d . . . . .
H43A H 0.7622 0.8898 0.0912 0.193 Uiso 1 1 calc R U . . .
H43B H 0.7591 0.6713 0.0942 0.193 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C13 1.964(4) . ?
Pt1 N1 1.980(4) . ?
Pt1 O1 2.010(3) . ?
Pt1 O2 2.079(3) . ?
O1 C38 1.274(5) . ?
O2 C36 1.270(6) . ?
Cl3 C43 1.714(12) . ?
Cl4 C43 1.723(13) . ?
N1 C8 1.340(5) . ?
N1 C9 1.380(5) . ?
N2 C6 1.344(7) . ?
N2 C2 1.366(8) . ?
C2 C3 1.342(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.345(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.364(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.354(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.485(6) . ?
C7 C11 1.377(6) . ?
C7 C8 1.389(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(6) . ?
C9 C12 1.471(6) . ?
C10 C11 1.388(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.419(6) . ?
C12 C29 1.426(6) . ?
C13 C14 1.389(6) . ?
C14 C15 1.395(6) . ?
C14 H14 0.9300 . ?
C15 C30 1.416(6) . ?
C15 C16 1.429(6) . ?
C16 C17 1.346(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.423(6) . ?
C17 H17 0.9300 . ?
C18 C19 1.404(6) . ?
C18 C31 1.418(6) . ?
C19 C20 1.377(6) . ?
C19 H19 0.9300 . ?
C20 C25 1.382(6) . ?
C20 C21 1.543(6) . ?
C21 C24 1.430(10) . ?
C21 C22 1.463(10) . ?
C21 C23 1.469(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.399(6) . ?
C25 H25 0.9300 . ?
C26 C31 1.406(6) . ?
C26 C27 1.430(6) . ?
C27 C28 1.347(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.426(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.438(5) . ?
C30 C31 1.427(6) . ?
C32 C35 1.484(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C35 1.481(9) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.523(8) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.522(7) . ?
C36 C37 1.402(7) . ?
C37 C38 1.410(7) . ?
C37 H37 0.9300 . ?
C38 C39 1.519(7) . ?
C39 C42 1.512(7) . ?
C39 C41 1.535(8) . ?
C39 C40 1.554(8) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?

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
C13 Pt1 N1 81.73(16) . . ?
C13 Pt1 O1 94.41(15) . . ?
N1 Pt1 O1 176.14(12) . . ?
C13 Pt1 O2 174.94(15) . . ?
N1 Pt1 O2 93.24(14) . . ?
O1 Pt1 O2 90.61(13) . . ?
C38 O1 Pt1 126.4(3) . . ?
C36 O2 Pt1 125.0(3) . . ?
C8 N1 C9 120.5(4) . . ?
C8 N1 Pt1 122.7(3) . . ?
C9 N1 Pt1 116.4(3) . . ?
C6 N2 C2 115.4(6) . . ?
C3 C2 N2 123.5(7) . . ?
C3 C2 H2 118.3 . . ?
N2 C2 H2 118.3 . . ?
C2 C3 C4 118.7(6) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C3 C4 C5 120.8(6) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 117.8(5) . . ?
C6 C5 H5 121.1 . . ?
C4 C5 H5 121.1 . . ?
N2 C6 C5 123.9(5) . . ?
N2 C6 C7 116.7(5) . . ?
C5 C6 C7 119.4(4) . . ?
C11 C7 C8 116.7(4) . . ?
C11 C7 C6 122.6(4) . . ?
C8 C7 C6 120.5(4) . . ?
N1 C8 C7 123.0(4) . . ?
N1 C8 H8 118.5 . . ?
C7 C8 H8 118.5 . . ?
C10 C9 N1 118.0(4) . . ?
C10 C9 C12 129.2(4) . . ?
N1 C9 C12 112.6(4) . . ?
C9 C10 C11 121.1(4) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C7 C11 C10 120.5(4) . . ?
C7 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C13 C12 C29 121.4(4) . . ?
C13 C12 C9 113.6(4) . . ?
C29 C12 C9 124.9(4) . . ?
C14 C13 C12 119.0(4) . . ?
C14 C13 Pt1 126.2(3) . . ?
C12 C13 Pt1 114.8(3) . . ?
C13 C14 C15 121.6(4) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
C14 C15 C30 119.7(4) . . ?
C14 C15 C16 122.1(4) . . ?
C30 C15 C16 118.1(4) . . ?
C17 C16 C15 122.0(4) . . ?
C17 C16 H16 119.0 . . ?
C15 C16 H16 119.0 . . ?
C16 C17 C18 121.4(4) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C19 C18 C31 118.6(4) . . ?
C19 C18 C17 122.9(4) . . ?
C31 C18 C17 118.5(4) . . ?
C20 C19 C18 122.7(4) . . ?
C20 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
C19 C20 C25 118.4(4) . . ?
C19 C20 C21 121.6(4) . . ?
C25 C20 C21 120.1(5) . . ?
C24 C21 C22 109.4(8) . . ?
C24 C21 C23 107.4(9) . . ?
C22 C21 C23 106.8(7) . . ?
C24 C21 C20 112.2(5) . . ?
C22 C21 C20 112.1(6) . . ?
C23 C21 C20 108.6(5) . . ?
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 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 C26 121.4(5) . . ?
C20 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C31 120.3(4) . . ?
C25 C26 C27 122.2(4) . . ?
C31 C26 C27 117.5(4) . . ?
C28 C27 C26 122.0(4) . . ?
C28 C27 H27 119.0 . . ?
C26 C27 H27 119.0 . . ?
C27 C28 C29 122.2(4) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
C12 C29 C28 125.4(4) . . ?
C12 C29 C30 117.2(4) . . ?
C28 C29 C30 117.2(4) . . ?
C15 C30 C31 120.0(4) . . ?
C15 C30 C29 120.5(4) . . ?
C31 C30 C29 119.5(4) . . ?
C26 C31 C18 118.7(4) . . ?
