# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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 2066696'
loop_
_audit_author_name
_audit_author_address
'X.-P. Zhang'
;Hainan Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H19 Cl F2 N2 Pt'
_chemical_formula_sum            'C23 H19 Cl F2 N2 Pt'
_chemical_formula_weight         591.94

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'
F F 0.0171 0.0103 '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           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   7.1804(3)
_cell_length_b                   18.1579(8)
_cell_length_c                   14.8582(7)
_cell_angle_alpha                90
_cell_angle_beta                 97.719(2)
_cell_angle_gamma                90
_cell_volume                     1919.67(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    9952
_cell_measurement_theta_min      3.362
_cell_measurement_theta_max      53.676

_exptl_crystal_description       needle
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_F_000             1136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    7.480
_shelx_estimated_absorpt_T_min   0.316
_shelx_estimated_absorpt_T_max   0.493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2593
_exptl_absorpt_correction_T_max  0.3667
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27737
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.781
_diffrn_reflns_theta_max         25.351
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7010
_reflns_number_gt                6381
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.928
_reflns_Friedel_fraction_max     0.992
_reflns_Friedel_fraction_full    0.995

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0464P)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_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.185(10)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         7010
_refine_ls_number_parameters     528
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0702
_refine_ls_wR_factor_gt          0.0681
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_restrained_S_all      0.890
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.32632(6) 0.45373(2) 0.05614(3) 0.02882(12) Uani 1 1 d . . . . .
Pt2 Pt 0.90818(6) 0.37392(2) 0.02721(3) 0.02762(12) Uani 1 1 d . . . . .
C30 C 0.8340(14) 0.4519(8) -0.1396(8) 0.031(3) Uani 1 1 d . . . . .
C8 C 0.3923(14) 0.3769(8) -0.1044(7) 0.027(2) Uani 1 1 d . . . . .
Cl2 Cl 0.9898(4) 0.26630(14) 0.12019(19) 0.0305(6) Uani 1 1 d . . . . .
Cl1 Cl 0.2588(4) 0.56120(14) 0.14222(18) 0.0300(6) Uani 1 1 d . . . . .
C11 C 0.5175(14) 0.2461(6) -0.0100(8) 0.027(2) Uani 1 1 d . . . . .
H11 H 0.561109 0.203151 0.021238 0.032 Uiso 1 1 calc R U . . .
C3 C 0.2288(14) 0.5647(6) -0.0884(8) 0.026(2) Uani 1 1 d . . . . .
H3 H 0.198602 0.594543 -0.040633 0.031 Uiso 1 1 calc R U . . .
N4 N 0.8555(12) 0.4441(5) 0.1266(6) 0.025(2) Uani 1 1 d . . . . .
C1 C 0.3983(12) 0.3710(6) -0.0065(7) 0.023(2) Uani 1 1 d . . . . .
C10 C 0.5075(15) 0.2499(6) -0.1008(8) 0.030(3) Uani 1 1 d . . . . .
H10 H 0.544792 0.208978 -0.132879 0.036 Uiso 1 1 calc R U . . .
N1 N 0.2887(11) 0.4980(5) -0.0700(6) 0.0233(19) Uani 1 1 d . . . . .
F2 F 0.4343(10) 0.3108(4) -0.2406(4) 0.0438(18) Uani 1 1 d . . . . .
C4 C 0.2075(15) 0.5939(6) -0.1767(8) 0.032(3) Uani 1 1 d . . . . .
H4 H 0.162665 0.642064 -0.188565 0.039 Uiso 1 1 calc R U . . .
F1 F 0.3601(13) 0.4378(4) -0.2933(5) 0.058(2) Uani 1 1 d . . . . .
C7 C 0.3334(13) 0.4511(7) -0.1387(6) 0.025(2) Uani 1 1 d . . . . .
C5 C 0.2533(17) 0.5506(7) -0.2439(8) 0.040(3) Uani 1 1 d . . . . .
H5 H 0.244534 0.569046 -0.303450 0.048 Uiso 1 1 calc R U . . .
C6 C 0.3128(18) 0.4798(7) -0.2260(8) 0.035(3) Uani 1 1 d . . . . .
F4 F 0.7836(11) 0.5210(4) -0.2805(4) 0.0430(17) Uani 1 1 d . . . . .
C32 C 0.7493(16) 0.5832(6) -0.1468(8) 0.034(3) Uani 1 1 d . . . . .
