# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2181712'
loop_
_audit_author_name
_audit_author_address
'Jitendra Kumar Bera'
;Indian Institute of Technology Kanpur
India
;
_audit_update_record             
;
2022-06-24 deposited with the CCDC.	2022-12-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H13 Cl N3 Pt, F6 P'
_chemical_formula_sum            'C12 H13 Cl F6 N3 P Pt'
_chemical_formula_weight         574.76
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_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.
;
_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_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.6487(5)
_cell_length_b                   11.9212(8)
_cell_length_c                   12.4491(8)
_cell_angle_alpha                111.4410(10)
_cell_angle_beta                 98.2170(10)
_cell_angle_gamma                102.0040(10)
_cell_volume                     871.99(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6233
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      3.13
_shelx_estimated_absorpt_T_max   0.273
_shelx_estimated_absorpt_T_min   0.250
_exptl_absorpt_coefficient_mu    8.349
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1122 before and 0.0442 after correction.
The Ratio of minimum to maximum transmission is 0.6438.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.189
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10329
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.334
_diffrn_reflns_theta_min         1.913
_diffrn_ambient_temperature      100.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3773
_reflns_number_total             4323
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.068
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         4323
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0321
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0317P)²+0.5283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0687
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C6(H6)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C4(H4A,H4B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C2(H2), C12(H12), C11(H11), C10(H10), C9(H9)
2.d X=CH2 refined with riding coordinates:
 C7(H7A,H7B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.39466(3) 0.33393(2) 0.33206(2) 0.02297(7) Uani 1 1 d . . . . .
Cl1 Cl 0.1705(2) 0.32554(13) 0.46019(11) 0.0357(3) Uani 1 1 d . . . . .
P1 P 0.12566(19) 0.17209(12) -0.10032(12) 0.0272(3) Uani 1 1 d . . . . .
F2 F 0.0832(5) 0.0279(3) -0.1806(4) 0.0674(12) Uani 1 1 d . . . . .
F3 F 0.1223(5) 0.2028(4) -0.2150(3) 0.0475(9) Uani 1 1 d . . . . .
F4 F -0.1236(4) 0.1545(3) -0.1187(3) 0.0315(6) Uani 1 1 d . . . . .
F6 F 0.1270(6) 0.1470(4) 0.0162(4) 0.0680(13) Uani 1 1 d . . . . .
F1 F 0.3760(4) 0.1915(3) -0.0816(3) 0.0442(8) Uani 1 1 d . . . . .
F5 F 0.1699(5) 0.3193(3) -0.0213(3) 0.0479(9) Uani 1 1 d . . . . .
N3 N 0.3264(6) 0.4880(4) 0.3110(3) 0.0241(8) Uani 1 1 d . . . . .
C7 C 0.5468(8) 0.2124(5) 0.3862(5) 0.0337(12) Uani 1 1 d . . . . .
H7A H 0.696761 0.237868 0.400295 0.040 Uiso 1 1 calc R U . . .
H7B H 0.481005 0.236349 0.450741 0.040 Uiso 1 1 calc R U . . .
C6 C 0.4254(8) 0.1411(5) 0.2730(5) 0.0336(12) Uani 1 1 d . . . . .
H6 H 0.295848 0.078310 0.269260 0.040 Uiso 1 1 calc R U . . .
C5 C 0.5126(8) 0.0978(5) 0.1642(5) 0.0322(11) Uani 1 1 d . . . . .
H5A H 0.405842 0.088894 0.095236 0.039 Uiso 1 1 calc R U . . .
H5B H 0.528828 0.013174 0.149823 0.039 Uiso 1 1 calc R U . . .
C4 C 0.7218(8) 0.1802(5) 0.1672(5) 0.0315(11) Uani 1 1 d . . . . .
H4A H 0.828963 0.195638 0.238863 0.038 Uiso 1 1 calc R U . . .
H4B H 0.772089 0.136819 0.096355 0.038 Uiso 1 1 calc R U . . .
N1 N 0.6972(6) 0.3001(4) 0.1691(4) 0.0287(9) Uani 1 1 d . . . . .
C3 C 0.7814(8) 0.3649(5) 0.1054(4) 0.0352(12) Uani 1 1 d . . . . .
H3 H 0.875237 0.342004 0.055886 0.042 Uiso 1 1 calc R U . . .
C2 C 0.7077(8) 0.4649(5) 0.1259(4) 0.0314(11) Uani 1 1 d . . . . .
H2 H 0.738283 0.526207 0.094230 0.038 Uiso 1 1 calc R U . . .
N2 N 0.5765(6) 0.4610(4) 0.2033(3) 0.0257(9) Uani 1 1 d . . . . .
C1 C 0.5732(7) 0.3593(4) 0.2285(4) 0.0243(10) Uani 1 1 d . . . . .
C8 C 0.4410(7) 0.5329(4) 0.2463(4) 0.0244(10) Uani 1 1 d . . . . .
C12 C 0.1851(8) 0.5471(5) 0.3543(4) 0.0299(11) Uani 1 1 d . . . . .
H12 H 0.102241 0.516360 0.399102 0.036 Uiso 1 1 calc R U . . .
C11 C 0.1562(9) 0.6502(5) 0.3361(4) 0.0350(12) Uani 1 1 d . . . . .
H11 H 0.054203 0.689530 0.367018 0.042 Uiso 1 1 calc R U . . .
C10 C 0.2797(9) 0.6960(5) 0.2713(4) 0.0358(12) Uani 1 1 d . . . . .
H10 H 0.264763 0.768093 0.258731 0.043 Uiso 1 1 calc R U . . .
C9 C 0.4232(8) 0.6356(5) 0.2257(4) 0.0306(11) Uani 1 1 d . . . . .
H9 H 0.508076 0.664892 0.180878 0.037 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 Cl1 2.3475(12) . ?
Pt1 N3 2.077(4) . ?
Pt1 C7 2.169(5) . ?
Pt1 C6 2.206(5) . ?
Pt1 C1 1.934(5) . ?
P1 F2 1.580(4) . ?
P1 F3 1.596(3) . ?
P1 F4 1.599(3) . ?
P1 F6 1.584(4) . ?
P1 F1 1.603(3) . ?
P1 F5 1.605(3) . ?
N3 C8 1.355(6) . ?
N3 C12 1.346(6) . ?
C7 H7A 0.9500 . ?
C7 H7B 0.9500 . ?
C7 C6 1.369(7) . ?
C6 H6 1.0000 . ?
C6 C5 1.508(8) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C4 1.514(8) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 N1 1.465(6) . ?
N1 C3 1.390(7) . ?
N1 C1 1.326(6) . ?
C3 H3 0.9500 . ?
C3 C2 1.335(8) . ?
C2 H2 0.9500 . ?
C2 N2 1.395(6) . ?
N2 C1 1.355(6) . ?
N2 C8 1.399(6) . ?
C8 C9 1.364(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.374(7) . ?
C11 H11 0.9500 . ?
C11 C10 1.396(8) . ?
C10 H10 0.9500 . ?
C10 C9 1.375(8) . ?
C9 H9 0.9500 . ?

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
N3 Pt1 Cl1 94.69(11) . . ?
N3 Pt1 C7 163.98(17) . . ?
N3 Pt1 C6 155.90(18) . . ?
C7 Pt1 Cl1 89.24(15) . . ?
C7 Pt1 C6 36.45(19) . . ?
C6 Pt1 Cl1 99.41(15) . . ?
C1 Pt1 Cl1 173.32(14) . . ?
C1 Pt1 N3 78.71(18) . . ?
C1 Pt1 C7 96.8(2) . . ?
C1 Pt1 C6 87.2(2) . . ?
F2 P1 F3 90.1(2) . . ?
F2 P1 F4 90.33(17) . . ?
F2 P1 F6 92.1(3) . . ?
F2 P1 F1 90.30(19) . . ?
F2 P1 F5 178.7(2) . . ?
F3 P1 F4 90.14(16) . . ?
F3 P1 F1 89.58(18) . . ?
F3 P1 F5 88.6(2) . . ?
F4 P1 F1 179.31(18) . . ?
F4 P1 F5 89.95(17) . . ?
F6 P1 F3 177.6(2) . . ?
F6 P1 F4 89.00(18) . . ?
F6 P1 F1 91.25(19) . . ?
F6 P1 F5 89.2(2) . . ?
F1 P1 F5 89.42(18) . . ?
C8 N3 Pt1 114.7(3) . . ?
C12 N3 Pt1 127.7(3) . . ?
C12 N3 C8 117.6(4) . . ?
Pt1 C7 H7A 113.4 . . ?
Pt1 C7 H7B 83.7 . . ?
H7A C7 H7B 120.0 . . ?
C6 C7 Pt1 73.2(3) . . ?
C6 C7 H7A 120.0 . . ?
C6 C7 H7B 120.0 . . ?
Pt1 C6 H6 113.2 . . ?
C7 C6 Pt1 70.3(3) . . ?
C7 C6 H6 113.2 . . ?
C7 C6 C5 124.5(5) . . ?
C5 C6 Pt1 115.4(3) . . ?
C5 C6 H6 113.2 . . ?