C26 C31 C30 121.3(4) . . ?
C18 C31 C30 120.0(4) . . ?
C35 C32 H32A 109.5 . . ?
C35 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C35 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 H33A 109.5 . . ?
C35 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C35 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 H34A 109.5 . . ?
C35 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C35 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 C32 111.1(9) . . ?
C33 C35 C36 107.6(5) . . ?
C32 C35 C36 108.8(5) . . ?
C33 C35 C34 107.3(6) . . ?
C32 C35 C34 107.6(6) . . ?
C36 C35 C34 114.5(5) . . ?
O2 C36 C37 125.6(4) . . ?
O2 C36 C35 113.4(4) . . ?
C37 C36 C35 121.0(5) . . ?
C36 C37 C38 126.5(5) . . ?
C36 C37 H37 116.8 . . ?
C38 C37 H37 116.8 . . ?
O1 C38 C37 125.9(5) . . ?
O1 C38 C39 115.5(4) . . ?
C37 C38 C39 118.7(4) . . ?
C42 C39 C38 111.3(4) . . ?
C42 C39 C41 109.3(5) . . ?
C38 C39 C41 109.2(4) . . ?
C42 C39 C40 107.4(4) . . ?
C38 C39 C40 109.4(4) . . ?
C41 C39 C40 110.3(6) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C39 C42 H42A 109.5 . . ?
C39 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C39 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Cl3 C43 Cl4 117.7(7) . . ?
Cl3 C43 H43A 107.9 . . ?
Cl4 C43 H43A 107.9 . . ?
Cl3 C43 H43B 107.9 . . ?
Cl4 C43 H43B 107.9 . . ?
H43A C43 H43B 107.2 . . ?

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 N2 C2 C3 0.4(9) . . . . ?
N2 C2 C3 C4 -0.8(11) . . . . ?
C2 C3 C4 C5 1.5(10) . . . . ?
C3 C4 C5 C6 -1.7(9) . . . . ?
C2 N2 C6 C5 -0.6(7) . . . . ?
C2 N2 C6 C7 177.9(4) . . . . ?
C4 C5 C6 N2 1.3(7) . . . . ?
C4 C5 C6 C7 -177.2(5) . . . . ?
N2 C6 C7 C11 -173.9(4) . . . . ?
C5 C6 C7 C11 4.7(6) . . . . ?
N2 C6 C7 C8 0.8(6) . . . . ?
C5 C6 C7 C8 179.4(4) . . . . ?
C9 N1 C8 C7 -1.6(6) . . . . ?
Pt1 N1 C8 C7 171.0(3) . . . . ?
C11 C7 C8 N1 -2.4(6) . . . . ?
C6 C7 C8 N1 -177.4(4) . . . . ?
C8 N1 C9 C10 4.6(6) . . . . ?
Pt1 N1 C9 C10 -168.4(3) . . . . ?
C8 N1 C9 C12 -179.3(3) . . . . ?
Pt1 N1 C9 C12 7.7(4) . . . . ?
N1 C9 C10 C11 -3.6(6) . . . . ?
C12 C9 C10 C11 -179.0(4) . . . . ?
C8 C7 C11 C10 3.3(6) . . . . ?
C6 C7 C11 C10 178.2(4) . . . . ?
C9 C10 C11 C7 -0.3(7) . . . . ?
C10 C9 C12 C13 165.5(4) . . . . ?
N1 C9 C12 C13 -10.1(5) . . . . ?
C10 C9 C12 C29 -16.3(7) . . . . ?
N1 C9 C12 C29 168.1(3) . . . . ?
C29 C12 C13 C14 7.8(6) . . . . ?
C9 C12 C13 C14 -174.0(4) . . . . ?
C29 C12 C13 Pt1 -170.2(3) . . . . ?
C9 C12 C13 Pt1 8.1(4) . . . . ?
C12 C13 C14 C15 -1.4(6) . . . . ?
Pt1 C13 C14 C15 176.3(3) . . . . ?
C13 C14 C15 C30 -4.7(6) . . . . ?
C13 C14 C15 C16 179.1(4) . . . . ?
C14 C15 C16 C17 175.5(5) . . . . ?
C30 C15 C16 C17 -0.8(7) . . . . ?
C15 C16 C17 C18 -1.6(8) . . . . ?
C16 C17 C18 C19 -177.9(5) . . . . ?
C16 C17 C18 C31 2.3(7) . . . . ?
C31 C18 C19 C20 -1.0(7) . . . . ?
C17 C18 C19 C20 179.2(4) . . . . ?
C18 C19 C20 C25 0.3(7) . . . . ?
C18 C19 C20 C21 179.9(4) . . . . ?
C19 C20 C21 C24 148.8(9) . . . . ?
C25 C20 C21 C24 -31.5(10) . . . . ?
C19 C20 C21 C22 25.2(8) . . . . ?
C25 C20 C21 C22 -155.2(6) . . . . ?
C19 C20 C21 C23 -92.6(8) . . . . ?
C25 C20 C21 C23 87.1(8) . . . . ?
C19 C20 C25 C26 -0.1(7) . . . . ?
C21 C20 C25 C26 -179.8(4) . . . . ?
C20 C25 C26 C31 0.6(6) . . . . ?
C20 C25 C26 C27 -177.5(4) . . . . ?
C25 C26 C27 C28 179.5(4) . . . . ?
C31 C26 C27 C28 1.3(6) . . . . ?
C26 C27 C28 C29 2.1(7) . . . . ?
C13 C12 C29 C28 166.5(4) . . . . ?
C9 C12 C29 C28 -11.6(6) . . . . ?
C13 C12 C29 C30 -7.8(5) . . . . ?
C9 C12 C29 C30 174.1(3) . . . . ?
C27 C28 C29 C12 -179.7(4) . . . . ?
C27 C28 C29 C30 -5.4(6) . . . . ?
C14 C15 C30 C31 -173.9(4) . . . . ?