H32 H 0.725731 0.626611 -0.180867 0.040 Uiso 1 1 calc R U . . .
C2 C 0.8365(13) 0.4583(7) -0.0463(6) 0.022(2) Uani 1 1 d . . . . .
C29 C 0.8791(14) 0.3773(7) -0.1689(7) 0.029(2) Uani 1 1 d . . . . .
C34 C 0.7890(13) 0.5213(6) -0.0036(7) 0.021(2) Uani 1 1 d . . . . .
C35 C 0.7988(15) 0.5130(6) 0.0957(7) 0.025(2) Uani 1 1 d . . . . .
N3 N 0.9259(12) 0.3298(5) -0.0946(6) 0.023(2) Uani 1 1 d . . . . .
C13 C 0.4521(15) 0.3149(6) 0.1358(8) 0.027(2) Uani 1 1 d . . . . .
C12 C 0.4611(15) 0.3083(6) 0.0384(8) 0.025(2) Uani 1 1 d . . . . .
C16 C 0.3998(15) 0.3408(6) 0.3132(7) 0.027(2) Uani 1 1 d . . . . .
C17 C 0.3599(14) 0.3930(6) 0.2468(8) 0.026(3) Uani 1 1 d . . . . .
H17 H 0.311404 0.438514 0.262998 0.031 Uiso 1 1 calc R U . . .
C25 C 0.9641(15) 0.2587(6) -0.1091(8) 0.033(3) Uani 1 1 d . . . . .
H25 H 0.996055 0.227779 -0.058650 0.040 Uiso 1 1 calc R U . . .
C36 C 0.7491(14) 0.5656(6) 0.1544(7) 0.024(2) Uani 1 1 d . . . . .
H36 H 0.700875 0.611153 0.131924 0.029 Uiso 1 1 calc R U . . .
C38 C 0.8359(16) 0.4827(6) 0.2777(8) 0.029(2) Uani 1 1 d . . . . .
C14 C 0.5035(16) 0.2627(6) 0.2020(8) 0.030(3) Uani 1 1 d . . . . .
H14 H 0.559952 0.218780 0.185981 0.037 Uiso 1 1 calc R U . . .
C9 C 0.4417(15) 0.3144(6) -0.1496(7) 0.028(2) Uani 1 1 d . . . . .
C26 C 0.9582(17) 0.2292(6) -0.1956(8) 0.036(3) Uani 1 1 d . . . . .
H26 H 0.983062 0.178921 -0.203486 0.043 Uiso 1 1 calc R U . . .
C28 C 0.8772(18) 0.3466(7) -0.2553(8) 0.035(3) Uani 1 1 d . . . . .
C33 C 0.7471(15) 0.5851(6) -0.0549(7) 0.026(2) Uani 1 1 d . . . . .
H33 H 0.717692 0.629081 -0.026460 0.031 Uiso 1 1 calc R U . . .
C15 C 0.4748(15) 0.2729(6) 0.2902(8) 0.033(3) Uani 1 1 d . . . . .
C27 C 0.9155(18) 0.2745(7) -0.2696(8) 0.039(3) Uani 1 1 d . . . . .
H27 H 0.912751 0.256030 -0.328887 0.047 Uiso 1 1 calc R U . . .
C31 C 0.7855(16) 0.5186(6) -0.1905(7) 0.029(3) Uani 1 1 d . . . . .
N2 N 0.3858(12) 0.3830(5) 0.1613(6) 0.024(2) Uani 1 1 d . . . . .
F3 F 0.8319(12) 0.3909(4) -0.3274(4) 0.053(2) Uani 1 1 d . . . . .
C43 C 0.8640(17) 0.4715(6) 0.3793(8) 0.036(3) Uani 1 1 d . . . . .
H43 H 0.911908 0.422644 0.401025 0.043 Uiso 1 1 calc R U . . .
C37 C 0.7701(14) 0.5516(6) 0.2468(7) 0.027(2) Uani 1 1 d . . . . .
C40 C 0.7186(16) 0.6068(6) 0.3159(7) 0.032(3) Uani 1 1 d . . . . .
H40A H 0.583578 0.617265 0.304276 0.038 Uiso 1 1 calc R U . . .
H40B H 0.786433 0.652994 0.309793 0.038 Uiso 1 1 calc R U . . .
C21 C 0.3638(17) 0.3499(6) 0.4112(8) 0.035(3) Uani 1 1 d . . . . .
