# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1912954'
loop_
_audit_author_name
_audit_author_address
'Thomas Dietl'
;Bayreuth University
Germany
;
_audit_update_record             
;
2019-04-29 deposited with the CCDC.	2019-10-15 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H32 Cl4 N4 Pt0.90, 2(C H2 Cl2)'
_chemical_formula_sum            'C36 H36 Cl8 N4 Pt0.90'
_chemical_formula_weight         983.87

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   24.684(5)
_cell_length_b                   8.277(5)
_cell_length_c                   22.505(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 121.662(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     3914(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    133(2)
_cell_measurement_reflns_used    8743
_cell_measurement_theta_min      1.94
_cell_measurement_theta_max      28.26

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_F_000             1945
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.214
_exptl_crystal_size_mid          0.124
_exptl_crystal_size_min          0.09
_exptl_absorpt_coefficient_mu    3.808
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8407
_exptl_absorpt_correction_T_max  0.9116
_exptl_absorpt_process_details   STOE-XRED32
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      133(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  STOE-STADIVARI
_diffrn_measurement_method       omega-scan
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10695
_diffrn_reflns_av_unetI/netI     0.0734
_diffrn_reflns_av_R_equivalents  0.0770
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.988
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        24.996
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             3414
_reflns_number_gt                2307
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       STOE-XAREA
_computing_cell_refinement       STOE-XAREA
_computing_data_reduction        STOE-XAREA
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_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)+(0.1072P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3414
_refine_ls_number_parameters     223
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0823
_refine_ls_R_factor_gt           0.0554
_refine_ls_wR_factor_ref         0.1630
_refine_ls_wR_factor_gt          0.1414
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6460(5) -0.0755(13) 0.7011(5) 0.047(3) Uani 1 1 d . . . . .
H1 H 0.637293 0.036785 0.698979 0.056 Uiso 1 1 calc R U . . .
C2 C 0.6878(5) -0.1285(14) 0.6835(7) 0.055(3) Uani 1 1 d . . . . .
H2 H 0.708358 -0.052464 0.670137 0.066 Uiso 1 1 calc R U . . .
C3 C 0.7011(5) -0.2904(16) 0.6846(6) 0.059(3) Uani 1 1 d . . . . .
H3 H 0.729756 -0.326815 0.671397 0.070 Uiso 1 1 calc R U . . .
C4 C 0.6717(5) -0.3984(15) 0.7054(6) 0.055(3) Uani 1 1 d . . . . .
H4 H 0.680481 -0.510594 0.706949 0.066 Uiso 1 1 calc R U . . .
C5 C 0.6296(5) -0.3443(13) 0.7240(5) 0.048(3) Uani 1 1 d . . . . .
H5 H 0.609937 -0.420223 0.738482 0.057 Uiso 1 1 calc R U . . .
C6 C 0.6157(4) -0.1821(12) 0.7220(5) 0.035(2) Uani 1 1 d . . . . .
C7 C 0.5690(4) -0.1276(12) 0.7426(5) 0.038(2) Uani 1 1 d . . . . .
H7A H 0.558066 -0.220415 0.762116 0.046 Uiso 1 1 calc R U . . .
H7B H 0.589149 -0.043669 0.779245 0.046 Uiso 1 1 calc R U . . .
C8 C 0.4760(4) 0.0704(11) 0.6758(4) 0.031(2) Uani 1 1 d . . . . .
C9 C 0.4789(4) -0.1472(12) 0.6199(5) 0.038(2) Uani 1 1 d . . . . .
H9 H 0.492929 -0.244956 0.610145 0.045 Uiso 1 1 calc R U . . .
C10 C 0.4258(4) -0.0690(12) 0.5767(5) 0.038(2) Uani 1 1 d . . . . .
H10 H 0.394890 -0.099761 0.530214 0.045 Uiso 1 1 calc R U . . .
C11 C 0.3690(4) 0.1802(12) 0.5758(5) 0.037(2) Uani 1 1 d . . . . .
H11A H 0.373059 0.246098 0.541640 0.044 Uiso 1 1 calc R U . . .
H11B H 0.369338 0.254159 0.610580 0.044 Uiso 1 1 calc R U . . .