C16 C15 C30 C31 2.5(6) . . . . ?
C14 C15 C30 C29 4.4(6) . . . . ?
C16 C15 C30 C29 -179.1(4) . . . . ?
C12 C29 C30 C15 1.7(5) . . . . ?
C28 C29 C30 C15 -173.1(4) . . . . ?
C12 C29 C30 C31 -179.9(3) . . . . ?
C28 C29 C30 C31 5.3(5) . . . . ?
C25 C26 C31 C18 -1.3(6) . . . . ?
C27 C26 C31 C18 176.8(4) . . . . ?
C25 C26 C31 C30 -179.4(4) . . . . ?
C27 C26 C31 C30 -1.2(6) . . . . ?
C19 C18 C31 C26 1.5(6) . . . . ?
C17 C18 C31 C26 -178.7(4) . . . . ?
C19 C18 C31 C30 179.6(4) . . . . ?
C17 C18 C31 C30 -0.6(6) . . . . ?
C15 C30 C31 C26 176.3(4) . . . . ?
C29 C30 C31 C26 -2.1(6) . . . . ?
C15 C30 C31 C18 -1.8(6) . . . . ?
C29 C30 C31 C18 179.8(4) . . . . ?
Pt1 O2 C36 C37 -3.5(6) . . . . ?
Pt1 O2 C36 C35 176.7(3) . . . . ?
C33 C35 C36 O2 65.4(7) . . . . ?
C32 C35 C36 O2 -55.1(8) . . . . ?
C34 C35 C36 O2 -175.4(4) . . . . ?
C33 C35 C36 C37 -114.5(7) . . . . ?
C32 C35 C36 C37 125.1(8) . . . . ?
C34 C35 C36 C37 4.7(7) . . . . ?
O2 C36 C37 C38 0.5(8) . . . . ?
C35 C36 C37 C38 -179.7(4) . . . . ?
Pt1 O1 C38 C37 -1.2(6) . . . . ?
Pt1 O1 C38 C39 179.0(3) . . . . ?
C36 C37 C38 O1 2.2(8) . . . . ?
C36 C37 C38 C39 -178.1(4) . . . . ?
O1 C38 C39 C42 -4.2(6) . . . . ?
C37 C38 C39 C42 176.0(4) . . . . ?
O1 C38 C39 C41 116.5(5) . . . . ?
C37 C38 C39 C41 -63.3(6) . . . . ?
O1 C38 C39 C40 -122.7(5) . . . . ?
C37 C38 C39 C40 57.5(6) . . . . ?

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
C8 H8 O2 0.93 2.39 2.979(6) 121.4 .

_refine_diff_density_max         1.013
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.092

####################################################################### 
# 
# 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_0523-ypf-5
_database_code_depnum_ccdc_archive 'CCDC 1446509'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2017-11-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H0.12 N2 O4 Pt2'
_chemical_formula_weight         1106.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   31.0858(8)
_cell_length_b                   18.0296(3)
_cell_length_c                   21.7917(5)
_cell_angle_alpha                90
_cell_angle_beta                 129.261(2)
_cell_angle_gamma                90
_cell_volume                     9456.5(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_F_000             4112
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    5.953
_shelx_estimated_absorpt_T_min   0.194
_shelx_estimated_absorpt_T_max   0.535
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            38767
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.352
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9650
_reflns_number_gt                7312
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0416P)²+12.4890P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9650
_refine_ls_number_parameters     556
_refine_ls_number_restraints     54
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0376
_refine_ls_wR_factor_ref         0.0942
_refine_ls_wR_factor_gt          0.0837
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.092
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.01411(2) 0.11196(2) 0.39020(2) 0.04765(8) Uani 1 1 d . . . . .
Pt2 Pt -0.09906(2) 0.42890(2) 0.18889(2) 0.04998(9) Uani 1 1 d . . . . .
O1 O 0.05804(16) 0.0248(2) 0.4698(2) 0.0590(11) Uani 1 1 d . . . . .
O2 O -0.03951(16) 0.0415(2) 0.3040(2) 0.0574(11) Uani 1 1 d . . . . .
O3 O -0.04390(16) 0.4959(2) 0.2876(2) 0.0618(12) Uani 1 1 d . . . . .
O4 O -0.14568(16) 0.5186(2) 0.1278(2) 0.0621(11) Uani 1 1 d . . . . .
N1 N 0.06266(17) 0.1896(3) 0.4710(2) 0.0457(11) Uani 1 1 d . . . . .
N2 N -0.06163(17) 0.3345(2) 0.2425(3) 0.0455(11) Uani 1 1 d . . . . .
C1 C 0.1114(5) -0.0556(5) 0.6019(4) 0.135(4) Uani 1 1 d . . . . .
H1A H 0.1331 -0.0900 0.6450 0.202 Uiso 1 1 calc R U . . .
H1B H 0.0826 -0.0352 0.6012 0.202 Uiso 1 1 calc R U . . .
H1C H 0.1349 -0.0163 0.6085 0.202 Uiso 1 1 calc R U . . .
C2 C 0.1261(4) -0.1187(6) 0.5143(6) 0.137(4) Uani 1 1 d . . . . .
H2A H 0.1466 -0.0759 0.5194 0.205 Uiso 1 1 calc R U . . .
H2B H 0.1079 -0.1409 0.4632 0.205 Uiso 1 1 calc R U . . .
H2C H 0.1512 -0.1539 0.5550 0.205 Uiso 1 1 calc R U . . .
C3 C 0.0553(3) -0.1649(4) 0.5209(5) 0.098(3) Uani 1 1 d . . . . .
H3A H 0.0809 -0.1938 0.5678 0.148 Uiso 1 1 calc R U . . .
H3B H 0.0413 -0.1942 0.4749 0.148 Uiso 1 1 calc R U . . .
H3C H 0.0249 -0.1495 0.5192 0.148 Uiso 1 1 calc R U . . .
