# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_DK134
_database_code_depnum_ccdc_archive 'CCDC 2207037'
loop_
_audit_author_name
_audit_author_address
'Marie Cordier'
;Institut des Sciences Chimiques de Rennes
France
;
_audit_update_record             
;
2022-09-13 deposited with the CCDC.	2023-04-17 downloaded from the CCDC.
;

#------------------------------------------------------------------------------#
# Date of experiment: 30 aout 2021                                             #
#------------------------------------------------------------------------------#


#------------------------------------------------------------------------------#
#                             CHEMICAL INFORMATION                             #
#------------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C43 H32 Cl2 N2 O3 Pt'
_chemical_formula_sum            'C43 H32 Cl2 N2 O3 Pt'
_chemical_formula_weight         890.69
_chemical_compound_source        'synthesis as described'

#------------------------------------------------------------------------------#
#                    SPACE GROUP AND UNIT CELL INFORMATION                     #
#------------------------------------------------------------------------------#

_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1129(8)
_cell_length_b                   13.0517(10)
_cell_length_c                   13.8906(9)
_cell_angle_alpha                77.079(2)
_cell_angle_beta                 73.709(2)
_cell_angle_gamma                85.307(2)
_cell_volume                     1714.9(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    7964
_cell_measurement_theta_min      2.2527
_cell_measurement_theta_max      27.0711
_cell_measurement_wavelength     0.710730


#------------------------------------------------------------------------------#
#                              ORIENTATION MATRIX                              #
#------------------------------------------------------------------------------#

_diffrn_orient_matrix_UB_11      -0.0556363
_diffrn_orient_matrix_UB_21      -0.0863954
_diffrn_orient_matrix_UB_31      0.0076174
_diffrn_orient_matrix_UB_12      0.0585520
_diffrn_orient_matrix_UB_22      -0.0321349
_diffrn_orient_matrix_UB_32      0.0414847
_diffrn_orient_matrix_UB_13      -0.0306191
_diffrn_orient_matrix_UB_23      0.0488736
_diffrn_orient_matrix_UB_33      0.0505783


#------------------------------------------------------------------------------#
#                             CRYSTAL INFORMATION                              #
#------------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.240
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             880
_exptl_special_details           
;
 ?
;

#------------------------------------------------------------------------------#
#                            ABSORPTION CORRECTION                             #
#------------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    4.293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_T_max  0.357

#------------------------------------------------------------------------------#
#                               DATA COLLECTION                                #
#------------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 CCD-LDI-APEX2
_diffrn_detector_area_resol_mean 8.33
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_reflns_av_uneti/neti     0.0613
_diffrn_reflns_av_r_equivalents  0.0517
_diffrn_reflns_number            23231
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.614
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.978
_reflns_number_total             7713
_reflns_number_gt                6811
_reflns_threshold_expression     >2sigma(I)

_reflns_special_details          
;
Reflections were merged by SHELXL according to the crystal class for the
calculation of statistics and refinement.

;

#------------------------------------------------------------------------------#
#                            COMPUTER PROGRAMS USED                            #
#------------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2 (Bruker, 2014)'
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2014)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2014)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_molecular_graphics    
;
   'PLATON, A.L.Spek, Acta Cryst. 2009, D65, 148-155'
;
_computing_publication_material  
'CRYSCALC (T. Roisnel, local program, ver. 2021)'

#------------------------------------------------------------------------------#
#                            REFINEMENT INFORMATION                            #
#------------------------------------------------------------------------------#

_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     
'w=1/[σ²(Fo²)+(0.0186P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         7713
_refine_ls_number_parameters     462
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0613
_refine_ls_wR_factor_gt          0.0591
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.146
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.133

#------------------------------------------------------------------------------#
#               ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS               #
#------------------------------------------------------------------------------#

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'
Cl Cl 0.1484 0.1585 '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'