C12 C 0.3068(4) 0.0881(12) 0.5386(5) 0.041(2) Uani 1 1 d . . . . .
C13 C 0.2821(5) 0.0206(14) 0.5760(6) 0.052(3) Uani 1 1 d . . . . .
H13 H 0.304557 0.030855 0.625363 0.063 Uiso 1 1 calc R U . . .
C14 C 0.2248(5) -0.0616(15) 0.5413(8) 0.067(4) Uani 1 1 d . . . . .
H14 H 0.207812 -0.106141 0.567064 0.080 Uiso 1 1 calc R U . . .
C15 C 0.1922(6) -0.0795(14) 0.4701(8) 0.076(4) Uani 1 1 d . . . . .
H15 H 0.152909 -0.136112 0.446869 0.091 Uiso 1 1 calc R U . . .
C16 C 0.2167(5) -0.0148(14) 0.4320(6) 0.060(3) Uani 1 1 d . . . . .
H16 H 0.194724 -0.027970 0.382771 0.072 Uiso 1 1 calc R U . . .
C17 C 0.2740(5) 0.0695(14) 0.4671(5) 0.051(3) Uani 1 1 d . . . . .
H17 H 0.290846 0.115052 0.441318 0.062 Uiso 1 1 calc R U . . .
C18 C 0.4756(7) -0.2389(19) 0.4329(8) 0.083(5) Uani 1 1 d . . . . .
H18A H 0.480760 -0.314303 0.402057 0.099 Uiso 1 1 calc R U . . .
H18B H 0.470365 -0.128673 0.413493 0.099 Uiso 1 1 calc R U . . .
N1 N 0.4237(3) 0.0663(9) 0.6115(4) 0.0328(17) Uani 1 1 d . . . . .
N2 N 0.5102(3) -0.0619(9) 0.6817(4) 0.0336(17) Uani 1 1 d . . . . .
CL1 Cl 0.47063(11) 0.4548(3) 0.66605(13) 0.0409(6) Uani 1 1 d . U . . .
CL2 Cl 0.40020(10) 0.2574(3) 0.73743(11) 0.0368(5) Uani 1 1 d . U . . .
CL3 Cl 0.4058(2) -0.2922(6) 0.4333(2) 0.0984(15) Uani 1 1 d . . . . .
CL4 Cl 0.5439(2) -0.2449(5) 0.5164(2) 0.0897(13) Uani 1 1 d . . . . .
PT1 Pt 0.500000 0.24545(6) 0.750000 0.0249(2) Uani 0.9 2 d S TU P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.358(14) . ?
C1 C6 1.389(14) . ?
C2 C3 1.376(17) . ?
C3 C4 1.377(17) . ?
C4 C5 1.383(15) . ?
C5 C6 1.381(15) . ?
C6 C7 1.519(13) . ?
C7 N2 1.482(11) . ?
C8 N1 1.342(11) . ?
C8 N2 1.345(11) . ?
C8 PT1 2.050(9) . ?
C9 C10 1.320(13) . ?
C9 N2 1.379(12) . ?
C10 N1 1.384(11) . ?
C11 N1 1.490(11) . ?
C11 C12 1.513(13) . ?
C12 C17 1.378(14) . ?
C12 C13 1.390(14) . ?
C13 C14 1.383(15) . ?
C14 C15 1.372(19) . ?
C15 C16 1.391(19) . ?
C16 C17 1.392(15) . ?
C18 CL4 1.747(16) . ?
C18 CL3 1.782(14) . ?
CL1 PT1 2.379(2) . ?
CL2 PT1 2.330(2) . ?
PT1 C8 2.050(9) 2_656 ?
PT1 CL2 2.329(2) 2_656 ?
PT1 CL1 2.379(2) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 C6 121.4(11) . . ?
C1 C2 C3 121.2(11) . . ?
C2 C3 C4 118.5(11) . . ?
C3 C4 C5 120.4(11) . . ?
C6 C5 C4 121.2(11) . . ?
C5 C6 C1 117.4(9) . . ?
C5 C6 C7 119.6(9) . . ?
C1 C6 C7 123.0(9) . . ?
N2 C7 C6 111.0(7) . . ?