C6 C5 H5A 108.0 . . ?
C6 C5 H5B 108.0 . . ?
C6 C5 C4 117.1(4) . . ?
H5A C5 H5B 107.3 . . ?
C4 C5 H5A 108.0 . . ?
C4 C5 H5B 108.0 . . ?
C5 C4 H4A 109.6 . . ?
C5 C4 H4B 109.6 . . ?
H4A C4 H4B 108.1 . . ?
N1 C4 C5 110.2(4) . . ?
N1 C4 H4A 109.6 . . ?
N1 C4 H4B 109.6 . . ?
C3 N1 C4 127.6(4) . . ?
C1 N1 C4 123.0(4) . . ?
C1 N1 C3 109.2(4) . . ?
N1 C3 H3 125.9 . . ?
C2 C3 N1 108.3(4) . . ?
C2 C3 H3 125.9 . . ?
C3 C2 H2 127.0 . . ?
C3 C2 N2 106.0(5) . . ?
N2 C2 H2 127.0 . . ?
C2 N2 C8 132.0(4) . . ?
C1 N2 C2 109.5(4) . . ?
C1 N2 C8 118.1(4) . . ?
N1 C1 Pt1 136.7(4) . . ?
N1 C1 N2 107.0(4) . . ?
N2 C1 Pt1 116.3(3) . . ?
N3 C8 N2 112.0(4) . . ?
N3 C8 C9 123.3(5) . . ?
C9 C8 N2 124.7(4) . . ?
N3 C12 H12 118.8 . . ?
N3 C12 C11 122.5(5) . . ?
C11 C12 H12 118.8 . . ?
C12 C11 H11 120.7 . . ?
C12 C11 C10 118.6(5) . . ?
C10 C11 H11 120.7 . . ?
C11 C10 H10 120.3 . . ?
C9 C10 C11 119.3(5) . . ?
C9 C10 H10 120.3 . . ?
C8 C9 C10 118.6(5) . . ?
C8 C9 H9 120.7 . . ?
C10 C9 H9 120.7 . . ?

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 N3 C8 N2 2.4(5) . . . . ?
Pt1 N3 C8 C9 -178.0(4) . . . . ?
Pt1 N3 C12 C11 178.8(4) . . . . ?
Pt1 C7 C6 C5 107.8(5) . . . . ?
Pt1 C6 C5 C4 53.8(5) . . . . ?
N3 C8 C9 C10 -1.0(7) . . . . ?
N3 C12 C11 C10 -0.7(8) . . . . ?
C7 C6 C5 C4 -28.9(7) . . . . ?
C6 C5 C4 N1 -67.0(6) . . . . ?
C5 C4 N1 C3 -137.6(5) . . . . ?
C5 C4 N1 C1 37.3(6) . . . . ?
C4 N1 C3 C2 175.3(4) . . . . ?
C4 N1 C1 Pt1 2.4(7) . . . . ?
C4 N1 C1 N2 -175.5(4) . . . . ?
N1 C3 C2 N2 0.0(6) . . . . ?
C3 N1 C1 Pt1 178.2(4) . . . . ?
C3 N1 C1 N2 0.2(5) . . . . ?
C3 C2 N2 C1 0.1(5) . . . . ?
C3 C2 N2 C8 -172.8(5) . . . . ?
C2 N2 C1 Pt1 -178.6(3) . . . . ?
C2 N2 C1 N1 -0.2(5) . . . . ?
C2 N2 C8 N3 173.7(4) . . . . ?
C2 N2 C8 C9 -5.9(8) . . . . ?
N2 C8 C9 C10 178.5(4) . . . . ?
C1 N1 C3 C2 -0.1(6) . . . . ?
C1 N2 C8 N3 1.2(6) . . . . ?
C1 N2 C8 C9 -178.3(4) . . . . ?
C8 N3 C12 C11 -0.7(7) . . . . ?
C8 N2 C1 Pt1 -4.6(5) . . . . ?
C8 N2 C1 N1 173.9(4) . . . . ?
C12 N3 C8 N2 -178.0(4) . . . . ?
C12 N3 C8 C9 1.5(7) . . . . ?
C12 C11 C10 C9 1.2(7) . . . . ?
C11 C10 C9 C8 -0.4(7) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 0 electrons were 
found in a volume of 119Å³ in 1 void per unit cell. 
This is consistent with the presence of 
1[H2O] per Asymmetric Unit 
which account for 20 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.764 0.000 0.500 119.1 0.0 '2 water'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_2
_database_code_depnum_ccdc_archive 'CCDC 2181713'
loop_
_audit_author_name
_audit_author_address
'Jitendra Kumar Bera'
;Indian Institute of Technology Kanpur
India
;
_audit_update_record             
;
2022-06-24 deposited with the CCDC.	2022-12-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H27 N3 Pt, 2(F6 P), C H2 Cl2'
_chemical_formula_sum            'C21 H29 Cl2 F12 N3 P2 Pt'
_chemical_formula_weight         879.40
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_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.
;
_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_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.328(2)
_cell_length_b                   14.393(2)
_cell_length_c                   15.469(2)
_cell_angle_alpha                72.190(4)
_cell_angle_beta                 89.773(4)
_cell_angle_gamma                85.898(4)
_cell_volume                     2817.4(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.383
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0870 before and 0.0491 after correction.
 The Ratio of minimum to maximum transmission is 0.59.
 
For component 2:
 wR2(int) was 0.1303 before and 0.0682 after correction.
 The Ratio of minimum to maximum transmission is 0.59.

Final HKLF 4 output contains 53445 reflections, Rint = 0.0650
 (25879 with I > 3sig(I), Rint = 0.0480)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.073
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9828
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        25.048
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         2.045
_diffrn_ambient_temperature      273.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8200
_reflns_number_total             9828
_reflns_special_details          
;
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.732
_refine_diff_density_min         -2.215
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         9828
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0464
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0278P)²+36.5005P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.0978
_refine_special_details          ?
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0(10)
 1(10)
2. 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
3. Uiso/Uaniso restraints and constraints
Uanis(F027) = Uanis(P06) = Uanis(F2) = Uanis(F02A) = Uanis(F02B) = Uanis(F029)
= Uanis(F0) = Uanis(F028) = Uanis(F1)
4. Others
 Sof(F02B)=Sof(F0)=Sof(F1)=Sof(F2)=1-FVAR(1)
 Sof(F027)=Sof(F028)=Sof(F029)=Sof(F02A)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C013(H013), C015(H015), C01D(H01Q), C01E(H01R), C01F(H01S), C01G(H01U),
 C01K(H01K), C01T(H01T)
5.b Secondary CH2 refined with riding coordinates:
 C01A(H01A,H01B), C01C(H01O,H01P), C01I(H01V,H01W), C01L(H01Z,H), C01N(H01D,
 H01E), C01O(H01,HA), C01P(H1,HB), C01Q(H01F,H01G), C01R(H2,HC), C01U(H4,HD),
 C01V(H01I,H01J), C01Y(H01L,H01N), C021(H02M,H02N), C022(H02A,H02B), C023(H02C,
 H02D), C026(H02K,H02L)
5.c Aromatic/amide H refined with riding coordinates:
 C014(H014), C017(H017), C018(H018), C01B(H01C), C01H(H01H), C01J(H01Y),
 C01M(H01M), C01S(H3), C01W(H5), C01X(H01X), C01Z(H6), C020(H020)
5.d Idealised Me refined as rotating group:
 C024(H02H,H02I,H02J), C025(H02E,H02F,H02G)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Pt01 Pt 0.74858(2) 0.25545(2) 0.55394(2) 0.01150(9) Uani 1 1 d . . . . .
Pt02 Pt 0.72584(2) 0.24526(2) 0.06160(2) 0.01165(9) Uani 1 1 d . . . . .
P003 P 0.76862(15) 0.10921(15) 0.34946(13) 0.0155(4) Uani 1 1 d . . . . .
P004 P 0.69974(16) 0.13603(16) 0.83930(14) 0.0178(5) Uani 1 1 d . . . . .
P005 P 0.38696(15) 0.31414(15) 0.29871(14) 0.0158(4) Uani 1 1 d . . . . .
P06 P 1.07208(18) 0.32584(18) 0.79836(17) 0.0297(5) Uani 1 1 d . . . . .
Cl07 Cl 0.52875(17) 0.59420(17) 0.24804(17) 0.0345(5) Uani 1 1 d . . . . .
Cl08 Cl 0.62751(19) 0.7077(2) 0.34512(18) 0.0419(6) Uani 1 1 d . . . . .
Cl09 Cl 0.9913(2) 0.3027(2) 0.26567(18) 0.0531(8) Uani 1 1 d . . . . .
Cl0A Cl 1.0811(2) 0.3973(3) 0.0935(2) 0.0623(9) Uani 1 1 d . . . . .
F00B F 0.6691(3) 0.1210(4) 0.2888(3) 0.0239(11) Uani 1 1 d . . . . .
F00C F 0.7135(4) 0.0435(4) 0.4356(3) 0.0278(12) Uani 1 1 d . . . . .
F00D F 0.3039(3) 0.4016(3) 0.2923(3) 0.0242(11) Uani 1 1 d . . . . .