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 0.51055(2) 0.53646(2) 0.28527(2) 0.01454(5) Uani 1 1 d . . . . .
O1 O 0.0544(3) 0.3282(2) 0.54542(19) 0.0263(6) Uani 1 1 d . . . . .
O2 O 0.4617(2) 0.42148(19) 0.22419(18) 0.0213(6) Uani 1 1 d . . . . .
O3 O 0.6789(2) 0.57411(19) 0.15735(17) 0.0181(5) Uani 1 1 d . . . . .
N1 N 0.4305(3) 0.6463(2) 0.4482(2) 0.0151(6) Uani 1 1 d . . . . .
N2 N 0.6132(3) 0.7244(2) 0.3410(2) 0.0149(6) Uani 1 1 d . . . . .
C1 C 0.5270(3) 0.6439(3) 0.3575(3) 0.0156(7) Uani 1 1 d . . . . .
C2 C 0.4570(3) 0.7259(3) 0.4913(3) 0.0171(8) Uani 1 1 d . . . . .
C3 C 0.5699(3) 0.7793(3) 0.4214(3) 0.0153(7) Uani 1 1 d . . . . .
C4 C 0.4013(4) 0.7478(3) 0.5890(3) 0.0199(8) Uani 1 1 d . . . . .
H4 H 0.322219 0.712782 0.635365 0.024 Uiso 1 1 calc R U . . .
C5 C 0.4652(4) 0.8213(3) 0.6148(3) 0.0201(8) Uani 1 1 d . . . . .
H5 H 0.432895 0.834322 0.682146 0.024 Uiso 1 1 calc R U . . .
C6 C 0.5784(4) 0.8794(3) 0.5446(3) 0.0186(8) Uani 1 1 d . . . . .
C7 C 0.6247(4) 0.8663(3) 0.4414(3) 0.0168(8) Uani 1 1 d . . . . .
C8 C 0.6508(4) 0.9479(3) 0.5780(3) 0.0221(8) Uani 1 1 d . . . . .
H8 H 0.617646 0.959599 0.645895 0.027 Uiso 1 1 calc R U . . .
C9 C 0.7656(4) 0.9964(3) 0.5149(3) 0.0249(9) Uani 1 1 d . . . . .
H9 H 0.821545 1.031217 0.541736 0.030 Uiso 1 1 calc R U . . .
C10 C 0.8041(4) 0.9958(3) 0.4070(3) 0.0209(8) Uani 1 1 d . . . . .
C11 C 0.7230(3) 0.9408(3) 0.3692(3) 0.0171(8) Uani 1 1 d . . . . .
C12 C 0.9168(4) 1.0545(3) 0.3386(3) 0.0277(9) Uani 1 1 d . . . . .
H12 H 0.977019 1.085323 0.365289 0.033 Uiso 1 1 calc R U . . .
C13 C 0.9405(4) 1.0677(3) 0.2352(3) 0.0299(10) Uani 1 1 d . . . . .
H13 H 1.021748 1.101160 0.190642 0.036 Uiso 1 1 calc R U . . .
C14 C 0.8443(4) 1.0316(3) 0.1939(3) 0.0242(9) Uani 1 1 d . . . . .
C15 C 0.7319(4) 0.9716(3) 0.2602(3) 0.0192(8) Uani 1 1 d . . . . .
C16 C 0.8505(4) 1.0641(3) 0.0882(3) 0.0311(10) Uani 1 1 d . . . . .
H16 H 0.930301 1.098344 0.042049 0.037 Uiso 1 1 calc R U . . .
C17 C 0.7450(5) 1.0471(3) 0.0518(3) 0.0336(10) Uani 1 1 d . . . . .
H17 H 0.749962 1.070937 -0.018937 0.040 Uiso 1 1 calc R U . . .
C18 C 0.6287(4) 0.9942(3) 0.1187(3) 0.0261(9) Uani 1 1 d . . . . .
H18 H 0.553122 0.985280 0.093651 0.031 Uiso 1 1 calc R U . . .
C19 C 0.6223(4) 0.9550(3) 0.2206(3) 0.0196(8) Uani 1 1 d . . . . .
H19 H 0.544267 0.916743 0.264488 0.024 Uiso 1 1 calc R U . . .
C20 C 0.3293(3) 0.5669(3) 0.4785(3) 0.0154(7) Uani 1 1 d . . . . .
C21 C 0.2204(4) 0.5548(3) 0.5657(3) 0.0197(8) Uani 1 1 d . . . . .
H21 H 0.208499 0.600564 0.612054 0.024 Uiso 1 1 calc R U . . .
C22 C 0.1278(4) 0.4744(3) 0.5847(3) 0.0212(8) Uani 1 1 d . . . . .
H22 H 0.050785 0.465602 0.643510 0.025 Uiso 1 1 calc R U . . .
C23 C 0.1496(4) 0.4075(3) 0.5172(3) 0.0206(8) Uani 1 1 d . . . . .