N1 C8 N2 106.5(8) . . ?
N1 C8 PT1 126.8(6) . . ?
N2 C8 PT1 126.7(6) . . ?
C10 C9 N2 107.8(9) . . ?
C9 C10 N1 107.3(8) . . ?
N1 C11 C12 110.4(8) . . ?
C17 C12 C13 119.2(10) . . ?
C17 C12 C11 120.3(10) . . ?
C13 C12 C11 120.5(9) . . ?
C14 C13 C12 120.0(11) . . ?
C15 C14 C13 120.7(13) . . ?
C14 C15 C16 120.1(12) . . ?
C15 C16 C17 119.0(11) . . ?
C12 C17 C16 121.1(12) . . ?
CL4 C18 CL3 112.2(8) . . ?
C8 N1 C10 109.3(7) . . ?
C8 N1 C11 130.8(8) . . ?
C10 N1 C11 120.0(7) . . ?
C8 N2 C9 109.1(7) . . ?
C8 N2 C7 130.5(8) . . ?
C9 N2 C7 120.2(8) . . ?
C8 PT1 C8 90.0(5) 2_656 . ?
C8 PT1 CL2 95.5(2) 2_656 2_656 ?
C8 PT1 CL2 87.9(2) . 2_656 ?
C8 PT1 CL2 87.9(2) 2_656 . ?
C8 PT1 CL2 95.5(2) . . ?
CL2 PT1 CL2 175.12(11) 2_656 . ?
C8 PT1 CL1 177.8(2) 2_656 . ?
C8 PT1 CL1 91.7(3) . . ?
CL2 PT1 CL1 85.83(8) 2_656 . ?
CL2 PT1 CL1 90.61(8) . . ?
C8 PT1 CL1 91.7(3) 2_656 2_656 ?
C8 PT1 CL1 177.8(2) . 2_656 ?
CL2 PT1 CL1 90.61(8) 2_656 2_656 ?
CL2 PT1 CL1 85.83(8) . 2_656 ?
CL1 PT1 CL1 86.50(13) . 2_656 ?

_refine_diff_density_max         2.139
_refine_diff_density_min         -2.777
_refine_diff_density_rms         0.230

####################################################################### 
# 
# 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_sv475_1_t_p1
_database_code_depnum_ccdc_archive 'CCDC 1912955'
loop_
_audit_author_name
_audit_author_address
'Thomas Dietl'
;Bayreuth University
Germany
;
_audit_update_record             
;
2019-04-29 deposited with the CCDC.	2019-10-15 downloaded from the CCDC.
;
_audit_creation_date             2018-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_formula_moiety         'C30 H44 Cl2 N4 Pt, C H Cl3'
_chemical_formula_sum            'C31 H45 Cl5 N4 Pt'
_chemical_formula_weight         846.07
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Pt -1.63788 8.57892 27.00590 17.76390 15.71310 5.78370 1.51293 8.81174 0.42459
38.61030 11.6883001328
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

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

_symmetry_Int_Tables_number      2
_cell_length_a                   8.6162(17)
_cell_length_b                   12.200(2)
_cell_length_c                   17.892(4)
_cell_angle_alpha                104.49(3)
_cell_angle_beta                 95.13(3)
_cell_angle_gamma                104.88(3)
_cell_volume                     1736.1(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    1222
_cell_measurement_temperature    133
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      5.695
_exptl_absorpt_coefficient_mu    4.452
_exptl_absorpt_correction_T_max  0.7332
_exptl_absorpt_correction_T_min  0.6125
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.6184
_exptl_crystal_description       block
_exptl_crystal_F_000             842.5082
_exptl_crystal_size_max          0.068
_exptl_crystal_size_mid          0.005
_exptl_crystal_size_min          0.004
_diffrn_reflns_av_R_equivalents  0.0148
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20838
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.80
_diffrn_ambient_temperature      133
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.9328
_diffrn_measurement_device_type  'Stoe Stadivari'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              15