C4 C 0.0849(3) -0.0964(4) 0.5222(4) 0.0600(17) Uani 1 1 d . . . . .
C5 C 0.0440(2) -0.0422(3) 0.4547(3) 0.0549(15) Uani 1 1 d . . . . .
C6 C -0.0029(3) -0.0692(3) 0.3815(4) 0.0654(18) Uani 1 1 d . . . . .
H6 H -0.0098 -0.1198 0.3785 0.078 Uiso 1 1 calc R U . . .
C7 C -0.0403(2) -0.0283(3) 0.3127(3) 0.0546(15) Uani 1 1 d . . . . .
C8 C -0.0905(3) -0.0665(4) 0.2392(4) 0.075(2) Uani 1 1 d . . . . .
C9 C -0.1351(6) -0.0691(10) 0.2389(9) 0.244(7) Uani 1 1 d . U . . .
H9A H -0.1233 -0.0901 0.2879 0.367 Uiso 1 1 calc R U . . .
H9B H -0.1640 -0.0992 0.1955 0.367 Uiso 1 1 calc R U . . .
H9C H -0.1489 -0.0198 0.2333 0.367 Uiso 1 1 calc R U . . .
C10 C -0.0775(6) -0.1393(7) 0.2272(8) 0.250(8) Uani 1 1 d . U . . .
H10A H -0.0394 -0.1404 0.2483 0.375 Uiso 1 1 calc R U . . .
H10B H -0.1013 -0.1501 0.1715 0.375 Uiso 1 1 calc R U . . .
H10C H -0.0830 -0.1758 0.2537 0.375 Uiso 1 1 calc R U . . .
C11 C -0.1083(5) -0.0274(7) 0.1659(5) 0.177(6) Uani 1 1 d . U . . .
H11A H -0.1206 0.0217 0.1648 0.265 Uiso 1 1 calc R U . . .
H11B H -0.1382 -0.0544 0.1201 0.265 Uiso 1 1 calc R U . . .
H11C H -0.0775 -0.0246 0.1658 0.265 Uiso 1 1 calc R U . . .
C12 C 0.1043(2) 0.1748(4) 0.5487(3) 0.0560(15) Uani 1 1 d . . . . .
H12 H 0.1110 0.1261 0.5667 0.067 Uiso 1 1 calc R U . . .
C13 C 0.1366(2) 0.2307(4) 0.6011(3) 0.0624(17) Uani 1 1 d . . . . .
H13 H 0.1645 0.2200 0.6544 0.075 Uiso 1 1 calc R U . . .
C14 C 0.1276(2) 0.3025(4) 0.5749(3) 0.0634(17) Uani 1 1 d . . . . .
H14 H 0.1502 0.3405 0.6098 0.076 Uiso 1 1 calc R U . . .
C15 C 0.0848(2) 0.3178(3) 0.4960(3) 0.0563(16) Uani 1 1 d . . . . .
H15 H 0.0779 0.3663 0.4775 0.068 Uiso 1 1 calc R U . . .
C16 C 0.0523(2) 0.2606(3) 0.4451(3) 0.0448(13) Uani 1 1 d . . . . .
C17 C 0.0043(2) 0.2664(3) 0.3609(3) 0.0436(13) Uani 1 1 d . . . . .
C18 C -0.0217(2) 0.1992(3) 0.3221(3) 0.0415(12) Uani 1 1 d . . . . .
C19 C -0.0675(2) 0.2034(3) 0.2414(3) 0.0426(13) Uani 1 1 d . . . . .
H19 H -0.0855 0.1597 0.2141 0.051 Uiso 1 1 calc R U . . .
C20 C -0.0871(2) 0.2692(3) 0.2009(3) 0.0425(13) Uani 1 1 d . . . . .
C21 C -0.0170(2) 0.3319(3) 0.3199(3) 0.0480(14) Uani 1 1 d . . . . .
H21 H 0.0000 0.3761 0.3466 0.058 Uiso 1 1 calc R U . . .
C22 C -0.1346(2) 0.2847(3) 0.1157(3) 0.0439(13) Uani 1 1 d . . . . .
C23 C -0.1467(2) 0.3611(3) 0.1009(3) 0.0459(13) Uani 1 1 d . . . . .
C24 C -0.1905(2) 0.3837(3) 0.0240(3) 0.0561(15) Uani 1 1 d . . . . .
H24 H -0.1993 0.4338 0.0143 0.067 Uiso 1 1 calc R U . . .
C25 C -0.2210(2) 0.3348(3) -0.0381(3) 0.0505(14) Uani 1 1 d . . . . .
C26 C -0.2650(3) 0.3598(4) -0.1179(3) 0.0637(18) Uani 1 1 d . . . . .
H26 H -0.2744 0.4099 -0.1267 0.076 Uiso 1 1 calc R U . . .
C27 C -0.2923(3) 0.3132(4) -0.1790(4) 0.074(2) Uani 1 1 d . . . . .
H27 H -0.3204 0.3314 -0.2295 0.089 Uiso 1 1 calc R U . . .
C28 C -0.2796(2) 0.2366(4) -0.1688(3) 0.0584(16) Uani 1 1 d . . . . .
C29 C -0.2376(2) 0.2094(4) -0.0909(3) 0.0520(15) Uani 1 1 d . . . . .
C30 C -0.2079(2) 0.2585(3) -0.0248(3) 0.0462(13) Uani 1 1 d . . . . .
C31 C -0.1637(2) 0.2318(3) 0.0535(3) 0.0423(12) Uani 1 1 d . . . . .
C32 C -0.1516(2) 0.1546(3) 0.0600(3) 0.0528(15) Uani 1 1 d . . . . .
H32 H -0.1226 0.1353 0.1094 0.063 Uiso 1 1 calc R U . . .
C33 C -0.1805(3) 0.1083(3) -0.0031(3) 0.0627(17) Uani 1 1 d . . . . .
H33 H -0.1712 0.0582 0.0049 0.075 Uiso 1 1 calc R U . . .