H21 H 0.313043 0.398124 0.427446 0.042 Uiso 1 1 calc R U . . .
C44 C 0.9651(18) 0.5399(7) 0.4283(7) 0.038(3) Uani 1 1 d . . . . .
C23 C 0.1073(17) 0.2448(7) 0.3770(8) 0.040(3) Uani 1 1 d . . . . .
H23A H 0.084158 0.195213 0.396931 0.060 Uiso 1 1 calc R U . . .
H23B H 0.145171 0.243123 0.316727 0.060 Uiso 1 1 calc R U . . .
H23C H -0.006544 0.273828 0.375280 0.060 Uiso 1 1 calc R U . . .
C41 C 0.7681(18) 0.5770(6) 0.4121(8) 0.037(3) Uani 1 1 d . . . . .
H41 H 0.740415 0.610698 0.460877 0.044 Uiso 1 1 calc R U . . .
C20 C 0.5438(19) 0.3231(7) 0.4711(8) 0.045(3) Uani 1 1 d . . . . .
H20A H 0.554439 0.339182 0.534587 0.054 Uiso 1 1 calc R U . . .
H20B H 0.660200 0.332356 0.445298 0.054 Uiso 1 1 calc R U . . .
C42 C 0.6836(19) 0.4987(7) 0.4159(9) 0.044(3) Uani 1 1 d . . . . .
H42A H 0.567462 0.490946 0.374217 0.053 Uiso 1 1 calc R U . . .
H42B H 0.670880 0.481536 0.477369 0.053 Uiso 1 1 calc R U . . .
C19 C 0.4633(19) 0.2440(7) 0.4540(8) 0.040(3) Uani 1 1 d . . . . .
H19 H 0.490166 0.209598 0.505807 0.048 Uiso 1 1 calc R U . . .
C18 C 0.5150(16) 0.2158(6) 0.3640(8) 0.036(3) Uani 1 1 d . . . . .
H18A H 0.648866 0.203158 0.371409 0.043 Uiso 1 1 calc R U . . .
H18B H 0.443029 0.171087 0.346329 0.043 Uiso 1 1 calc R U . . .
C22 C 0.2627(19) 0.2798(6) 0.4426(8) 0.039(3) Uani 1 1 d . . . . .
C39 C 0.8733(15) 0.4315(5) 0.2168(7) 0.021(2) Uani 1 1 d . . . . .
H39 H 0.913727 0.384693 0.238294 0.026 Uiso 1 1 calc R U . . .
C24 C 0.192(2) 0.2941(8) 0.5342(8) 0.055(4) Uani 1 1 d . . . . .
H24A H 0.091915 0.330143 0.526194 0.082 Uiso 1 1 calc R U . . .
H24B H 0.295160 0.312676 0.577286 0.082 Uiso 1 1 calc R U . . .
H24C H 0.146039 0.248501 0.556888 0.082 Uiso 1 1 calc R U . . .
C46 C 1.1255(17) 0.5758(7) 0.3869(8) 0.038(3) Uani 1 1 d . . . . .
H46A H 1.239238 0.547124 0.402363 0.058 Uiso 1 1 calc R U . . .
H46B H 1.145424 0.625363 0.410588 0.058 Uiso 1 1 calc R U . . .
H46C H 1.093872 0.577756 0.321388 0.058 Uiso 1 1 calc R U . . .
C45 C 1.029(2) 0.5251(8) 0.5281(8) 0.053(4) Uani 1 1 d . . . . .
H45A H 0.926336 0.503153 0.555161 0.079 Uiso 1 1 calc R U . . .
H45B H 1.065700 0.571028 0.558671 0.079 Uiso 1 1 calc R U . . .
H45C H 1.134888 0.491574 0.534191 0.079 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 C1 1.875(11) . ?
Pt1 N2 2.023(9) . ?
Pt1 N1 2.024(9) . ?
Pt1 Cl1 2.418(3) . ?
Pt2 C2 1.911(13) . ?
Pt2 N3 1.999(9) . ?
Pt2 N4 2.024(9) . ?
Pt2 Cl2 2.419(3) . ?
C30 C2 1.389(15) . ?
C30 C31 1.445(17) . ?
C30 C29 1.473(18) . ?
C8 C9 1.389(16) . ?
C8 C1 1.454(14) . ?
C8 C7 1.482(19) . ?