_reflns_limit_k_min              -16
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                7605
_reflns_number_total             8234
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.6201
_refine_diff_density_min         -0.5379
_refine_diff_density_rms         0.1096
_refine_ls_d_res_high            0.7447
_refine_ls_d_res_low             11.3069
_refine_ls_goodness_of_fit_ref   1.0402
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    70
_refine_ls_number_parameters     374
_refine_ls_number_reflns         8234
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0213
_refine_ls_R_factor_gt           0.0175
_refine_ls_restrained_S_all      1.0402
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0198P)²+0.8853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0372
_refine_ls_wR_factor_ref         0.0382
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C013(H013)
2.b Secondary CH2 refined with riding coordinates:
 C00G(H00a,H00b), C00K(H00c,H00d), C00L(H00e,H00g), C00N(H00h,H00j), C00O(H00k,
 H00l), C00S(H00n,H00o), C00T(H00s,H00t), C00U(H00u,H00v), C00W(H00z,H),
 C00Y(H0aa,Ha), C00Z(H1aa,Hb), C010(H01a,H01b)
2.c Aromatic/amide H refined with riding coordinates:
 C00F(H00F), C00I(H00I), C00M(H00M), C00P(H00P), C00Q(H00Q), C00R(H00R),
 C00X(H00), C012(H012)
2.d Idealised Me refined as rotating group:
 C00V(H00w,H00x,H00y), C011(H01c,H01d,H01e), C014(H01f,H01g,H01h), C015(H01i,
 H01j,H01k)
;
_atom_sites_solution_primary     dual
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_refinement_flags_posn
Pt01 Pt 0.522139(9) 0.437646(7) 0.768104(4) 0.01271(2) Uani 1.000000 .
Cl02 Cl 0.26080(6) 0.36689(4) 0.69124(3) 0.01844(10) Uani 1.000000 .
Cl03 Cl 0.43976(6) 0.30935(5) 0.84542(3) 0.02017(10) Uani 1.000000 .
Cl04 Cl 0.46834(8) 0.09266(6) 0.61238(4) 0.04160(15) Uani 1.000000 .
Cl05 Cl 0.29939(10) -0.00856(6) 0.72244(4) 0.04565(17) Uani 1.000000 .
Cl06 Cl 0.11812(8) 0.03073(6) 0.59255(4) 0.04108(15) Uani 1.000000 .
N007 N 0.6398(2) 0.52227(15) 0.63387(10) 0.0159(3) Uani 1.000000 .
N008 N 0.80291(19) 0.58531(15) 0.89584(9) 0.0146(3) Uani 1.000000 .
N009 N 0.86196(19) 0.43842(15) 0.81780(9) 0.0151(3) Uani 1.000000 .
N00A N 0.5537(2) 0.65227(15) 0.71278(10) 0.0165(3) Uani 1.000000 .
C00B C 0.7418(2) 0.49111(17) 0.83093(11) 0.0151(4) Uani 1.000000 .
C00C C 0.5790(2) 0.54413(18) 0.70173(11) 0.0154(4) Uani 1.000000 .
C00D C 1.0005(2) 0.49972(18) 0.87410(11) 0.0154(4) Uani 1.000000 .
C00E C 0.6549(2) 0.61653(18) 0.60155(12) 0.0174(4) Uani 1.000000 .
C00F C 0.7101(3) 0.6351(2) 0.53374(12) 0.0205(4) Uani 1.000000 .
H00F H 0.7454(3) 0.5774(2) 0.49879(12) 0.0246(5) Uiso 1.000000 R
C00G C 0.8399(3) 0.22651(19) 0.79997(12) 0.0230(4) Uani 1.000000 .
H00a H 0.7304(3) 0.20161(19) 0.81417(12) 0.0276(5) Uiso 1.000000 R
H00b H 0.9204(3) 0.25730(19) 0.84881(12) 0.0276(5) Uiso 1.000000 R
C00H C 0.9628(2) 0.59279(18) 0.92389(11) 0.0161(4) Uani 1.000000 .
C00I C 1.2614(2) 0.5562(2) 0.94988(12) 0.0216(4) Uani 1.000000 .
H00I H 1.3652(2) 0.5446(2) 0.96024(12) 0.0259(5) Uiso 1.000000 R
C00J C 0.6003(2) 0.69979(18) 0.65220(12) 0.0177(4) Uani 1.000000 .
C00K C 0.2076(3) 0.75242(19) 0.80077(13) 0.0218(4) Uani 1.000000 .