F00E F 0.7999(3) 0.1431(4) 0.7828(3) 0.0302(12) Uani 1 1 d . . . . .
F00F F 0.4690(3) 0.2255(3) 0.3048(3) 0.0297(12) Uani 1 1 d . . . . .
F00G F 0.8056(4) 0.0141(4) 0.3224(3) 0.0357(13) Uani 1 1 d . . . . .
F00H F 0.8678(3) 0.0982(4) 0.4097(3) 0.0338(13) Uani 1 1 d . . . . .
F00I F 0.7570(4) 0.0652(4) 0.9273(3) 0.0336(13) Uani 1 1 d . . . . .
F00J F 0.7322(5) 0.2045(3) 0.3751(3) 0.0383(14) Uani 1 1 d . . . . .
F00K F 0.3998(4) 0.3524(4) 0.1913(3) 0.0343(13) Uani 1 1 d . . . . .
F00L F 0.6412(4) 0.2060(5) 0.7508(4) 0.0455(15) Uani 1 1 d . . . . .
F00M F 0.2995(4) 0.2480(4) 0.2858(4) 0.0363(13) Uani 1 1 d . . . . .
N00N N 0.6411(4) 0.1553(5) 0.5672(4) 0.0120(13) Uani 1 1 d . . . . .
F00O F 0.4734(4) 0.3798(4) 0.3114(4) 0.0385(14) Uani 1 1 d . . . . .
F00P F 0.5983(4) 0.1288(5) 0.8954(4) 0.0490(16) Uani 1 1 d . . . . .
F00Q F 0.6733(4) 0.0442(4) 0.8088(3) 0.0424(15) Uani 1 1 d . . . . .
F00R F 0.3739(4) 0.2758(4) 0.4057(3) 0.0434(15) Uani 1 1 d . . . . .
F00S F 0.8243(4) 0.1741(4) 0.2624(3) 0.0394(14) Uani 1 1 d . . . . .
F00T F 0.7250(5) 0.2279(4) 0.8686(3) 0.0481(16) Uani 1 1 d . . . . .
N00U N 0.7298(5) 0.0394(5) 0.1298(4) 0.0149(14) Uani 1 1 d . . . . .
N00V N 0.7778(5) 0.0498(4) 0.6279(4) 0.0125(13) Uani 1 1 d . . . . .
N00W N 0.5719(5) 0.0818(5) 0.1321(4) 0.0149(14) Uani 1 1 d . . . . .
N00X N 0.8496(5) 0.1469(5) 0.0722(4) 0.0162(14) Uani 1 1 d . . . . .
F00Y F 0.9938(4) 0.2455(4) 0.8112(5) 0.0592(19) Uani 1 1 d . . . . .
F00Z F 1.1526(5) 0.4044(5) 0.7853(4) 0.0525(17) Uani 1 1 d . . . . .
N010 N 0.9277(5) 0.0932(5) 0.6288(4) 0.0150(14) Uani 1 1 d . . . . .
C011 C 0.8333(6) 0.1287(5) 0.6063(5) 0.0119(16) Uani 1 1 d . . . . .
C012 C 0.6617(6) 0.1179(5) 0.1085(5) 0.0134(16) Uani 1 1 d . . . . .
C013 C 0.8684(6) 0.3561(5) 0.5174(5) 0.0152(17) Uani 1 1 d . . . . .
H013 H 0.934604 0.324172 0.512057 0.018 Uiso 1 1 calc R U . . .
C014 C 0.6125(6) -0.0155(6) 0.6312(5) 0.0163(17) Uani 1 1 d . . . . .
H014 H 0.637891 -0.079361 0.659972 0.020 Uiso 1 1 calc R U . . .
C015 C 0.8405(5) 0.3455(6) 0.6075(5) 0.0164(17) Uani 1 1 d . . . . .
H015 H 0.890934 0.307870 0.653085 0.020 Uiso 1 1 calc R U . . .
C016 C 0.6740(5) 0.0615(5) 0.6098(5) 0.0107(15) Uani 1 1 d . . . . .
C017 C 0.4769(6) 0.1018(6) 0.5632(5) 0.0177(17) Uani 1 1 d . . . . .
H017 H 0.409389 0.116884 0.546067 0.021 Uiso 1 1 calc R U . . .
C018 C 0.5852(6) -0.0202(6) 0.1681(5) 0.0185(17) Uani 1 1 d . . . . .
H018 H 0.534459 -0.062194 0.188947 0.022 Uiso 1 1 calc R U . . .
C019 C 0.8313(5) 0.0526(6) 0.1118(5) 0.0139(16) Uani 1 1 d . . . . .
C01A C 0.7706(6) 0.4139(6) 0.6398(5) 0.0190(18) Uani 1 1 d . . . . .
H01A H 0.808445 0.465937 0.647739 0.023 Uiso 1 1 calc R U . . .
H01B H 0.745446 0.378421 0.698683 0.023 Uiso 1 1 calc R U . . .
C01B C 0.5115(6) 0.0066(6) 0.6080(5) 0.0198(18) Uani 1 1 d . . . . .
H01C H 0.467083 -0.042602 0.622685 0.024 Uiso 1 1 calc R U . . .
C01C C 0.4714(6) 0.1330(6) 0.1205(5) 0.0156(17) Uani 1 1 d . . . . .
H01O H 0.476614 0.199890 0.120364 0.019 Uiso 1 1 calc R U . . .
H01P H 0.429928 0.101094 0.171050 0.019 Uiso 1 1 calc R U . . .
C01D C 0.5934(5) 0.3466(6) 0.0283(5) 0.0171(17) Uani 1 1 d . . . . .
H01Q H 0.532764 0.316767 0.017589 0.021 Uiso 1 1 calc R U . . .
C01E C 0.6172(5) 0.3281(6) 0.1201(6) 0.0190(18) Uani 1 1 d . . . . .
H01R H 0.570179 0.288151 0.161868 0.023 Uiso 1 1 calc R U . . .
C01F C 0.8169(6) 0.3736(5) 0.0556(5) 0.0160(17) Uani 1 1 d . . . . .
H01S H 0.887593 0.355869 0.074541 0.019 Uiso 1 1 calc R U . . .
C01G C 0.7953(6) 0.3743(6) -0.0320(6) 0.0209(18) Uani 1 1 d . . . . .
H01U H 0.853749 0.357189 -0.064244 0.025 Uiso 1 1 calc R U . . .
C01H C 0.5433(6) 0.1745(6) 0.5438(5) 0.0194(18) Uani 1 1 d . . . . .
H01H H 0.519489 0.238616 0.513740 0.023 Uiso 1 1 calc R U . . .
C01I C 0.7121(6) 0.4364(6) -0.0938(5) 0.0217(19) Uani 1 1 d . . . . .
H01V H 0.701843 0.410006 -0.143509 0.026 Uiso 1 1 calc R U . . .
H01W H 0.733105 0.502208 -0.119539 0.026 Uiso 1 1 calc R U . . .
C01J C 0.6831(6) -0.0467(6) 0.1674(5) 0.0193(18) Uani 1 1 d . . . . .
H01Y H 0.713728 -0.109864 0.187791 0.023 Uiso 1 1 calc R U . . .
C01K C 0.6392(5) 0.3886(6) 0.5334(5) 0.0162(17) Uani 1 1 d . . . . .
H01K H 0.570100 0.373154 0.550633 0.019 Uiso 1 1 calc R U . . .
C01L C 0.6755(6) 0.3912(6) 0.1602(6) 0.025(2) Uani 1 1 d . . . . .
H01Z H 0.702476 0.351449 0.219126 0.030 Uiso 1 1 calc R U . . .
H H 0.629424 0.442225 0.169961 0.030 Uiso 1 1 calc R U . . .
C01M C 0.9313(6) -0.0078(6) 0.6636(5) 0.0176(17) Uani 1 1 d . . . . .
H01M H 0.988946 -0.049252 0.683360 0.021 Uiso 1 1 calc R U . . .
C01N C 1.1586(6) 0.2038(6) 0.5011(6) 0.026(2) Uani 1 1 d . . . . .
H01D H 1.204661 0.173715 0.551940 0.031 Uiso 1 1 calc R U . . .
H01E H 1.189235 0.193567 0.447421 0.031 Uiso 1 1 calc R U . . .
C01O C 0.7616(6) 0.4388(6) 0.1026(6) 0.0243(19) Uani 1 1 d . . . . .
H01 H 0.735106 0.498263 0.057195 0.029 Uiso 1 1 calc R U . . .
HA H 0.808788 0.457092 0.141058 0.029 Uiso 1 1 calc R U . . .
C01P C 0.4220(6) 0.1331(6) 0.0324(6) 0.0215(18) Uani 1 1 d . . . . .
H1 H 0.420523 0.066294 0.030993 0.026 Uiso 1 1 calc R U . . .
HB H 0.461481 0.168322 -0.018312 0.026 Uiso 1 1 calc R U . . .
C01Q C 0.8387(6) 0.4448(6) 0.4372(5) 0.0179(17) Uani 1 1 d . . . . .
H01F H 0.893572 0.456722 0.394812 0.022 Uiso 1 1 calc R U . . .