C34 C -0.2245(2) 0.1332(3) -0.0812(3) 0.0537(15) Uani 1 1 d . . . . .
C35 C -0.2508(3) 0.0871(4) -0.1475(3) 0.0644(18) Uani 1 1 d . . . . .
H35 H -0.2412 0.0372 -0.1404 0.077 Uiso 1 1 calc R U . . .
C36 C -0.2905(3) 0.1135(5) -0.2230(4) 0.076(2) Uani 1 1 d . . . . .
C37 C -0.3042(3) 0.1878(5) -0.2323(4) 0.074(2) Uani 1 1 d . . . . .
H37 H -0.3311 0.2060 -0.2832 0.089 Uiso 1 1 calc R U . . .
C38 C -0.3164(4) 0.0642(5) -0.2975(4) 0.102(3) Uani 1 1 d . . . . .
C39 C -0.3054(6) -0.0151(7) -0.2751(6) 0.200(6) Uani 1 1 d . U . . .
H39A H -0.2693 -0.0279 -0.2579 0.300 Uiso 1 1 calc R U . . .
H39B H -0.3330 -0.0449 -0.3201 0.300 Uiso 1 1 calc R U . . .
H39C H -0.3067 -0.0238 -0.2329 0.300 Uiso 1 1 calc R U . . .
C40 C -0.2969(5) 0.0891(7) -0.3423(7) 0.156(5) Uani 1 1 d . U . . .
H40A H -0.3105 0.1382 -0.3625 0.234 Uiso 1 1 calc R U . . .
H40B H -0.3108 0.0557 -0.3855 0.234 Uiso 1 1 calc R U . . .
H40C H -0.2570 0.0892 -0.3073 0.234 Uiso 1 1 calc R U . . .
C41 C -0.3796(4) 0.0722(7) -0.3522(6) 0.155(5) Uani 1 1 d . U . . .
H41A H -0.3921 0.0671 -0.3219 0.233 Uiso 1 1 calc R U . . .
H41B H -0.3964 0.0345 -0.3923 0.233 Uiso 1 1 calc R U . . .
H41C H -0.3900 0.1202 -0.3769 0.233 Uiso 1 1 calc R U . . .
C42 C 0.0474(3) 0.5506(5) 0.4194(5) 0.112(3) Uani 1 1 d . . . . .
H42A H 0.0769 0.5755 0.4673 0.169 Uiso 1 1 calc R U . . .
H42B H 0.0594 0.5383 0.3894 0.169 Uiso 1 1 calc R U . . .
H42C H 0.0377 0.5060 0.4323 0.169 Uiso 1 1 calc R U . . .
C43 C -0.0231(4) 0.6196(8) 0.4137(6) 0.178(7) Uani 1 1 d . . . . .
H43A H -0.0292 0.5751 0.4314 0.267 Uiso 1 1 calc R U . . .
H43B H -0.0575 0.6463 0.3788 0.267 Uiso 1 1 calc R U . . .
H43C H 0.0037 0.6500 0.4586 0.267 Uiso 1 1 calc R U . . .
C44 C 0.0175(4) 0.6720(6) 0.3555(6) 0.140(4) Uani 1 1 d . . . . .
H44A H 0.0481 0.6935 0.4052 0.210 Uiso 1 1 calc R U . . .
H44B H -0.0125 0.7069 0.3265 0.210 Uiso 1 1 calc R U . . .
H44C H 0.0293 0.6597 0.3253 0.210 Uiso 1 1 calc R U . . .
C45 C -0.0022(3) 0.6003(4) 0.3712(4) 0.072(2) Uani 1 1 d . . . . .
C46 C -0.0488(2) 0.5649(3) 0.2913(4) 0.0566(16) Uani 1 1 d . . . . .
C47 C -0.0941(3) 0.6072(3) 0.2310(4) 0.071(2) Uani 1 1 d . . . . .
H47 H -0.0946 0.6567 0.2425 0.085 Uiso 1 1 calc R U . . .
C48 C -0.1384(3) 0.5829(3) 0.1559(4) 0.0642(18) Uani 1 1 d . . . . .
C49 C -0.1857(3) 0.6367(4) 0.0960(5) 0.079(2) Uani 1 1 d . . . . .
C50 C -0.2358(4) 0.6003(5) 0.0317(7) 0.185(6) Uani 1 1 d . U . . .
H50A H -0.2301 0.5777 -0.0026 0.278 Uiso 1 1 calc R U . . .
H50B H -0.2653 0.6359 0.0024 0.278 Uiso 1 1 calc R U . . .
H50C H -0.2454 0.5628 0.0524 0.278 Uiso 1 1 calc R U . . .
C51 C -0.2019(5) 0.6827(7) 0.1386(7) 0.186(6) Uani 1 1 d . U . . .
H51A H -0.2258 0.6537 0.1430 0.279 Uiso 1 1 calc R U . . .
H51B H -0.2211 0.7269 0.1087 0.279 Uiso 1 1 calc R U . . .
H51C H -0.1690 0.6961 0.1906 0.279 Uiso 1 1 calc R U . . .
C52 C -0.1648(4) 0.6928(6) 0.0714(7) 0.168(5) Uani 1 1 d . U . . .
H52A H -0.1275 0.7064 0.1160 0.252 Uiso 1 1 calc R U . . .
H52B H -0.1882 0.7359 0.0518 0.252 Uiso 1 1 calc R U . . .
H52C H -0.1650 0.6728 0.0304 0.252 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C18 1.956(5) . ?
Pt1 O2 1.990(4) . ?
Pt1 N1 1.993(4) . ?
Pt1 O1 2.085(4) . ?
Pt2 C23 1.941(5) . ?
Pt2 N2 1.973(4) . ?
Pt2 O4 2.012(4) . ?
Pt2 O3 2.087(4) . ?
O1 C5 1.254(7) . ?
O2 C7 1.274(7) . ?
O3 C46 1.262(7) . ?
O4 C48 1.263(7) . ?