C24 C 0.2571(3) 0.4214(3) 0.4292(3) 0.0179(8) Uani 1 1 d . . . . .
H24 H 0.268240 0.375600 0.383018 0.021 Uiso 1 1 calc R U . . .
C25 C 0.3504(3) 0.5026(3) 0.4075(3) 0.0165(8) Uani 1 1 d . . . . .
C26 C 0.0647(4) 0.2604(3) 0.4769(3) 0.0267(9) Uani 1 1 d . . . . .
H26A H 0.054425 0.301677 0.411044 0.040 Uiso 1 1 calc R U . . .
H26B H -0.008126 0.208302 0.505866 0.040 Uiso 1 1 calc R U . . .
H26C H 0.154899 0.224407 0.466246 0.040 Uiso 1 1 calc R U . . .
C27 C 0.7488(3) 0.7319(3) 0.2653(3) 0.0194(8) Uani 1 1 d . . . . .
H27A H 0.781847 0.661486 0.254678 0.029 Uiso 1 1 calc R U . . .
H27B H 0.814203 0.762799 0.290561 0.029 Uiso 1 1 calc R U . . .
H27C H 0.740741 0.776376 0.200196 0.029 Uiso 1 1 calc R U . . .
C28 C 0.5255(4) 0.3984(3) 0.1366(3) 0.0193(8) Uani 1 1 d . . . . .
C29 C 0.6407(4) 0.4477(3) 0.0685(3) 0.0201(8) Uani 1 1 d . . . . .
H29 H 0.677643 0.421806 0.007412 0.024 Uiso 1 1 calc R U . . .
C30 C 0.7096(3) 0.5316(3) 0.0791(3) 0.0173(8) Uani 1 1 d . . . . .
C31 C 0.4622(4) 0.3114(3) 0.1125(3) 0.0177(8) Uani 1 1 d . . . . .
C32 C 0.3669(4) 0.2473(3) 0.1907(3) 0.0221(8) Uani 1 1 d . . . . .
H32 H 0.347931 0.257110 0.259044 0.026 Uiso 1 1 calc R U . . .
C33 C 0.3000(4) 0.1703(3) 0.1709(3) 0.0237(9) Uani 1 1 d . . . . .
H33 H 0.235759 0.127445 0.225358 0.028 Uiso 1 1 calc R U . . .
C34 C 0.3259(4) 0.1549(3) 0.0718(3) 0.0273(9) Uani 1 1 d . . . . .
H34 H 0.278856 0.102105 0.057938 0.033 Uiso 1 1 calc R U . . .
C35 C 0.4206(4) 0.2170(3) -0.0067(3) 0.0266(9) Uani 1 1 d . . . . .
H35 H 0.438836 0.206825 -0.074893 0.032 Uiso 1 1 calc R U . . .
C36 C 0.4890(4) 0.2939(3) 0.0137(3) 0.0199(8) Uani 1 1 d . . . . .
H36 H 0.555162 0.335288 -0.040626 0.024 Uiso 1 1 calc R U . . .
C37 C 0.8309(3) 0.5762(3) -0.0051(3) 0.0180(8) Uani 1 1 d . . . . .
C38 C 0.9273(4) 0.6317(3) 0.0172(3) 0.0203(8) Uani 1 1 d . . . . .
H38 H 0.913620 0.641616 0.085078 0.024 Uiso 1 1 calc R U . . .
C39 C 1.0423(4) 0.6720(3) -0.0589(3) 0.0258(9) Uani 1 1 d . . . . .
H39 H 1.108056 0.708612 -0.042819 0.031 Uiso 1 1 calc R U . . .
C40 C 1.0621(4) 0.6596(3) -0.1575(3) 0.0286(9) Uani 1 1 d . . . . .
H40 H 1.141465 0.687410 -0.209392 0.034 Uiso 1 1 calc R U . . .
C41 C 0.9667(4) 0.6068(3) -0.1812(3) 0.0286(9) Uani 1 1 d . . . . .
H41 H 0.980363 0.598854 -0.249703 0.034 Uiso 1 1 calc R U . . .
C42 C 0.8514(4) 0.5655(3) -0.1060(3) 0.0247(9) Uani 1 1 d . . . . .
H42 H 0.785885 0.529691 -0.123070 0.030 Uiso 1 1 calc R U . . .
Cl1 Cl 0.13498(12) 0.71380(11) 0.17103(9) 0.0504(3) Uani 1 1 d . . . . .
Cl2 Cl 0.25528(16) 0.85340(11) 0.25919(11) 0.0684(4) Uani 1 1 d . . . . .
C43 C 0.2169(4) 0.7232(3) 0.2648(3) 0.0339(10) Uani 1 1 d . . . . .
H43A H 0.156319 0.693949 0.333565 0.041 Uiso 1 1 calc R U . . .
H43B H 0.303243 0.680416 0.255061 0.041 Uiso 1 1 calc R U . . .