H01G H 0.827322 0.501594 0.458239 0.022 Uiso 1 1 calc R U . . .
C01R C 0.3144(6) 0.1811(6) 0.0220(6) 0.027(2) Uani 1 1 d . . . . .
H2 H 0.280330 0.166448 -0.027052 0.032 Uiso 1 1 calc R U . . .
HC H 0.278459 0.152484 0.077411 0.032 Uiso 1 1 calc R U . . .
C01S C 1.0236(6) 0.0954(6) 0.0697(5) 0.0214(19) Uani 1 1 d . . . . .
H3 H 1.089013 0.111652 0.054387 0.026 Uiso 1 1 calc R U . . .
C01T C 0.6655(6) 0.3795(6) 0.4493(5) 0.0186(18) Uani 1 1 d . . . . .
H01T H 0.611298 0.359755 0.417631 0.022 Uiso 1 1 calc R U . . .
C01U C 0.6123(6) 0.4415(6) -0.0461(6) 0.0229(19) Uani 1 1 d . . . . .
H4 H 0.557955 0.456576 -0.090867 0.027 Uiso 1 1 calc R U . . .
HD H 0.611559 0.494447 -0.019532 0.027 Uiso 1 1 calc R U . . .
C01V C 1.0187(5) 0.1481(6) 0.6117(5) 0.0171(17) Uani 1 1 d . . . . .
H01I H 1.068985 0.116794 0.658686 0.021 Uiso 1 1 calc R U . . .
H01J H 1.002326 0.214137 0.613778 0.021 Uiso 1 1 calc R U . . .
C01W C 1.0034(6) -0.0008(6) 0.1116(5) 0.0220(18) Uani 1 1 d . . . . .
H5 H 1.055285 -0.050043 0.125760 0.026 Uiso 1 1 calc R U . . .
C01X C 0.8384(6) -0.0351(6) 0.6639(5) 0.0164(17) Uani 1 1 d . . . . .
H01X H 0.818148 -0.098606 0.684145 0.020 Uiso 1 1 calc R U . . .
C01Y C 0.6810(6) 0.4597(6) 0.5756(6) 0.0235(19) Uani 1 1 d . . . . .
H01L H 0.628344 0.482809 0.609149 0.028 Uiso 1 1 calc R U . . .
H01N H 0.701862 0.515759 0.527855 0.028 Uiso 1 1 calc R U . . .
C01Z C 0.9055(6) -0.0229(6) 0.1322(5) 0.0180(17) Uani 1 1 d . . . . .
H6 H 0.889964 -0.087211 0.159193 0.022 Uiso 1 1 calc R U . . .
C020 C 0.9450(6) 0.1667(6) 0.0509(5) 0.0200(18) Uani 1 1 d . . . . .
H020 H 0.958756 0.231203 0.022293 0.024 Uiso 1 1 calc R U . . .
C021 C 1.0783(7) 0.3867(7) 0.2089(7) 0.036(2) Uani 1 1 d . . . . .
H02M H 1.059593 0.450245 0.216197 0.043 Uiso 1 1 calc R U . . .
H02N H 1.144809 0.364945 0.235820 0.043 Uiso 1 1 calc R U . . .
C022 C 1.0615(6) 0.1520(6) 0.5186(5) 0.0209(18) Uani 1 1 d . . . . .
H02A H 1.074263 0.085843 0.515581 0.025 Uiso 1 1 calc R U . . .
H02B H 1.012136 0.186032 0.471592 0.025 Uiso 1 1 calc R U . . .
C023 C 0.7437(6) 0.4323(6) 0.3880(5) 0.0228(19) Uani 1 1 d . . . . .
H02C H 0.714669 0.496441 0.353101 0.027 Uiso 1 1 calc R U . . .
H02D H 0.762603 0.396736 0.345613 0.027 Uiso 1 1 calc R U . . .
C024 C 0.3095(6) 0.2902(6) 0.0029(6) 0.028(2) Uani 1 1 d . . . . .
H02H H 0.350425 0.318557 -0.048235 0.042 Uiso 1 1 calc R U . . .
H02I H 0.333736 0.305167 0.055123 0.042 Uiso 1 1 calc R U . . .
H02J H 0.241061 0.316618 -0.010364 0.042 Uiso 1 1 calc R U . . .
C025 C 1.1458(6) 0.3128(6) 0.4876(7) 0.030(2) Uani 1 1 d . . . . .
H02E H 1.098609 0.343180 0.438748 0.045 Uiso 1 1 calc R U . . .
H02F H 1.209532 0.340458 0.473278 0.045 Uiso 1 1 calc R U . . .
H02G H 1.121282 0.323761 0.542396 0.045 Uiso 1 1 calc R U . . .
C026 C 0.5947(7) 0.6989(7) 0.2380(6) 0.032(2) Uani 1 1 d . . . . .
H02K H 0.655234 0.695880 0.203639 0.038 Uiso 1 1 calc R U . . .
H02L H 0.553121 0.756877 0.204871 0.038 Uiso 1 1 calc R U . . .
F027 F 1.0693(7) 0.3104(7) 0.9034(6) 0.0297(5) Uani 0.551(4) 1 d . . P A 1
F028 F 1.1669(7) 0.2514(6) 0.8155(6) 0.0297(5) Uani 0.551(4) 1 d . . P A 1
F029 F 1.0698(7) 0.3464(7) 0.6917(6) 0.0297(5) Uani 0.551(4) 1 d . . P A 1
F02A F 0.9736(7) 0.3997(6) 0.7843(6) 0.0297(5) Uani 0.551(4) 1 d . . P A 1
F02B F 1.0070(8) 0.4079(8) 0.7257(8) 0.0297(5) Uani 0.449(4) 1 d . . P A 2
F0 F 1.1135(8) 0.2818(8) 0.7247(8) 0.0297(5) Uani 0.449(4) 1 d . . P A 2
F1 F 1.1334(8) 0.2446(8) 0.8797(8) 0.0297(5) Uani 0.449(4) 1 d . . P A 2
F2 F 1.0344(8) 0.3692(9) 0.8784(8) 0.0297(5) Uani 0.449(4) 1 d . . P A 2


_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
Pt01 N00N 2.069(6) . ?
Pt01 C011 2.017(7) . ?
Pt01 C013 2.189(7) . ?
Pt01 C015 2.182(7) . ?
Pt01 C01K 2.265(7) . ?
Pt01 C01T 2.236(7) . ?
Pt02 N00X 2.068(6) . ?
Pt02 C012 2.006(7) . ?
Pt02 C01D 2.165(7) . ?
Pt02 C01E 2.177(7) . ?
Pt02 C01F 2.260(7) . ?
Pt02 C01G 2.235(7) . ?
P003 F00B 1.596(5) . ?
P003 F00C 1.591(5) . ?
P003 F00G 1.595(5) . ?
P003 F00H 1.590(5) . ?
P003 F00J 1.585(5) . ?
P003 F00S 1.600(5) . ?
P004 F00E 1.586(5) . ?
P004 F00I 1.588(5) . ?
P004 F00L 1.596(6) . ?
P004 F00P 1.596(5) . ?
P004 F00Q 1.594(5) . ?
P004 F00T 1.580(6) . ?
P005 F00D 1.596(5) . ?
P005 F00F 1.600(5) . ?
P005 F00K 1.595(5) . ?
P005 F00M 1.607(5) . ?
P005 F00O 1.591(5) . ?
P005 F00R 1.590(5) . ?
P06 F00Y 1.580(6) . ?
P06 F00Z 1.582(6) . ?
P06 F027 1.571(9) . ?
P06 F028 1.565(9) . ?
P06 F029 1.585(9) . ?
P06 F02A 1.601(9) . ?
P06 F02B 1.569(11) . ?
P06 F0 1.547(11) . ?
P06 F1 1.609(11) . ?
P06 F2 1.611(12) . ?
Cl07 C026 1.764(9) . ?
Cl08 C026 1.760(10) . ?
Cl09 C021 1.766(9) . ?
Cl0A C021 1.745(10) . ?
N00N C016 1.351(9) . ?
N00N C01H 1.341(10) . ?
N00U C012 1.356(10) . ?
N00U C019 1.395(10) . ?
N00U C01J 1.389(10) . ?
N00V C011 1.355(9) . ?
N00V C016 1.400(9) . ?
N00V C01X 1.379(10) . ?
N00W C012 1.343(10) . ?
N00W C018 1.399(10) . ?
N00W C01C 1.467(10) . ?
N00X C019 1.347(10) . ?
N00X C020 1.341(10) . ?
N010 C011 1.329(10) . ?
N010 C01M 1.385(10) . ?
N010 C01V 1.474(9) . ?
C013 H013 0.9800 . ?
C013 C015 1.407(11) . ?
C013 C01Q 1.514(10) . ?
C014 H014 0.9300 . ?
C014 C016 1.383(10) . ?
C014 C01B 1.383(11) . ?
C015 H015 0.9800 . ?
C015 C01A 1.500(11) . ?
C017 H017 0.9300 . ?
C017 C01B 1.379(11) . ?
C017 C01H 1.381(11) . ?