N1 C16 1.354(7) . ?
N1 C12 1.356(6) . ?
N2 C21 1.345(6) . ?
N2 C20 1.387(7) . ?
C1 C4 1.556(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 C4 1.456(10) . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 C4 1.528(9) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C5 1.539(8) . ?
C5 C6 1.403(8) . ?
C6 C7 1.392(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.521(8) . ?
C8 C9 1.381(15) . ?
C8 C10 1.448(13) . ?
C8 C11 1.495(12) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 C13 1.370(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.380(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.378(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.462(7) . ?
C17 C21 1.371(7) . ?
C17 C18 1.404(7) . ?
C18 C19 1.399(7) . ?
C19 C20 1.371(7) . ?
C19 H19 0.9300 . ?
C20 C22 1.495(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.410(7) . ?
C22 C31 1.419(7) . ?
C23 C24 1.394(7) . ?
C24 C25 1.372(8) . ?
C24 H24 0.9300 . ?
C25 C30 1.412(8) . ?
C25 C26 1.444(7) . ?
C26 C27 1.330(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.415(9) . ?
C27 H27 0.9300 . ?
C28 C37 1.390(9) . ?
C28 C29 1.422(8) . ?
C29 C34 1.410(8) . ?
C29 C30 1.424(7) . ?
C30 C31 1.437(7) . ?
C31 C32 1.427(8) . ?
C32 C33 1.352(8) . ?
C32 H32 0.9300 . ?
C33 C34 1.423(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.397(8) . ?
C35 C36 1.374(9) . ?
C35 H35 0.9300 . ?
C36 C37 1.381(10) . ?
C36 C38 1.556(10) . ?
C37 H37 0.9300 . ?
C38 C39 1.478(14) . ?
C38 C40 1.507(13) . ?
C38 C41 1.527(13) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C45 1.495(10) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C45 1.470(11) . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C45 1.560(12) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 C46 1.532(9) . ?
C46 C47 1.397(8) . ?
C47 C48 1.384(9) . ?
C47 H47 0.9300 . ?
C48 C49 1.541(8) . ?
C49 C50 1.434(11) . ?
C49 C52 1.474(12) . ?
C49 C51 1.552(13) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 Pt1 O2 93.60(18) . . ?
C18 Pt1 N1 81.7(2) . . ?
O2 Pt1 N1 174.88(17) . . ?
C18 Pt1 O1 175.10(18) . . ?
O2 Pt1 O1 91.16(16) . . ?
N1 Pt1 O1 93.60(17) . . ?
C23 Pt2 N2 80.6(2) . . ?
C23 Pt2 O4 94.2(2) . . ?
N2 Pt2 O4 173.26(17) . . ?
C23 Pt2 O3 176.07(19) . . ?
N2 Pt2 O3 95.57(16) . . ?
O4 Pt2 O3 89.71(16) . . ?
C5 O1 Pt1 124.9(4) . . ?
C7 O2 Pt1 125.0(4) . . ?
C46 O3 Pt2 125.6(4) . . ?
C48 O4 Pt2 125.7(4) . . ?
C16 N1 C12 119.6(5) . . ?
C16 N1 Pt1 116.6(3) . . ?
C12 N1 Pt1 123.8(4) . . ?
C21 N2 C20 119.9(5) . . ?
C21 N2 Pt2 121.8(4) . . ?
C20 N2 Pt2 117.8(3) . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 C3 110.0(7) . . ?
C2 C4 C5 108.5(6) . . ?
C3 C4 C5 111.9(6) . . ?
C2 C4 C1 112.2(8) . . ?
C3 C4 C1 106.9(7) . . ?
C5 C4 C1 107.4(6) . . ?
O1 C5 C6 124.8(5) . . ?
O1 C5 C4 114.9(5) . . ?
C6 C5 C4 120.1(6) . . ?
C7 C6 C5 126.8(6) . . ?
C7 C6 H6 116.6 . . ?
C5 C6 H6 116.6 . . ?
O2 C7 C6 127.1(5) . . ?
O2 C7 C8 113.2(5) . . ?
C6 C7 C8 119.7(6) . . ?
C9 C8 C10 111.4(11) . . ?
C9 C8 C11 108.6(10) . . ?
C10 C8 C11 100.9(10) . . ?
C9 C8 C7 112.2(8) . . ?
C10 C8 C7 112.5(7) . . ?
C11 C8 C7 110.5(7) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C12 C13 120.9(6) . . ?
N1 C12 H12 119.6 . . ?
C13 C12 H12 119.6 . . ?
C12 C13 C14 119.9(5) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C15 119.3(6) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C16 C15 C14 119.4(6) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
N1 C16 C15 120.8(5) . . ?
N1 C16 C17 112.1(5) . . ?
C15 C16 C17 127.1(5) . . ?
C21 C17 C18 119.5(5) . . ?
C21 C17 C16 124.6(5) . . ?
C18 C17 C16 115.8(5) . . ?
C19 C18 C17 116.8(5) . . ?
C19 C18 Pt1 129.4(4) . . ?
C17 C18 Pt1 113.7(4) . . ?
C20 C19 C18 122.6(5) . . ?
C20 C19 H19 118.7 . . ?
C18 C19 H19 118.7 . . ?
C19 C20 N2 118.5(4) . . ?
C19 C20 C22 130.4(5) . . ?
N2 C20 C22 111.1(5) . . ?
N2 C21 C17 122.5(5) . . ?
N2 C21 H21 118.7 . . ?
C17 C21 H21 118.7 . . ?
C23 C22 C31 121.4(5) . . ?
C23 C22 C20 112.2(5) . . ?
C31 C22 C20 126.3(5) . . ?
C24 C23 C22 118.4(5) . . ?
C24 C23 Pt2 123.9(4) . . ?
C22 C23 Pt2 117.6(4) . . ?
C25 C24 C23 122.6(5) . . ?
C25 C24 H24 118.7 . . ?
C23 C24 H24 118.7 . . ?