#------------------------------------------------------------------------------#
#                              MOLECULAR GEOMETRY                              #
#------------------------------------------------------------------------------#

_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 C1 1.940(3) . ?
Pt1 C25 1.984(3) . ?
Pt1 O2 2.035(2) . ?
Pt1 O3 2.085(2) . ?
O1 C23 1.386(4) . ?
O1 C26 1.417(4) . ?
O2 C28 1.296(4) . ?
O3 C30 1.280(4) . ?
N1 C1 1.364(4) . ?
N1 C2 1.387(4) . ?
N1 C20 1.427(4) . ?
N2 C1 1.358(4) . ?
N2 C3 1.409(4) . ?
N2 C27 1.471(4) . ?
C2 C3 1.392(5) . ?
C2 C4 1.400(5) . ?
C3 C7 1.415(5) . ?
C4 C5 1.360(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.421(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.422(5) . ?
C6 C8 1.428(5) . ?
C7 C11 1.450(5) . ?
C8 C9 1.348(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.440(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.404(5) . ?
C10 C12 1.414(5) . ?
C11 C15 1.457(5) . ?
C12 C13 1.361(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.416(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.411(5) . ?
C14 C16 1.419(5) . ?
C15 C19 1.417(5) . ?
C16 C17 1.355(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.398(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.378(5) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.378(5) . ?
C20 C25 1.395(5) . ?
C21 C22 1.395(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(5) . ?
C24 C25 1.402(5) . ?
C24 H24 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.378(5) . ?
C28 C31 1.490(5) . ?
C29 C30 1.401(5) . ?
C29 H29 0.9500 . ?
C30 C37 1.489(5) . ?
C31 C36 1.390(5) . ?
C31 C32 1.395(5) . ?
C32 C33 1.371(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.382(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.385(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.395(5) . ?
C37 C38 1.399(5) . ?
C38 C39 1.382(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.372(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.382(5) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
Cl1 C43 1.758(4) . ?
Cl2 C43 1.754(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?