H00c H 0.2673(3) 0.83776(19) 0.81884(13) 0.0262(5) Uiso 1.000000 R
H00d H 0.2120(3) 0.72050(19) 0.84639(13) 0.0262(5) Uiso 1.000000 R
C00L C 0.8748(3) 0.1197(2) 0.74702(14) 0.0303(5) Uani 1.000000 .
H00e H 0.7876(3) 0.0840(2) 0.70071(14) 0.0363(6) Uiso 1.000000 R
H00g H 0.9789(3) 0.1461(2) 0.72835(14) 0.0363(6) Uiso 1.000000 R
C00M C 1.0742(2) 0.67118(19) 0.98804(12) 0.0195(4) Uani 1.000000 .
H00M H 1.0489(2) 0.73551(19) 1.02182(12) 0.0233(5) Uiso 1.000000 R
C00N C 0.6764(2) 0.41296(18) 0.59526(12) 0.0179(4) Uani 1.000000 .
H00h H 0.6286(2) 0.35095(18) 0.62008(12) 0.0215(5) Uiso 1.000000 R
H00j H 0.6244(2) 0.38582(18) 0.53964(12) 0.0215(5) Uiso 1.000000 R
C00O C 0.7659(3) 0.78792(18) 0.94038(13) 0.0209(4) Uani 1.000000 .
H00k H 0.8824(3) 0.82174(18) 0.96389(13) 0.0251(5) Uiso 1.000000 R
H00l H 0.7541(3) 0.79472(18) 0.88631(13) 0.0251(5) Uiso 1.000000 R
C00P C 1.2244(3) 0.6503(2) 1.00006(12) 0.0223(4) Uani 1.000000 .
H00P H 1.3038(3) 0.7013(2) 1.04345(12) 0.0268(5) Uiso 1.000000 R
C00Q C 1.1510(2) 0.47926(19) 0.88533(12) 0.0194(4) Uani 1.000000 .
H00Q H 1.1768(2) 0.41602(19) 0.85070(12) 0.0233(5) Uiso 1.000000 R
C00R C 0.5999(3) 0.80717(19) 0.63795(13) 0.0214(4) Uani 1.000000 .
H00R H 0.5617(3) 0.86392(19) 0.67213(13) 0.0257(5) Uiso 1.000000 R
C00S C 0.8577(2) 0.42781(19) 0.59952(12) 0.0186(4) Uani 1.000000 .
H00n H 0.9070(2) 0.49310(19) 0.57765(12) 0.0224(5) Uiso 1.000000 R
H00o H 0.9089(2) 0.44975(19) 0.65501(12) 0.0224(5) Uiso 1.000000 R
C00T C 0.8471(2) 0.32466(18) 0.76083(12) 0.0176(4) Uani 1.000000 .
H00s H 0.7472(2) 0.30280(18) 0.72185(12) 0.0211(5) Uiso 1.000000 R
H00t H 0.9414(2) 0.33305(18) 0.73272(12) 0.0211(5) Uiso 1.000000 R
C00U C 0.7102(2) 0.65807(18) 0.93819(12) 0.0172(4) Uani 1.000000 .
H00u H 0.5942(2) 0.62492(18) 0.91361(12) 0.0207(5) Uiso 1.000000 R
H00v H 0.7177(2) 0.65269(18) 0.99263(12) 0.0207(5) Uiso 1.000000 R
C00V C 0.0309(3) 0.7374(2) 0.76974(15) 0.0293(5) Uani 1.000000 .
H00w H 0.0255(3) 0.7659(14) 0.7233(6) 0.0440(8) Uiso 1.000000 GR
H00x H -0.0308(5) 0.6535(3) 0.7558(10) 0.0440(8) Uiso 1.000000 GR
H00y H -0.0158(7) 0.7830(12) 0.8101(4) 0.0440(8) Uiso 1.000000 GR
C00W C 0.6665(3) 0.8578(2) 0.98784(14) 0.0292(5) Uani 1.000000 .
H00z H 0.5514(3) 0.8272(2) 0.96187(14) 0.0350(6) Uiso 1.000000 R
H H 0.6711(3) 0.8450(2) 1.04038(14) 0.0350(6) Uiso 1.000000 R
C00X C 0.7112(3) 0.7421(2) 0.51966(13) 0.0240(5) Uani 1.000000 .