C018 H018 0.9300 . ?
C018 C01J 1.334(11) . ?
C019 C01Z 1.378(11) . ?
C01A H01A 0.9700 . ?
C01A H01B 0.9700 . ?
C01A C01Y 1.530(11) . ?
C01B H01C 0.9300 . ?
C01C H01O 0.9700 . ?
C01C H01P 0.9700 . ?
C01C C01P 1.515(11) . ?
C01D H01Q 0.9800 . ?
C01D C01E 1.396(11) . ?
C01D C01U 1.529(11) . ?
C01E H01R 0.9800 . ?
C01E C01L 1.504(11) . ?
C01F H01S 0.9800 . ?
C01F C01G 1.383(11) . ?
C01F C01O 1.507(11) . ?
C01G H01U 0.9800 . ?
C01G C01I 1.512(11) . ?
C01H H01H 0.9300 . ?
C01I H01V 0.9700 . ?
C01I H01W 0.9700 . ?
C01I C01U 1.526(12) . ?
C01J H01Y 0.9300 . ?
C01K H01K 0.9800 . ?
C01K C01T 1.388(11) . ?
C01K C01Y 1.509(11) . ?
C01L H01Z 0.9700 . ?
C01L H 0.9700 . ?
C01L C01O 1.521(12) . ?
C01M H01M 0.9300 . ?
C01M C01X 1.326(11) . ?
C01N H01D 0.9700 . ?
C01N H01E 0.9700 . ?
C01N C022 1.522(11) . ?
C01N C025 1.515(12) . ?
C01O H01 0.9700 . ?
C01O HA 0.9700 . ?
C01P H1 0.9700 . ?
C01P HB 0.9700 . ?
C01P C01R 1.533(11) . ?
C01Q H01F 0.9700 . ?
C01Q H01G 0.9700 . ?
C01Q C023 1.528(11) . ?
C01R H2 0.9700 . ?
C01R HC 0.9700 . ?
C01R C024 1.504(12) . ?
C01S H3 0.9300 . ?
C01S C01W 1.383(12) . ?
C01S C020 1.379(11) . ?
C01T H01T 0.9800 . ?
C01T C023 1.492(11) . ?
C01U H4 0.9700 . ?
C01U HD 0.9700 . ?
C01V H01I 0.9700 . ?
C01V H01J 0.9700 . ?
C01V C022 1.533(11) . ?
C01W H5 0.9300 . ?
C01W C01Z 1.377(11) . ?
C01X H01X 0.9300 . ?
C01Y H01L 0.9700 . ?
C01Y H01N 0.9700 . ?
C01Z H6 0.9300 . ?
C020 H020 0.9300 . ?
C021 H02M 0.9700 . ?
C021 H02N 0.9700 . ?
C022 H02A 0.9700 . ?
C022 H02B 0.9700 . ?
C023 H02C 0.9700 . ?
C023 H02D 0.9700 . ?
C024 H02H 0.9600 . ?
C024 H02I 0.9600 . ?
C024 H02J 0.9600 . ?
C025 H02E 0.9600 . ?
C025 H02F 0.9600 . ?
C025 H02G 0.9600 . ?
C026 H02K 0.9700 . ?
C026 H02L 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
N00N Pt01 C013 169.9(3) . . ?
N00N Pt01 C015 152.3(3) . . ?
N00N Pt01 C01K 96.4(3) . . ?
N00N Pt01 C01T 96.9(3) . . ?
C011 Pt01 N00N 79.3(3) . . ?
C011 Pt01 C013 99.3(3) . . ?
C011 Pt01 C015 96.5(3) . . ?
C011 Pt01 C01K 164.8(3) . . ?
C011 Pt01 C01T 158.5(3) . . ?
C013 Pt01 C01K 87.4(3) . . ?
C013 Pt01 C01T 80.7(3) . . ?
C015 Pt01 C013 37.6(3) . . ?
C015 Pt01 C01K 80.4(3) . . ?
C015 Pt01 C01T 96.2(3) . . ?
C01T Pt01 C01K 35.9(3) . . ?
N00X Pt02 C01D 170.6(3) . . ?
N00X Pt02 C01E 151.8(3) . . ?
N00X Pt02 C01F 94.9(3) . . ?
N00X Pt02 C01G 96.3(3) . . ?
C012 Pt02 N00X 79.3(3) . . ?
C012 Pt02 C01D 100.5(3) . . ?
C012 Pt02 C01E 95.6(3) . . ?
C012 Pt02 C01F 161.4(3) . . ?
C012 Pt02 C01G 161.5(3) . . ?
C01D Pt02 C01E 37.5(3) . . ?
C01D Pt02 C01F 88.1(3) . . ?
C01D Pt02 C01G 81.0(3) . . ?
C01E Pt02 C01F 81.2(3) . . ?
C01E Pt02 C01G 96.5(3) . . ?
C01G Pt02 C01F 35.8(3) . . ?
F00B P003 F00S 89.4(3) . . ?
F00C P003 F00B 90.5(3) . . ?
F00C P003 F00G 90.4(3) . . ?
F00C P003 F00S 179.3(3) . . ?
F00G P003 F00B 89.7(3) . . ?
F00G P003 F00S 88.8(3) . . ?
F00H P003 F00B 179.6(3) . . ?
F00H P003 F00C 89.8(3) . . ?
F00H P003 F00G 90.6(3) . . ?
F00H P003 F00S 90.3(3) . . ?
F00J P003 F00B 90.1(3) . . ?
F00J P003 F00C 90.2(3) . . ?
F00J P003 F00G 179.3(3) . . ?
F00J P003 F00H 89.6(3) . . ?
F00J P003 F00S 90.5(3) . . ?
F00E P004 F00I 91.1(3) . . ?
F00E P004 F00L 89.3(3) . . ?
F00E P004 F00P 179.5(3) . . ?
F00E P004 F00Q 89.6(3) . . ?
F00I P004 F00L 179.2(3) . . ?
F00I P004 F00P 89.3(3) . . ?
F00I P004 F00Q 90.3(3) . . ?
F00P P004 F00L 90.3(3) . . ?
F00Q P004 F00L 88.9(3) . . ?
F00Q P004 F00P 90.0(3) . . ?
F00T P004 F00E 90.5(3) . . ?
F00T P004 F00I 90.3(3) . . ?
F00T P004 F00L 90.4(3) . . ?
F00T P004 F00P 89.9(3) . . ?
F00T P004 F00Q 179.3(4) . . ?
F00D P005 F00F 179.2(3) . . ?
F00D P005 F00M 89.2(3) . . ?
F00F P005 F00M 89.9(3) . . ?
F00K P005 F00D 90.2(3) . . ?
F00K P005 F00F 89.7(3) . . ?
F00K P005 F00M 89.8(3) . . ?
F00O P005 F00D 90.7(3) . . ?
F00O P005 F00F 90.2(3) . . ?
F00O P005 F00K 90.1(3) . . ?
F00O P005 F00M 179.9(4) . . ?
F00R P005 F00D 89.8(3) . . ?
F00R P005 F00F 90.3(3) . . ?
F00R P005 F00K 179.8(4) . . ?
F00R P005 F00M 90.0(3) . . ?
F00R P005 F00O 90.0(3) . . ?
F00Y P06 F00Z 178.6(4) . . ?
F00Y P06 F029 91.1(4) . . ?
F00Y P06 F02A 83.9(4) . . ?
F00Y P06 F1 84.4(5) . . ?
F00Y P06 F2 98.2(5) . . ?
F00Z P06 F029 88.6(4) . . ?
F00Z P06 F02A 97.5(4) . . ?
F00Z P06 F1 94.8(5) . . ?
F00Z P06 F2 82.8(5) . . ?
F027 P06 F00Y 89.0(4) . . ?
F027 P06 F00Z 91.3(4) . . ?
F027 P06 F029 176.6(5) . . ?
F027 P06 F02A 89.7(5) . . ?
F028 P06 F00Y 94.9(4) . . ?
F028 P06 F00Z 83.8(4) . . ?
F028 P06 F027 88.5(5) . . ?
F028 P06 F029 94.8(5) . . ?
F028 P06 F02A 177.9(5) . . ?
F029 P06 F02A 87.0(5) . . ?
F02B P06 F00Y 95.3(5) . . ?
F02B P06 F00Z 85.7(5) . . ?
F02B P06 F1 174.9(6) . . ?
F02B P06 F2 91.6(6) . . ?
F0 P06 F00Y 82.9(5) . . ?
F0 P06 F00Z 96.1(5) . . ?
F0 P06 F02B 91.3(6) . . ?
F0 P06 F1 93.7(6) . . ?
F0 P06 F2 176.9(6) . . ?
F1 P06 F2 83.5(6) . . ?
C016 N00N Pt01 114.7(5) . . ?
C01H N00N Pt01 127.2(5) . . ?
C01H N00N C016 117.9(6) . . ?
C012 N00U C019 119.8(6) . . ?
C012 N00U C01J 110.9(6) . . ?
C01J N00U C019 129.2(7) . . ?
C011 N00V C016 120.2(6) . . ?
C011 N00V C01X 110.6(6) . . ?