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 Pt1 C25 79.82(14) . . ?
C1 Pt1 O2 170.78(12) . . ?
C25 Pt1 O2 91.37(12) . . ?
C1 Pt1 O3 99.39(12) . . ?
C25 Pt1 O3 179.18(12) . . ?
O2 Pt1 O3 89.40(9) . . ?
C23 O1 C26 117.8(3) . . ?
C28 O2 Pt1 126.8(2) . . ?
C30 O3 Pt1 125.6(2) . . ?
C1 N1 C2 110.7(3) . . ?
C1 N1 C20 114.6(3) . . ?
C2 N1 C20 134.6(3) . . ?
C1 N2 C3 110.0(3) . . ?
C1 N2 C27 122.3(3) . . ?
C3 N2 C27 125.9(3) . . ?
N2 C1 N1 106.4(3) . . ?
N2 C1 Pt1 136.1(3) . . ?
N1 C1 Pt1 117.4(2) . . ?
N1 C2 C3 106.5(3) . . ?
N1 C2 C4 131.2(3) . . ?
C3 C2 C4 121.9(3) . . ?
C2 C3 N2 106.2(3) . . ?
C2 C3 C7 121.4(3) . . ?
N2 C3 C7 132.2(3) . . ?
C5 C4 C2 117.2(3) . . ?
C5 C4 H4 121.4 . . ?
C2 C4 H4 121.4 . . ?
C4 C5 C6 122.4(3) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 C8 120.4(3) . . ?
C7 C6 C8 119.2(3) . . ?
C3 C7 C6 115.2(3) . . ?
C3 C7 C11 127.2(3) . . ?
C6 C7 C11 117.6(3) . . ?
C9 C8 C6 121.0(3) . . ?
C9 C8 H8 119.5 . . ?
C6 C8 H8 119.5 . . ?
C8 C9 C10 120.6(3) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C12 120.0(3) . . ?
C11 C10 C9 119.0(3) . . ?
C12 C10 C9 120.9(3) . . ?
C10 C11 C7 118.8(3) . . ?
C10 C11 C15 117.1(3) . . ?
C7 C11 C15 123.7(3) . . ?
C13 C12 C10 121.1(3) . . ?
C13 C12 H12 119.5 . . ?
C10 C12 H12 119.5 . . ?
C12 C13 C14 120.2(4) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 C16 118.9(3) . . ?
C13 C14 C16 121.0(4) . . ?
C14 C15 C19 118.6(3) . . ?
C14 C15 C11 119.1(3) . . ?
C19 C15 C11 121.8(3) . . ?
C17 C16 C14 121.3(4) . . ?
C17 C16 H16 119.3 . . ?
C14 C16 H16 119.3 . . ?
C16 C17 C18 119.7(4) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 120.9(4) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C15 120.2(4) . . ?
C18 C19 H19 119.9 . . ?
C15 C19 H19 119.9 . . ?
C21 C20 C25 122.8(3) . . ?
C21 C20 N1 125.2(3) . . ?
C25 C20 N1 112.0(3) . . ?
C20 C21 C22 118.9(3) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C23 C22 C21 119.2(3) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C24 C23 C22 121.4(3) . . ?
C24 C23 O1 124.2(3) . . ?
C22 C23 O1 114.4(3) . . ?
C23 C24 C25 120.5(3) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C20 C25 C24 117.1(3) . . ?
C20 C25 Pt1 116.1(2) . . ?
C24 C25 Pt1 126.8(3) . . ?
O1 C26 H26A 109.5 . . ?
O1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
O2 C28 C29 125.4(3) . . ?
O2 C28 C31 113.8(3) . . ?
C29 C28 C31 120.8(3) . . ?
C28 C29 C30 127.4(3) . . ?
C28 C29 H29 116.3 . . ?
C30 C29 H29 116.3 . . ?
O3 C30 C29 125.4(3) . . ?
O3 C30 C37 115.4(3) . . ?
C29 C30 C37 119.2(3) . . ?
C36 C31 C32 117.9(3) . . ?
C36 C31 C28 122.7(3) . . ?
C32 C31 C28 119.4(3) . . ?
C33 C32 C31 121.3(3) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 C34 120.3(4) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C35 C34 C33 119.4(3) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.2(3) . . ?
C34 C35 H35 119.9 . . ?
C36 C35 H35 119.9 . . ?
C35 C36 C31 120.9(3) . . ?
C35 C36 H36 119.5 . . ?
C31 C36 H36 119.5 . . ?
C42 C37 C38 118.6(3) . . ?
C42 C37 C30 122.3(3) . . ?
C38 C37 C30 119.0(3) . . ?
C39 C38 C37 120.3(3) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C40 C39 C38 120.4(3) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 120.1(4) . . ?
C39 C40 H40 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.3(3) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 120.3(3) . . ?
C41 C42 H42 119.9 . . ?
C37 C42 H42 119.9 . . ?
Cl2 C43 Cl1 112.2(2) . . ?
Cl2 C43 H43A 109.2 . . ?
Cl1 C43 H43A 109.2 . . ?
Cl2 C43 H43B 109.2 . . ?
Cl1 C43 H43B 109.2 . . ?
H43A C43 H43B 107.9 . . ?