H00 H 0.7487(3) 0.7583(2) 0.47412(13) 0.0288(5) Uiso 1.000000 R
C00Y C 0.8929(3) 0.3152(2) 0.55463(13) 0.0249(5) Uani 1.000000 .
H0aa H 1.0110(3) 0.3250(2) 0.56614(13) 0.0298(6) Uiso 1.000000 R
Ha H 0.8350(3) 0.2485(2) 0.57336(13) 0.0298(6) Uiso 1.000000 R
C00Z C 0.4665(3) 0.70502(19) 0.77207(12) 0.0187(4) Uani 1.000000 .
H1aa H 0.4681(3) 0.66788(19) 0.81529(12) 0.0224(5) Uiso 1.000000 R
Hb H 0.5237(3) 0.79043(19) 0.79399(12) 0.0224(5) Uiso 1.000000 R
C010 C 0.2913(3) 0.68977(19) 0.73922(12) 0.0199(4) Uani 1.000000 .
H01a H 0.2314(3) 0.60447(19) 0.72068(12) 0.0238(5) Uiso 1.000000 R
H01b H 0.2888(3) 0.72238(19) 0.69386(12) 0.0238(5) Uiso 1.000000 R
C011 C 0.8416(3) 0.2843(2) 0.46646(13) 0.0307(5) Uani 1.000000 .
H01c H 0.8849(18) 0.2206(11) 0.44030(14) 0.0461(8) Uiso 1.000000 GR
H01d H 0.7225(3) 0.2583(15) 0.45369(16) 0.0461(8) Uiso 1.000000 GR
H01e H 0.8844(18) 0.3542(5) 0.4486(2) 0.0461(8) Uiso 1.000000 GR
C012 C 0.6584(3) 0.82639(19) 0.57094(13) 0.0227(4) Uani 1.000000 .
H012 H 0.6625(3) 0.89909(19) 0.55971(13) 0.0272(5) Uiso 1.000000 R
C013 C 0.2987(3) 0.0836(2) 0.66139(14) 0.0291(5) Uani 1.000000 .
H013 H 0.3056(3) 0.1646(2) 0.69435(14) 0.0349(6) Uiso 1.000000 R
C014 C 0.8848(4) 0.0267(2) 0.78859(18) 0.0462(7) Uani 1.000000 .
H01f H 0.910(3) -0.0391(9) 0.7529(5) 0.0694(11) Uiso 1.000000 GR
H01g H 0.9703(18) 0.0618(6) 0.8347(7) 0.0694(11) Uiso 1.000000 GR
H01h H 0.7801(9) -0.0026(14) 0.8049(11) 0.0694(11) Uiso 1.000000 GR
C015 C 0.7257(4) 0.9897(2) 0.9971(2) 0.0476(8) Uani 1.000000 .
H01i H 0.715(2) 1.0035(3) 0.9455(2) 0.0715(11) Uiso 1.000000 GR
H01j H 0.6603(18) 1.0300(3) 1.0298(11) 0.0715(11) Uiso 1.000000 GR
H01k H 0.8402(8) 1.0205(4) 1.0219(12) 0.0715(11) Uiso 1.000000 GR


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
Pt01 Cl02 2.3582(10) . ?
Pt01 Cl03 2.3571(8) . ?
Pt01 C00B 1.972(2) . ?
Pt01 C00C 1.972(2) . ?
Cl04 C013 1.764(3) . ?
Cl05 C013 1.753(2) . ?
Cl06 C013 1.760(3) . ?
N007 C00C 1.358(2) . ?
N007 C00E 1.394(3) . ?
N007 C00N 1.466(3) . ?
N008 C00B 1.363(3) . ?
N008 C00H 1.395(3) . ?
N008 C00U 1.462(3) . ?
N009 C00B 1.360(3) . ?
N009 C00D 1.396(3) . ?
N009 C00T 1.469(3) . ?
N00A C00C 1.361(3) . ?
N00A C00J 1.395(2) . ?
N00A C00Z 1.468(3) . ?