C24 C25 C30 119.6(5) . . ?
C24 C25 C26 121.5(6) . . ?
C30 C25 C26 118.8(5) . . ?
C27 C26 C25 121.7(6) . . ?
C27 C26 H26 119.1 . . ?
C25 C26 H26 119.1 . . ?
C26 C27 C28 121.4(6) . . ?
C26 C27 H27 119.3 . . ?
C28 C27 H27 119.3 . . ?
C37 C28 C27 122.6(6) . . ?
C37 C28 C29 118.7(6) . . ?
C27 C28 C29 118.6(6) . . ?
C34 C29 C28 118.4(5) . . ?
C34 C29 C30 120.8(5) . . ?
C28 C29 C30 120.7(6) . . ?
C25 C30 C29 118.7(5) . . ?
C25 C30 C31 120.3(5) . . ?
C29 C30 C31 121.0(5) . . ?
C22 C31 C32 126.4(5) . . ?
C22 C31 C30 117.6(5) . . ?
C32 C31 C30 116.0(5) . . ?
C33 C32 C31 122.6(5) . . ?
C33 C32 H32 118.7 . . ?
C31 C32 H32 118.7 . . ?
C32 C33 C34 122.6(6) . . ?
C32 C33 H33 118.7 . . ?
C34 C33 H33 118.7 . . ?
C35 C34 C29 119.9(6) . . ?
C35 C34 C33 122.7(6) . . ?
C29 C34 C33 117.1(5) . . ?
C36 C35 C34 121.8(7) . . ?
C36 C35 H35 119.1 . . ?
C34 C35 H35 119.1 . . ?
C35 C36 C37 118.1(6) . . ?
C35 C36 C38 122.1(8) . . ?
C37 C36 C38 119.6(7) . . ?
C36 C37 C28 123.0(6) . . ?
C36 C37 H37 118.5 . . ?
C28 C37 H37 118.5 . . ?
C39 C38 C40 113.4(10) . . ?
C39 C38 C41 105.4(10) . . ?
C40 C38 C41 108.1(8) . . ?
C39 C38 C36 110.5(7) . . ?
C40 C38 C36 110.4(8) . . ?
C41 C38 C36 108.8(8) . . ?
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 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C45 C42 H42A 109.5 . . ?
C45 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C45 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C45 C43 H43A 109.5 . . ?
C45 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C45 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C45 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 C42 111.7(8) . . ?
C43 C45 C46 109.8(6) . . ?
C42 C45 C46 111.2(6) . . ?
C43 C45 C44 109.5(8) . . ?
C42 C45 C44 106.1(7) . . ?
C46 C45 C44 108.4(6) . . ?
O3 C46 C47 124.7(6) . . ?
O3 C46 C45 114.7(5) . . ?
C47 C46 C45 120.4(6) . . ?
C48 C47 C46 126.5(6) . . ?
C48 C47 H47 116.7 . . ?
C46 C47 H47 116.7 . . ?
O4 C48 C47 127.1(6) . . ?
O4 C48 C49 112.6(6) . . ?
C47 C48 C49 120.3(6) . . ?
C50 C49 C52 114.6(9) . . ?
C50 C49 C48 113.7(6) . . ?
C52 C49 C48 109.7(6) . . ?
C50 C49 C51 105.4(9) . . ?
C52 C49 C51 103.6(9) . . ?
C48 C49 C51 109.0(7) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 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
Pt1 O1 C5 C6 1.1(9) . . . . ?
Pt1 O1 C5 C4 177.3(4) . . . . ?
C2 C4 C5 O1 -88.5(8) . . . . ?
C3 C4 C5 O1 150.1(6) . . . . ?
C1 C4 C5 O1 33.0(9) . . . . ?
C2 C4 C5 C6 88.0(9) . . . . ?
C3 C4 C5 C6 -33.5(9) . . . . ?
C1 C4 C5 C6 -150.5(7) . . . . ?
O1 C5 C6 C7 3.1(12) . . . . ?
C4 C5 C6 C7 -173.0(7) . . . . ?
Pt1 O2 C7 C6 -3.9(10) . . . . ?
Pt1 O2 C7 C8 172.2(5) . . . . ?
C5 C6 C7 O2 -1.6(12) . . . . ?
C5 C6 C7 C8 -177.4(7) . . . . ?
O2 C7 C8 C9 -89.9(11) . . . . ?
C6 C7 C8 C9 86.5(12) . . . . ?
O2 C7 C8 C10 143.6(11) . . . . ?
C6 C7 C8 C10 -40.0(13) . . . . ?
O2 C7 C8 C11 31.6(11) . . . . ?
C6 C7 C8 C11 -152.0(9) . . . . ?
C16 N1 C12 C13 -0.9(9) . . . . ?
Pt1 N1 C12 C13 179.3(5) . . . . ?
N1 C12 C13 C14 -1.3(10) . . . . ?
C12 C13 C14 C15 2.1(10) . . . . ?
C13 C14 C15 C16 -0.8(10) . . . . ?
C12 N1 C16 C15 2.2(8) . . . . ?
Pt1 N1 C16 C15 -178.0(4) . . . . ?
C12 N1 C16 C17 -176.9(5) . . . . ?
Pt1 N1 C16 C17 2.9(6) . . . . ?
C14 C15 C16 N1 -1.3(9) . . . . ?
C14 C15 C16 C17 177.6(6) . . . . ?
N1 C16 C17 C21 177.0(5) . . . . ?
C15 C16 C17 C21 -2.0(10) . . . . ?
N1 C16 C17 C18 -1.0(7) . . . . ?
C15 C16 C17 C18 179.9(6) . . . . ?
C21 C17 C18 C19 2.3(8) . . . . ?
C16 C17 C18 C19 -179.5(5) . . . . ?
C21 C17 C18 Pt1 -179.5(4) . . . . ?
C16 C17 C18 Pt1 -1.3(6) . . . . ?
C17 C18 C19 C20 -0.2(8) . . . . ?