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
C3 N2 C1 N1 -0.8(4) . . . . ?
C27 N2 C1 N1 164.5(3) . . . . ?
C3 N2 C1 Pt1 178.1(3) . . . . ?
C27 N2 C1 Pt1 -16.6(5) . . . . ?
C2 N1 C1 N2 -1.8(4) . . . . ?
C20 N1 C1 N2 179.7(3) . . . . ?
C2 N1 C1 Pt1 179.1(2) . . . . ?
C20 N1 C1 Pt1 0.6(4) . . . . ?
C1 N1 C2 C3 3.7(4) . . . . ?
C20 N1 C2 C3 -178.2(3) . . . . ?
C1 N1 C2 C4 -168.5(4) . . . . ?
C20 N1 C2 C4 9.5(6) . . . . ?
N1 C2 C3 N2 -4.0(4) . . . . ?
C4 C2 C3 N2 169.1(3) . . . . ?
N1 C2 C3 C7 179.9(3) . . . . ?
C4 C2 C3 C7 -6.9(5) . . . . ?
C1 N2 C3 C2 3.1(4) . . . . ?
C27 N2 C3 C2 -161.6(3) . . . . ?
C1 N2 C3 C7 178.5(4) . . . . ?
C27 N2 C3 C7 13.8(6) . . . . ?
N1 C2 C4 C5 168.9(3) . . . . ?
C3 C2 C4 C5 -2.3(5) . . . . ?
C2 C4 C5 C6 4.0(5) . . . . ?
C4 C5 C6 C7 3.5(5) . . . . ?
C4 C5 C6 C8 -173.7(3) . . . . ?
C2 C3 C7 C6 13.7(5) . . . . ?
N2 C3 C7 C6 -161.2(3) . . . . ?
C2 C3 C7 C11 -167.3(3) . . . . ?
N2 C3 C7 C11 17.8(6) . . . . ?
C5 C6 C7 C3 -12.0(5) . . . . ?
C8 C6 C7 C3 165.2(3) . . . . ?
C5 C6 C7 C11 169.0(3) . . . . ?
C8 C6 C7 C11 -13.8(5) . . . . ?
C5 C6 C8 C9 174.1(3) . . . . ?
C7 C6 C8 C9 -3.1(5) . . . . ?
C6 C8 C9 C10 11.4(6) . . . . ?
C8 C9 C10 C11 -2.3(5) . . . . ?
C8 C9 C10 C12 174.1(4) . . . . ?
C12 C10 C11 C7 168.8(3) . . . . ?
C9 C10 C11 C7 -14.8(5) . . . . ?
C12 C10 C11 C15 -18.2(5) . . . . ?
C9 C10 C11 C15 158.2(3) . . . . ?
C3 C7 C11 C10 -156.3(3) . . . . ?
C6 C7 C11 C10 22.6(5) . . . . ?
C3 C7 C11 C15 31.3(5) . . . . ?
C6 C7 C11 C15 -149.8(3) . . . . ?
C11 C10 C12 C13 6.7(6) . . . . ?
C9 C10 C12 C13 -169.6(4) . . . . ?
C10 C12 C13 C14 6.4(6) . . . . ?
C12 C13 C14 C15 -7.2(6) . . . . ?
C12 C13 C14 C16 166.1(4) . . . . ?
C13 C14 C15 C19 167.0(3) . . . . ?
C16 C14 C15 C19 -6.4(5) . . . . ?
C13 C14 C15 C11 -4.8(5) . . . . ?
C16 C14 C15 C11 -178.2(3) . . . . ?
C10 C11 C15 C14 17.2(5) . . . . ?
C7 C11 C15 C14 -170.2(3) . . . . ?
C10 C11 C15 C19 -154.3(3) . . . . ?
C7 C11 C15 C19 18.2(5) . . . . ?
C15 C14 C16 C17 6.3(6) . . . . ?
C13 C14 C16 C17 -167.0(4) . . . . ?
C14 C16 C17 C18 -1.6(6) . . . . ?
C16 C17 C18 C19 -2.9(6) . . . . ?
C17 C18 C19 C15 2.6(5) . . . . ?
C14 C15 C19 C18 2.1(5) . . . . ?
C11 C15 C19 C18 173.7(3) . . . . ?
C1 N1 C20 C21 -178.6(3) . . . . ?