C11 C10 1.344(16) . ?
C11 C12 1.426(14) . ?
C11 H11 0.9400 . ?
C3 N1 1.302(13) . ?
C3 C4 1.405(15) . ?
C3 H3 0.9400 . ?
N4 C39 1.349(13) . ?
N4 C35 1.375(14) . ?
C1 C12 1.365(15) . ?
C10 C9 1.424(16) . ?
C10 H10 0.9400 . ?
N1 C7 1.400(14) . ?
F2 C9 1.348(12) . ?
C4 C5 1.346(16) . ?
C4 H4 0.9400 . ?
F1 C6 1.338(14) . ?
C7 C6 1.387(15) . ?
C5 C6 1.370(17) . ?
C5 H5 0.9400 . ?
F4 C31 1.336(12) . ?
C32 C33 1.368(15) . ?
C32 C31 1.382(16) . ?
C32 H32 0.9400 . ?
C2 C34 1.373(15) . ?
C29 C28 1.397(15) . ?
C29 N3 1.406(14) . ?
C34 C33 1.398(14) . ?
C34 C35 1.475(15) . ?
C35 C36 1.373(14) . ?
N3 C25 1.342(14) . ?
C13 C14 1.381(15) . ?
C13 N2 1.395(14) . ?
C13 C12 1.462(15) . ?
C16 C17 1.370(15) . ?
C16 C15 1.405(16) . ?
C16 C21 1.523(15) . ?
C17 N2 1.321(14) . ?
C17 H17 0.9400 . ?
C25 C26 1.389(16) . ?
C25 H25 0.9400 . ?
C36 C37 1.384(15) . ?
C36 H36 0.9400 . ?
C38 C39 1.350(15) . ?
C38 C37 1.392(15) . ?
C38 C43 1.509(15) . ?
C14 C15 1.365(16) . ?
C14 H14 0.9400 . ?
C26 C27 1.374(17) . ?
C26 H26 0.9400 . ?
C28 F3 1.344(13) . ?
C28 C27 1.361(16) . ?
C33 H33 0.9400 . ?
C15 C18 1.509(16) . ?
C27 H27 0.9400 . ?
C43 C42 1.552(17) . ?
C43 C44 1.567(16) . ?
C43 H43 0.9900 . ?
C37 C40 1.517(14) . ?
C40 C41 1.525(15) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C21 C20 1.546(16) . ?
C21 C22 1.568(16) . ?
C21 H21 0.9900 . ?
C44 C45 1.516(15) . ?
C44 C46 1.523(17) . ?
C44 C41 1.555(18) . ?
C23 C22 1.519(18) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C41 C42 1.550(16) . ?
C41 H41 0.9900 . ?
C20 C19 1.557(17) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C19 C18 1.523(17) . ?
C19 C22 1.569(19) . ?
C19 H19 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C22 C24 1.535(17) . ?
C39 H39 0.9400 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C46 H46C 0.9700 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 H45C 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
C1 Pt1 N2 80.3(4) . . ?
C1 Pt1 N1 82.5(4) . . ?
N2 Pt1 N1 162.8(3) . . ?
C1 Pt1 Cl1 175.5(3) . . ?
N2 Pt1 Cl1 98.1(3) . . ?
N1 Pt1 Cl1 99.1(3) . . ?
C2 Pt2 N3 81.3(4) . . ?
C2 Pt2 N4 81.4(4) . . ?
N3 Pt2 N4 162.5(3) . . ?
C2 Pt2 Cl2 178.4(3) . . ?
N3 Pt2 Cl2 98.8(3) . . ?
N4 Pt2 Cl2 98.4(3) . . ?
C2 C30 C31 115.1(12) . . ?
C2 C30 C29 113.4(11) . . ?
C31 C30 C29 131.5(11) . . ?
C9 C8 C1 116.7(11) . . ?
C9 C8 C7 131.0(10) . . ?
C1 C8 C7 112.3(10) . . ?
C10 C11 C12 119.1(10) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
N1 C3 C4 122.5(11) . . ?
N1 C3 H3 118.7 . . ?
C4 C3 H3 118.7 . . ?
C39 N4 C35 118.1(9) . . ?
C39 N4 Pt2 128.0(7) . . ?
C35 N4 Pt2 113.9(7) . . ?
C12 C1 C8 120.9(11) . . ?
C12 C1 Pt1 121.4(8) . . ?