C01X N00V C016 129.1(6) . . ?
C012 N00W C018 109.2(6) . . ?
C012 N00W C01C 129.4(6) . . ?
C018 N00W C01C 121.3(6) . . ?
C019 N00X Pt02 114.5(5) . . ?
C020 N00X Pt02 127.8(5) . . ?
C020 N00X C019 117.4(7) . . ?
C011 N010 C01M 109.8(6) . . ?
C011 N010 C01V 127.1(6) . . ?
C01M N010 C01V 122.8(6) . . ?
N00V C011 Pt01 112.5(5) . . ?
N010 C011 Pt01 142.0(5) . . ?
N010 C011 N00V 105.5(6) . . ?
N00U C012 Pt02 112.7(5) . . ?
N00W C012 Pt02 141.4(6) . . ?
N00W C012 N00U 105.7(6) . . ?
Pt01 C013 H013 113.9 . . ?
C015 C013 Pt01 71.0(4) . . ?
C015 C013 H013 113.9 . . ?
C015 C013 C01Q 124.4(7) . . ?
C01Q C013 Pt01 112.1(5) . . ?
C01Q C013 H013 113.9 . . ?
C016 C014 H014 121.4 . . ?
C016 C014 C01B 117.2(7) . . ?
C01B C014 H014 121.4 . . ?
Pt01 C015 H015 113.9 . . ?
C013 C015 Pt01 71.5(4) . . ?
C013 C015 H015 113.9 . . ?
C013 C015 C01A 126.9(7) . . ?
C01A C015 Pt01 107.7(5) . . ?
C01A C015 H015 113.9 . . ?
N00N C016 N00V 112.8(6) . . ?
N00N C016 C014 123.7(7) . . ?
C014 C016 N00V 123.4(7) . . ?
C01B C017 H017 120.3 . . ?
C01B C017 C01H 119.4(7) . . ?
C01H C017 H017 120.3 . . ?
N00W C018 H018 125.8 . . ?
C01J C018 N00W 108.3(7) . . ?
C01J C018 H018 125.8 . . ?
N00X C019 N00U 113.1(6) . . ?
N00X C019 C01Z 123.3(7) . . ?
C01Z C019 N00U 123.6(7) . . ?
C015 C01A H01A 108.7 . . ?
C015 C01A H01B 108.7 . . ?
C015 C01A C01Y 114.2(6) . . ?
H01A C01A H01B 107.6 . . ?
C01Y C01A H01A 108.7 . . ?
C01Y C01A H01B 108.7 . . ?
C014 C01B H01C 120.1 . . ?
C017 C01B C014 119.9(7) . . ?
C017 C01B H01C 120.1 . . ?
N00W C01C H01O 109.5 . . ?
N00W C01C H01P 109.5 . . ?
N00W C01C C01P 110.9(6) . . ?
H01O C01C H01P 108.0 . . ?
C01P C01C H01O 109.5 . . ?
C01P C01C H01P 109.5 . . ?
Pt02 C01D H01Q 113.6 . . ?
C01E C01D Pt02 71.7(4) . . ?
C01E C01D H01Q 113.6 . . ?
C01E C01D C01U 124.4(7) . . ?
C01U C01D Pt02 112.6(5) . . ?
C01U C01D H01Q 113.6 . . ?
Pt02 C01E H01R 114.4 . . ?
C01D C01E Pt02 70.8(4) . . ?
C01D C01E H01R 114.4 . . ?
C01D C01E C01L 126.2(8) . . ?
C01L C01E Pt02 107.2(5) . . ?
C01L C01E H01R 114.4 . . ?
Pt02 C01F H01S 114.6 . . ?
C01G C01F Pt02 71.1(4) . . ?
C01G C01F H01S 114.6 . . ?
C01G C01F C01O 124.1(7) . . ?
C01O C01F Pt02 109.6(5) . . ?
C01O C01F H01S 114.6 . . ?
Pt02 C01G H01U 114.0 . . ?
C01F C01G Pt02 73.1(4) . . ?
C01F C01G H01U 114.0 . . ?
C01F C01G C01I 126.3(8) . . ?
C01I C01G Pt02 107.1(5) . . ?
C01I C01G H01U 114.0 . . ?
N00N C01H C017 121.9(7) . . ?
N00N C01H H01H 119.1 . . ?
C017 C01H H01H 119.1 . . ?
C01G C01I H01V 108.8 . . ?
C01G C01I H01W 108.8 . . ?
C01G C01I C01U 113.7(6) . . ?
H01V C01I H01W 107.7 . . ?
C01U C01I H01V 108.8 . . ?
C01U C01I H01W 108.8 . . ?
N00U C01J H01Y 127.1 . . ?
C018 C01J N00U 105.8(7) . . ?
C018 C01J H01Y 127.1 . . ?
Pt01 C01K H01K 114.1 . . ?
C01T C01K Pt01 70.9(4) . . ?
C01T C01K H01K 114.1 . . ?
C01T C01K C01Y 125.1(7) . . ?
C01Y C01K Pt01 110.4(5) . . ?
C01Y C01K H01K 114.1 . . ?
C01E C01L H01Z 108.6 . . ?
C01E C01L H 108.6 . . ?
C01E C01L C01O 114.7(7) . . ?
H01Z C01L H 107.6 . . ?
C01O C01L H01Z 108.6 . . ?
C01O C01L H 108.6 . . ?
N010 C01M H01M 125.9 . . ?
C01X C01M N010 108.2(7) . . ?
C01X C01M H01M 125.9 . . ?
H01D C01N H01E 107.6 . . ?
C022 C01N H01D 108.6 . . ?
C022 C01N H01E 108.6 . . ?
C025 C01N H01D 108.6 . . ?
C025 C01N H01E 108.6 . . ?
C025 C01N C022 114.7(7) . . ?
C01F C01O C01L 113.3(7) . . ?
C01F C01O H01 108.9 . . ?
C01F C01O HA 108.9 . . ?
C01L C01O H01 108.9 . . ?
C01L C01O HA 108.9 . . ?
H01 C01O HA 107.7 . . ?
C01C C01P H1 109.3 . . ?
C01C C01P HB 109.3 . . ?
C01C C01P C01R 111.5(7) . . ?
H1 C01P HB 108.0 . . ?
C01R C01P H1 109.3 . . ?
C01R C01P HB 109.3 . . ?
C013 C01Q H01F 109.1 . . ?
C013 C01Q H01G 109.1 . . ?
C013 C01Q C023 112.4(6) . . ?
H01F C01Q H01G 107.8 . . ?
C023 C01Q H01F 109.1 . . ?
C023 C01Q H01G 109.1 . . ?
C01P C01R H2 108.8 . . ?
C01P C01R HC 108.8 . . ?
H2 C01R HC 107.7 . . ?
C024 C01R C01P 113.6(7) . . ?
C024 C01R H2 108.8 . . ?
C024 C01R HC 108.8 . . ?
C01W C01S H3 120.6 . . ?
C020 C01S H3 120.6 . . ?
C020 C01S C01W 118.8(8) . . ?
Pt01 C01T H01T 114.1 . . ?
C01K C01T Pt01 73.2(4) . . ?
C01K C01T H01T 114.1 . . ?
C01K C01T C023 126.7(7) . . ?
C023 C01T Pt01 105.9(5) . . ?
C023 C01T H01T 114.1 . . ?
C01D C01U H4 108.9 . . ?
C01D C01U HD 108.9 . . ?
C01I C01U C01D 113.3(6) . . ?
C01I C01U H4 108.9 . . ?
C01I C01U HD 108.9 . . ?
H4 C01U HD 107.7 . . ?
N010 C01V H01I 109.5 . . ?
N010 C01V H01J 109.5 . . ?
N010 C01V C022 110.5(6) . . ?
H01I C01V H01J 108.1 . . ?
C022 C01V H01I 109.5 . . ?
C022 C01V H01J 109.5 . . ?
C01S C01W H5 120.4 . . ?
C01Z C01W C01S 119.3(8) . . ?
C01Z C01W H5 120.4 . . ?
N00V C01X H01X 127.0 . . ?
C01M C01X N00V 105.9(7) . . ?
C01M C01X H01X 127.0 . . ?
C01A C01Y H01L 109.1 . . ?
C01A C01Y H01N 109.1 . . ?
C01K C01Y C01A 112.5(7) . . ?
C01K C01Y H01L 109.1 . . ?
C01K C01Y H01N 109.1 . . ?
H01L C01Y H01N 107.8 . . ?
C019 C01Z H6 120.8 . . ?
C01W C01Z C019 118.4(8) . . ?
C01W C01Z H6 120.8 . . ?
N00X C020 C01S 122.8(7) . . ?
N00X C020 H020 118.6 . . ?
C01S C020 H020 118.6 . . ?
Cl09 C021 H02M 109.5 . . ?
Cl09 C021 H02N 109.5 . . ?
Cl0A C021 Cl09 110.9(5) . . ?
Cl0A C021 H02M 109.5 . . ?
Cl0A C021 H02N 109.5 . . ?
H02M C021 H02N 108.0 . . ?
C01N C022 C01V 111.7(7) . . ?
C01N C022 H02A 109.3 . . ?