C00D C00H 1.387(3) . ?
C00D C00Q 1.389(3) . ?
C00E C00F 1.391(3) . ?
C00E C00J 1.391(3) . ?
C00F C00X 1.387(3) . ?
C00G C00L 1.524(3) . ?
C00G C00T 1.522(3) . ?
C00H C00M 1.391(3) . ?
C00I C00P 1.397(3) . ?
C00I C00Q 1.387(3) . ?
C00J C00R 1.397(3) . ?
C00K C00V 1.521(3) . ?
C00K C010 1.524(3) . ?
C00L C014 1.520(3) . ?
C00M C00P 1.390(3) . ?
C00N C00S 1.518(3) . ?
C00O C00U 1.522(3) . ?
C00O C00W 1.524(3) . ?
C00R C012 1.391(3) . ?
C00S C00Y 1.527(3) . ?
C00W C015 1.518(3) . ?
C00X C012 1.397(3) . ?
C00Y C011 1.523(3) . ?
C00Z C010 1.517(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl03 Pt01 Cl02 90.657(17) . . ?
C00B Pt01 Cl02 177.93(6) . . ?
C00B Pt01 Cl03 88.50(5) . . ?
C00C Pt01 Cl02 86.55(6) . . ?
C00C Pt01 Cl03 177.02(6) . . ?
C00C Pt01 C00B 94.32(8) . . ?
C00E N007 C00C 110.71(17) . . ?
C00N N007 C00C 126.22(16) . . ?
C00N N007 C00E 122.96(16) . . ?
C00H N008 C00B 110.19(16) . . ?
C00U N008 C00B 125.84(16) . . ?
C00U N008 C00H 123.33(16) . . ?
C00D N009 C00B 110.15(16) . . ?
C00T N009 C00B 126.65(16) . . ?
C00T N009 C00D 122.67(16) . . ?
C00J N00A C00C 110.35(16) . . ?
C00Z N00A C00C 125.70(16) . . ?
C00Z N00A C00J 123.29(17) . . ?
N008 C00B Pt01 127.66(14) . . ?
N009 C00B Pt01 125.82(15) . . ?
N009 C00B N008 106.52(16) . . ?
N007 C00C Pt01 127.65(15) . . ?
N00A C00C Pt01 125.94(14) . . ?
N00A C00C N007 106.27(16) . . ?
C00H C00D N009 106.67(17) . . ?
C00Q C00D N009 131.23(19) . . ?
C00Q C00D C00H 122.08(18) . . ?
C00F C00E N007 132.0(2) . . ?
C00J C00E N007 106.16(17) . . ?
C00J C00E C00F 121.89(19) . . ?
C00X C00F C00E 116.7(2) . . ?
C00T C00G C00L 112.05(18) . . ?
C00D C00H N008 106.46(17) . . ?
C00M C00H N008 131.8(2) . . ?
C00M C00H C00D 121.74(19) . . ?
C00Q C00I C00P 121.8(2) . . ?
C00E C00J N00A 106.51(17) . . ?
C00R C00J N00A 131.9(2) . . ?
C00R C00J C00E 121.61(19) . . ?
C010 C00K C00V 112.36(19) . . ?
C014 C00L C00G 112.3(2) . . ?
C00P C00M C00H 116.4(2) . . ?
C00S C00N N007 112.99(16) . . ?
C00W C00O C00U 111.19(17) . . ?
C00M C00P C00I 121.6(2) . . ?
C00I C00Q C00D 116.3(2) . . ?
C012 C00R C00J 116.3(2) . . ?
C00Y C00S C00N 112.14(17) . . ?
C00G C00T N009 111.91(16) . . ?
C00O C00U N008 114.70(16) . . ?
C015 C00W C00O 113.3(2) . . ?
C012 C00X C00F 121.5(2) . . ?
C011 C00Y C00S 113.22(19) . . ?
C010 C00Z N00A 112.52(17) . . ?
C00Z C010 C00K 111.19(18) . . ?
C00X C012 C00R 122.0(2) . . ?
Cl05 C013 Cl04 110.25(14) . . ?
Cl06 C013 Cl04 109.72(13) . . ?
Cl06 C013 Cl05 110.77(13) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