Pt1 C18 C19 C20 -178.1(4) . . . . ?
C18 C19 C20 N2 -2.6(8) . . . . ?
C18 C19 C20 C22 179.6(5) . . . . ?
C21 N2 C20 C19 3.5(8) . . . . ?
Pt2 N2 C20 C19 -168.1(4) . . . . ?
C21 N2 C20 C22 -178.3(5) . . . . ?
Pt2 N2 C20 C22 10.1(6) . . . . ?
C20 N2 C21 C17 -1.5(8) . . . . ?
Pt2 N2 C21 C17 169.7(4) . . . . ?
C18 C17 C21 N2 -1.5(9) . . . . ?
C16 C17 C21 N2 -179.5(5) . . . . ?
C19 C20 C22 C23 169.7(6) . . . . ?
N2 C20 C22 C23 -8.2(7) . . . . ?
C19 C20 C22 C31 -13.5(10) . . . . ?
N2 C20 C22 C31 168.6(5) . . . . ?
C31 C22 C23 C24 3.5(9) . . . . ?
C20 C22 C23 C24 -179.4(5) . . . . ?
C31 C22 C23 Pt2 -173.9(4) . . . . ?
C20 C22 C23 Pt2 3.1(7) . . . . ?
C22 C23 C24 C25 -1.9(9) . . . . ?
Pt2 C23 C24 C25 175.4(5) . . . . ?
C23 C24 C25 C30 -0.7(10) . . . . ?
C23 C24 C25 C26 -177.9(6) . . . . ?
C24 C25 C26 C27 175.7(7) . . . . ?
C30 C25 C26 C27 -1.5(10) . . . . ?
C25 C26 C27 C28 -0.1(11) . . . . ?
C26 C27 C28 C37 -174.4(7) . . . . ?
C26 C27 C28 C29 1.8(10) . . . . ?
C37 C28 C29 C34 -2.7(9) . . . . ?
C27 C28 C29 C34 -179.1(6) . . . . ?
C37 C28 C29 C30 174.5(6) . . . . ?
C27 C28 C29 C30 -1.9(9) . . . . ?
C24 C25 C30 C29 -175.9(6) . . . . ?
C26 C25 C30 C29 1.4(9) . . . . ?
C24 C25 C30 C31 1.7(9) . . . . ?
C26 C25 C30 C31 178.9(5) . . . . ?
C34 C29 C30 C25 177.4(6) . . . . ?
C28 C29 C30 C25 0.3(9) . . . . ?
C34 C29 C30 C31 -0.1(9) . . . . ?
C28 C29 C30 C31 -177.3(6) . . . . ?
C23 C22 C31 C32 173.4(6) . . . . ?
C20 C22 C31 C32 -3.2(10) . . . . ?
C23 C22 C31 C30 -2.6(8) . . . . ?
C20 C22 C31 C30 -179.1(5) . . . . ?
C25 C30 C31 C22 -0.1(8) . . . . ?
C29 C30 C31 C22 177.4(5) . . . . ?
C25 C30 C31 C32 -176.4(5) . . . . ?
C29 C30 C31 C32 1.0(8) . . . . ?
C22 C31 C32 C33 -177.7(6) . . . . ?
C30 C31 C32 C33 -1.7(9) . . . . ?
C31 C32 C33 C34 1.5(11) . . . . ?
C28 C29 C34 C35 2.9(9) . . . . ?
C30 C29 C34 C35 -174.4(6) . . . . ?
C28 C29 C34 C33 176.9(6) . . . . ?
C30 C29 C34 C33 -0.3(9) . . . . ?
C32 C33 C34 C35 173.5(6) . . . . ?
C32 C33 C34 C29 -0.4(10) . . . . ?
C29 C34 C35 C36 -1.5(10) . . . . ?
C33 C34 C35 C36 -175.2(7) . . . . ?
C34 C35 C36 C37 -0.1(11) . . . . ?
C34 C35 C36 C38 174.9(7) . . . . ?
C35 C36 C37 C28 0.2(12) . . . . ?
C38 C36 C37 C28 -174.9(7) . . . . ?
C27 C28 C37 C36 177.5(7) . . . . ?
C29 C28 C37 C36 1.3(11) . . . . ?
C35 C36 C38 C39 16.5(14) . . . . ?
C37 C36 C38 C39 -168.6(10) . . . . ?
C35 C36 C38 C40 -109.8(10) . . . . ?
C37 C36 C38 C40 65.1(11) . . . . ?
C35 C36 C38 C41 131.7(9) . . . . ?
C37 C36 C38 C41 -53.4(11) . . . . ?
Pt2 O3 C46 C47 4.2(10) . . . . ?
Pt2 O3 C46 C45 179.9(4) . . . . ?
C43 C45 C46 O3 -107.1(9) . . . . ?
C42 C45 C46 O3 17.0(10) . . . . ?
C44 C45 C46 O3 133.2(7) . . . . ?
C43 C45 C46 C47 68.8(10) . . . . ?
C42 C45 C46 C47 -167.1(8) . . . . ?
C44 C45 C46 C47 -50.9(10) . . . . ?
O3 C46 C47 C48 -5.7(12) . . . . ?
C45 C46 C47 C48 178.8(7) . . . . ?
Pt2 O4 C48 C47 7.9(11) . . . . ?
Pt2 O4 C48 C49 -172.7(5) . . . . ?
C46 C47 C48 O4 -0.9(13) . . . . ?
C46 C47 C48 C49 179.7(7) . . . . ?
O4 C48 C49 C50 19.1(12) . . . . ?
C47 C48 C49 C50 -161.5(10) . . . . ?
O4 C48 C49 C52 -110.8(9) . . . . ?
C47 C48 C49 C52 68.7(11) . . . . ?
O4 C48 C49 C51 136.3(8) . . . . ?
C47 C48 C49 C51 -44.2(11) . . . . ?

_refine_diff_density_max         1.291
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.109