C01N C022 H02B 109.3 . . ?
C01V C022 H02A 109.3 . . ?
C01V C022 H02B 109.3 . . ?
H02A C022 H02B 107.9 . . ?
C01Q C023 H02C 108.7 . . ?
C01Q C023 H02D 108.7 . . ?
C01T C023 C01Q 114.4(6) . . ?
C01T C023 H02C 108.7 . . ?
C01T C023 H02D 108.7 . . ?
H02C C023 H02D 107.6 . . ?
C01R C024 H02H 109.5 . . ?
C01R C024 H02I 109.5 . . ?
C01R C024 H02J 109.5 . . ?
H02H C024 H02I 109.5 . . ?
H02H C024 H02J 109.5 . . ?
H02I C024 H02J 109.5 . . ?
C01N C025 H02E 109.5 . . ?
C01N C025 H02F 109.5 . . ?
C01N C025 H02G 109.5 . . ?
H02E C025 H02F 109.5 . . ?
H02E C025 H02G 109.5 . . ?
H02F C025 H02G 109.5 . . ?
Cl07 C026 H02K 109.3 . . ?
Cl07 C026 H02L 109.3 . . ?
Cl08 C026 Cl07 111.5(5) . . ?
Cl08 C026 H02K 109.3 . . ?
Cl08 C026 H02L 109.3 . . ?
H02K C026 H02L 108.0 . . ?

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
Pt01 N00N C016 N00V -6.4(7) . . . . ?
Pt01 N00N C016 C014 175.2(6) . . . . ?
Pt01 N00N C01H C017 -174.4(6) . . . . ?
Pt01 C013 C015 C01A -98.6(7) . . . . ?
Pt01 C013 C01Q C023 -13.0(8) . . . . ?
Pt01 C015 C01A C01Y -42.6(8) . . . . ?
Pt01 C01K C01T C023 -97.5(8) . . . . ?
Pt01 C01K C01Y C01A -14.1(8) . . . . ?
Pt01 C01T C023 C01Q -41.8(8) . . . . ?
Pt02 N00X C019 N00U 6.0(8) . . . . ?
Pt02 N00X C019 C01Z -174.2(6) . . . . ?
Pt02 N00X C020 C01S 173.0(6) . . . . ?
Pt02 C01D C01E C01L 97.6(7) . . . . ?
Pt02 C01D C01U C01I 11.6(9) . . . . ?
Pt02 C01E C01L C01O 41.2(9) . . . . ?
Pt02 C01F C01G C01I 99.0(7) . . . . ?
Pt02 C01F C01O C01L 14.1(9) . . . . ?
Pt02 C01G C01I C01U 38.4(8) . . . . ?
N00U C019 C01Z C01W -179.7(7) . . . . ?
N00W C018 C01J N00U -0.6(9) . . . . ?
N00W C01C C01P C01R 176.6(6) . . . . ?
N00X C019 C01Z C01W 0.5(11) . . . . ?
N010 C01M C01X N00V 0.7(9) . . . . ?
N010 C01V C022 C01N -177.1(7) . . . . ?
C011 N00V C016 N00N 2.6(9) . . . . ?
C011 N00V C016 C014 -179.0(7) . . . . ?
C011 N00V C01X C01M -0.4(9) . . . . ?
C011 N010 C01M C01X -0.8(9) . . . . ?
C011 N010 C01V C022 -88.7(9) . . . . ?
C012 N00U C019 N00X -0.9(9) . . . . ?
C012 N00U C019 C01Z 179.3(7) . . . . ?
C012 N00U C01J C018 0.5(9) . . . . ?
C012 N00W C018 C01J 0.5(9) . . . . ?
C012 N00W C01C C01P 92.9(9) . . . . ?
C013 C015 C01A C01Y 37.2(11) . . . . ?
C013 C01Q C023 C01T 38.0(10) . . . . ?
C015 C013 C01Q C023 -94.4(9) . . . . ?
C015 C01A C01Y C01K 38.5(10) . . . . ?
C016 N00N C01H C017 0.8(11) . . . . ?
C016 N00V C011 Pt01 2.5(8) . . . . ?
C016 N00V C011 N010 -177.9(6) . . . . ?
C016 N00V C01X C01M 177.2(7) . . . . ?
C016 C014 C01B C017 1.8(11) . . . . ?
C018 N00W C012 Pt02 -174.9(7) . . . . ?
C018 N00W C012 N00U -0.2(8) . . . . ?
C018 N00W C01C C01P -83.4(8) . . . . ?
C019 N00U C012 Pt02 -4.7(8) . . . . ?
C019 N00U C012 N00W 178.9(6) . . . . ?
C019 N00U C01J C018 -178.5(7) . . . . ?
C019 N00X C020 C01S -1.4(11) . . . . ?
C01B C014 C016 N00N -0.8(11) . . . . ?
C01B C014 C016 N00V -178.9(7) . . . . ?
C01B C017 C01H N00N 0.2(12) . . . . ?
C01C N00W C012 Pt02 8.5(13) . . . . ?
C01C N00W C012 N00U -176.8(7) . . . . ?
C01C N00W C018 C01J 177.5(7) . . . . ?
C01C C01P C01R C024 71.6(9) . . . . ?
C01D C01E C01L C01O -37.2(11) . . . . ?
C01E C01D C01U C01I 94.4(9) . . . . ?
C01E C01L C01O C01F -37.9(10) . . . . ?
C01F C01G C01I C01U -42.8(11) . . . . ?
C01G C01F C01O C01L 94.1(9) . . . . ?
C01G C01I C01U C01D -34.3(10) . . . . ?
C01H N00N C016 N00V 177.8(6) . . . . ?
C01H N00N C016 C014 -0.5(11) . . . . ?
C01H C017 C01B C014 -1.6(12) . . . . ?
C01J N00U C012 Pt02 176.2(5) . . . . ?
C01J N00U C012 N00W -0.2(8) . . . . ?
C01J N00U C019 N00X 178.0(7) . . . . ?
C01J N00U C019 C01Z -1.8(12) . . . . ?
C01K C01T C023 C01Q 38.8(11) . . . . ?
C01M N010 C011 Pt01 179.9(7) . . . . ?
C01M N010 C011 N00V 0.6(8) . . . . ?
C01M N010 C01V C022 84.3(9) . . . . ?
C01O C01F C01G Pt02 -101.4(7) . . . . ?
C01O C01F C01G C01I -2.4(12) . . . . ?
C01Q C013 C015 Pt01 104.2(7) . . . . ?
C01Q C013 C015 C01A 5.6(12) . . . . ?
C01S C01W C01Z C019 -1.4(11) . . . . ?
C01T C01K C01Y C01A -94.6(9) . . . . ?
C01U C01D C01E Pt02 -105.3(7) . . . . ?
C01U C01D C01E C01L -7.7(12) . . . . ?
C01V N010 C011 Pt01 -6.4(13) . . . . ?
C01V N010 C011 N00V 174.3(7) . . . . ?
C01V N010 C01M C01X -174.9(7) . . . . ?
C01W C01S C020 N00X 0.5(12) . . . . ?
C01X N00V C011 Pt01 -179.7(5) . . . . ?
C01X N00V C011 N010 -0.1(8) . . . . ?
C01X N00V C016 N00N -174.7(7) . . . . ?
C01X N00V C016 C014 3.6(12) . . . . ?
C01Y C01K C01T Pt01 102.0(7) . . . . ?
C01Y C01K C01T C023 4.4(13) . . . . ?
C020 N00X C019 N00U -178.9(6) . . . . ?
C020 N00X C019 C01Z 0.9(11) . . . . ?
C020 C01S C01W C01Z 1.0(12) . . . . ?
C025 C01N C022 C01V -69.1(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0(10)
2 1(10)
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2181714'
loop_
_audit_author_name
_audit_author_address
'Jitendra Kumar Bera'
;Indian Institute of Technology Kanpur
India
;
_audit_update_record             
;
2022-06-24 deposited with the CCDC.	2022-12-13 downloaded from the CCDC.
;
_audit_creation_date             2022-06-23
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C12 H15 Cl2 N3 Pt0.829'
_chemical_formula_sum            'C12 H15 Cl2 N3 Pt0.83'
_chemical_formula_weight         434.09
_chemical_melting_point          ?
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   13.7494(9)
_cell_length_b                   11.5541(8)
_cell_length_c                   17.3694(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.787(2)
_cell_angle_gamma                90
_cell_volume                     2733.9(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100.15
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   0.256
_shelx_estimated_absorpt_T_min   0.234
_exptl_absorpt_coefficient_mu    8.909
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.3074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1440 before and 0.0541 after correction.
The Ratio of minimum to maximum transmission is 0.4122.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.109
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1654
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16048
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.047
_diffrn_reflns_theta_max         25.047
_diffrn_reflns_theta_min         2.311
_diffrn_ambient_temperature      100.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2230
_reflns_number_total             2429
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         3.073
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2429
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0318
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0436P)²+33.0108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0841
_refine_special_details          ?