C2 N1 C20 C21 3.4(6) . . . . ?
C1 N1 C20 C25 -0.2(4) . . . . ?
C2 N1 C20 C25 -178.3(3) . . . . ?
C25 C20 C21 C22 0.7(5) . . . . ?
N1 C20 C21 C22 179.0(3) . . . . ?
C20 C21 C22 C23 1.5(5) . . . . ?
C21 C22 C23 C24 -2.8(6) . . . . ?
C21 C22 C23 O1 177.8(3) . . . . ?
C26 O1 C23 C24 -3.2(5) . . . . ?
C26 O1 C23 C22 176.2(3) . . . . ?
C22 C23 C24 C25 1.8(5) . . . . ?
O1 C23 C24 C25 -178.8(3) . . . . ?
C21 C20 C25 C24 -1.7(5) . . . . ?
N1 C20 C25 C24 179.9(3) . . . . ?
C21 C20 C25 Pt1 178.2(3) . . . . ?
N1 C20 C25 Pt1 -0.2(4) . . . . ?
C23 C24 C25 C20 0.4(5) . . . . ?
C23 C24 C25 Pt1 -179.5(3) . . . . ?
Pt1 O2 C28 C29 0.8(5) . . . . ?
Pt1 O2 C28 C31 -178.6(2) . . . . ?
O2 C28 C29 C30 -1.0(6) . . . . ?
C31 C28 C29 C30 178.5(3) . . . . ?
Pt1 O3 C30 C29 -4.4(5) . . . . ?
Pt1 O3 C30 C37 176.8(2) . . . . ?
C28 C29 C30 O3 3.0(6) . . . . ?
C28 C29 C30 C37 -178.2(3) . . . . ?
O2 C28 C31 C36 161.7(3) . . . . ?
C29 C28 C31 C36 -17.9(5) . . . . ?
O2 C28 C31 C32 -15.2(5) . . . . ?
C29 C28 C31 C32 165.3(3) . . . . ?
C36 C31 C32 C33 -0.9(5) . . . . ?
C28 C31 C32 C33 176.1(3) . . . . ?
C31 C32 C33 C34 -0.2(6) . . . . ?
C32 C33 C34 C35 0.7(6) . . . . ?
C33 C34 C35 C36 0.0(6) . . . . ?
C34 C35 C36 C31 -1.2(6) . . . . ?
C32 C31 C36 C35 1.6(5) . . . . ?
C28 C31 C36 C35 -175.3(3) . . . . ?
O3 C30 C37 C42 -158.2(3) . . . . ?
C29 C30 C37 C42 22.9(5) . . . . ?
O3 C30 C37 C38 21.2(5) . . . . ?
C29 C30 C37 C38 -157.7(3) . . . . ?
C42 C37 C38 C39 -1.9(5) . . . . ?
C30 C37 C38 C39 178.7(3) . . . . ?
C37 C38 C39 C40 1.0(6) . . . . ?
C38 C39 C40 C41 0.2(6) . . . . ?
C39 C40 C41 C42 -0.5(6) . . . . ?
C40 C41 C42 C37 -0.4(6) . . . . ?
C38 C37 C42 C41 1.6(5) . . . . ?
C30 C37 C42 C41 -179.0(3) . . . . ?

#------------------------------------------------------------------------------#
#                                EMBEDDED FILES                                #
#------------------------------------------------------------------------------#
#                                                                              #

#...............................................................................
# .RES SHELXL file: job.res
#...............................................................................