_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 Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C6(H6A,H6B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C9(H9), C12(H12), C2(H2), C10(H10), C11(H11)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.22181(2) 0.31461(2) 0.58863(2) 0.01859(12) Uani 0.829(4) 1 d . . . A 2
Cl2 Cl 0.37297(10) 0.30438(12) 0.67057(8) 0.0192(4) Uani 1 1 d . . . . .
Cl1 Cl 0.27468(11) 0.49197(13) 0.53774(9) 0.0267(4) Uani 1 1 d . . . . .
N3 N 0.0928(5) 0.3167(5) 0.5169(4) 0.0350(14) Uani 1 1 d . . . . .
C1 C 0.1603(5) 0.1759(6) 0.6249(4) 0.0317(16) Uani 1 1 d . . . . .
N1 N 0.1725(4) 0.0934(5) 0.6798(3) 0.0378(14) Uani 1 1 d . . . . .
C4 C 0.2575(6) 0.0764(7) 0.7403(4) 0.0436(19) Uani 1 1 d . . . . .
H4A H 0.234530 0.041970 0.786852 0.052 Uiso 1 1 calc R U . . .
H4B H 0.287002 0.152577 0.755353 0.052 Uiso 1 1 calc R U . . .
N2 N 0.0699(4) 0.1515(5) 0.5843(3) 0.0322(13) Uani 1 1 d . . . . .
C8 C 0.0318(5) 0.2257(6) 0.5249(4) 0.0328(16) Uani 1 1 d . . . . .
C3 C 0.0278(6) 0.0554(7) 0.6142(4) 0.0386(17) Uani 1 1 d . . . . .
H3 H -0.034185 0.022120 0.595601 0.046 Uiso 1 1 calc R U . . .
C9 C -0.0583(6) 0.2129(7) 0.4795(4) 0.0377(17) Uani 1 1 d . . . . .
H9 H -0.098321 0.147329 0.485206 0.045 Uiso 1 1 calc R U . . .
C12 C 0.0613(6) 0.3975(7) 0.4626(4) 0.0434(19) Uani 1 1 d . . . . .
H12 H 0.102594 0.461569 0.455923 0.052 Uiso 1 1 calc R U . . .
C2 C 0.0910(5) 0.0188(7) 0.6738(5) 0.0390(17) Uani 1 1 d . . . . .
H2 H 0.082668 -0.045572 0.706253 0.047 Uiso 1 1 calc R U . . .
C10 C -0.0883(6) 0.2974(7) 0.4261(5) 0.0434(19) Uani 1 1 d . . . . .
H10 H -0.150713 0.291983 0.395299 0.052 Uiso 1 1 calc R U . . .
C11 C -0.0278(6) 0.3902(7) 0.4173(5) 0.048(2) Uani 1 1 d . . . . .
H11 H -0.047819 0.448525 0.379958 0.058 Uiso 1 1 calc R U . . .
C5 C 0.3355(6) -0.0016(7) 0.7137(5) 0.0454(19) Uani 1 1 d . . . . .
H5A H 0.368969 0.041692 0.675697 0.054 Uiso 1 1 calc R U . . .
H5B H 0.385055 -0.018741 0.759068 0.054 Uiso 1 1 calc R U . . .
C6 C 0.2997(6) -0.1138(7) 0.6774(5) 0.047(2) Uani 1 1 d . . . . .
H6A H 0.258178 -0.097992 0.627398 0.057 Uiso 1 1 calc R U . . .
H6B H 0.258474 -0.153276 0.711912 0.057 Uiso 1 1 calc R U . . .
C7 C 0.3823(7) -0.1924(8) 0.6634(6) 0.058(2) Uani 1 1 d . . . . .
H7A H 0.422577 -0.210011 0.712917 0.087 Uiso 1 1 calc R U . . .
H7B H 0.422790 -0.154106 0.628643 0.087 Uiso 1 1 calc R U . . .
H7C H 0.355411 -0.264330 0.639318 0.087 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 Cl2 2.3575(14) . ?
Pt1 Cl1 2.3840(15) . ?
Pt1 N3 2.024(6) . ?
Pt1 C1 1.956(7) . ?
N3 C8 1.364(9) . ?
N3 C12 1.356(9) . ?
C1 N1 1.342(9) . ?
C1 N2 1.372(9) . ?
N1 C4 1.474(9) . ?
N1 C2 1.407(9) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.520(11) . ?
N2 C8 1.388(9) . ?
N2 C3 1.386(9) . ?
C8 C9 1.382(10) . ?
C3 H3 0.9500 . ?
C3 C2 1.327(11) . ?
C9 H9 0.9500 . ?
C9 C10 1.371(11) . ?
C12 H12 0.9500 . ?
C12 C11 1.366(11) . ?
C2 H2 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.379(11) . ?
C11 H11 0.9500 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.494(11) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.499(12) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl2 Pt1 Cl1 88.78(5) . . ?
N3 Pt1 Cl2 177.67(17) . . ?
N3 Pt1 Cl1 92.72(17) . . ?
C1 Pt1 Cl2 98.6(2) . . ?
C1 Pt1 Cl1 172.2(2) . . ?
C1 Pt1 N3 80.0(3) . . ?
C8 N3 Pt1 115.3(5) . . ?
C12 N3 Pt1 127.4(5) . . ?
C12 N3 C8 117.3(7) . . ?
N1 C1 Pt1 142.4(6) . . ?
N1 C1 N2 103.7(6) . . ?
N2 C1 Pt1 113.8(5) . . ?
C1 N1 C4 127.7(6) . . ?
C1 N1 C2 111.1(6) . . ?
C2 N1 C4 121.2(6) . . ?
N1 C4 H4A 109.1 . . ?
N1 C4 H4B 109.1 . . ?
N1 C4 C5 112.7(6) . . ?
H4A C4 H4B 107.8 . . ?
C5 C4 H4A 109.1 . . ?
C5 C4 H4B 109.1 . . ?
C1 N2 C8 118.7(6) . . ?
C1 N2 C3 111.6(6) . . ?
C3 N2 C8 129.6(6) . . ?
N3 C8 N2 112.1(6) . . ?
N3 C8 C9 122.7(7) . . ?
C9 C8 N2 125.2(7) . . ?
N2 C3 H3 126.7 . . ?
C2 C3 N2 106.5(7) . . ?
C2 C3 H3 126.7 . . ?
C8 C9 H9 120.8 . . ?
C10 C9 C8 118.3(7) . . ?
C10 C9 H9 120.8 . . ?
N3 C12 H12 118.8 . . ?
N3 C12 C11 122.4(7) . . ?
C11 C12 H12 118.8 . . ?
N1 C2 H2 126.4 . . ?
C3 C2 N1 107.1(7) . . ?
C3 C2 H2 126.4 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.9(8) . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 119.4(8) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C4 C5 H5A 108.3 . . ?
C4 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
C6 C5 C4 115.9(7) . . ?
C6 C5 H5A 108.3 . . ?
C6 C5 H5B 108.3 . . ?
C5 C6 H6A 109.1 . . ?
C5 C6 H6B 109.1 . . ?
C5 C6 C7 112.4(7) . . ?
H6A C6 H6B 107.9 . . ?
C7 C6 H6A 109.1 . . ?
C7 C6 H6B 109.1 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 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 N3 C8 N2 2.7(7) . . . . ?
Pt1 N3 C8 C9 -178.9(6) . . . . ?
Pt1 N3 C12 C11 -179.9(6) . . . . ?
Pt1 C1 N1 C4 -3.9(13) . . . . ?
Pt1 C1 N1 C2 176.2(7) . . . . ?
Pt1 C1 N2 C8 -1.1(8) . . . . ?
Pt1 C1 N2 C3 -177.6(5) . . . . ?
N3 C8 C9 C10 -2.1(11) . . . . ?
N3 C12 C11 C10 -0.3(13) . . . . ?
C1 N1 C4 C5 -89.6(9) . . . . ?
C1 N1 C2 C3 0.3(9) . . . . ?
C1 N2 C8 N3 -1.1(9) . . . . ?
C1 N2 C8 C9 -179.4(7) . . . . ?
C1 N2 C3 C2 0.2(8) . . . . ?
N1 C1 N2 C8 176.5(6) . . . . ?
N1 C1 N2 C3 0.0(8) . . . . ?
N1 C4 C5 C6 -49.7(10) . . . . ?
C4 N1 C2 C3 -179.5(6) . . . . ?
C4 C5 C6 C7 -171.8(7) . . . . ?
N2 C1 N1 C4 179.6(6) . . . . ?
N2 C1 N1 C2 -0.2(8) . . . . ?
N2 C8 C9 C10 176.1(7) . . . . ?
N2 C3 C2 N1 -0.3(8) . . . . ?
C8 N3 C12 C11 0.2(11) . . . . ?
C8 N2 C3 C2 -175.8(7) . . . . ?
C8 C9 C10 C11 1.9(12) . . . . ?
C3 N2 C8 N3 174.7(7) . . . . ?
C3 N2 C8 C9 -3.6(12) . . . . ?
C9 C10 C11 C12 -0.8(13) . . . . ?
C12 N3 C8 N2 -177.3(6) . . . . ?
C12 N3 C8 C9 1.1(10) . . . . ?
C2 N1 C4 C5 90.2(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'