C8 C1 Pt1 117.7(9) . . ?
C11 C10 C9 121.5(10) . . ?
C11 C10 H10 119.3 . . ?
C9 C10 H10 119.3 . . ?
C3 N1 C7 121.1(10) . . ?
C3 N1 Pt1 124.2(8) . . ?
C7 N1 Pt1 114.7(7) . . ?
C5 C4 C3 117.8(10) . . ?
C5 C4 H4 121.1 . . ?
C3 C4 H4 121.1 . . ?
C6 C7 N1 116.5(11) . . ?
C6 C7 C8 130.8(11) . . ?
N1 C7 C8 112.7(8) . . ?
C4 C5 C6 120.3(11) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
F1 C6 C5 119.6(11) . . ?
F1 C6 C7 118.6(11) . . ?
C5 C6 C7 121.8(12) . . ?
C33 C32 C31 121.3(10) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C34 C2 C30 124.0(12) . . ?
C34 C2 Pt2 117.9(7) . . ?
C30 C2 Pt2 118.1(9) . . ?
C28 C29 N3 116.6(11) . . ?
C28 C29 C30 131.6(11) . . ?
N3 C29 C30 111.8(9) . . ?
C2 C34 C33 119.2(10) . . ?
C2 C34 C35 113.3(9) . . ?
C33 C34 C35 127.4(9) . . ?
C36 C35 N4 120.8(10) . . ?
C36 C35 C34 125.7(10) . . ?
N4 C35 C34 113.5(9) . . ?
C25 N3 C29 119.8(10) . . ?
C25 N3 Pt2 124.7(8) . . ?
C29 N3 Pt2 115.3(7) . . ?
C14 C13 N2 118.9(10) . . ?
C14 C13 C12 127.3(10) . . ?
N2 C13 C12 113.8(9) . . ?
C1 C12 C11 120.8(10) . . ?
C1 C12 C13 111.0(9) . . ?
C11 C12 C13 128.2(10) . . ?
C17 C16 C15 118.8(10) . . ?
C17 C16 C21 124.6(10) . . ?
C15 C16 C21 116.6(10) . . ?
N2 C17 C16 123.6(10) . . ?
N2 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
N3 C25 C26 122.5(11) . . ?
N3 C25 H25 118.7 . . ?
C26 C25 H25 118.7 . . ?
C35 C36 C37 119.9(10) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
C39 C38 C37 119.1(10) . . ?
C39 C38 C43 124.5(10) . . ?
C37 C38 C43 116.4(10) . . ?
C15 C14 C13 122.0(10) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
F2 C9 C8 123.1(10) . . ?
F2 C9 C10 115.9(9) . . ?
C8 C9 C10 121.0(10) . . ?
C27 C26 C25 119.0(11) . . ?
C27 C26 H26 120.5 . . ?
C25 C26 H26 120.5 . . ?
F3 C28 C27 118.9(11) . . ?
F3 C28 C29 117.7(10) . . ?
C27 C28 C29 123.4(12) . . ?
C32 C33 C34 119.5(10) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C14 C15 C16 117.7(10) . . ?
C14 C15 C18 124.4(10) . . ?
C16 C15 C18 117.9(11) . . ?
C28 C27 C26 118.6(11) . . ?
C28 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
F4 C31 C32 117.8(10) . . ?
F4 C31 C30 121.4(10) . . ?
C32 C31 C30 120.8(10) . . ?
C17 N2 C13 118.8(10) . . ?
C17 N2 Pt1 127.8(8) . . ?
C13 N2 Pt1 113.4(7) . . ?
C38 C43 C42 107.6(10) . . ?
C38 C43 C44 110.4(9) . . ?
C42 C43 C44 86.7(9) . . ?
C38 C43 H43 116.1 . . ?
C42 C43 H43 116.1 . . ?
C44 C43 H43 116.1 . . ?
C36 C37 C38 118.7(9) . . ?
C36 C37 C40 123.0(9) . . ?
C38 C37 C40 118.2(10) . . ?
C37 C40 C41 110.6(9) . . ?
C37 C40 H40A 109.5 . . ?
C41 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C41 C40 H40B 109.5 . . ?
H40A C40 H40B 108.1 . . ?
C16 C21 C20 106.3(10) . . ?
C16 C21 C22 109.9(9) . . ?
C20 C21 C22 87.6(9) . . ?
C16 C21 H21 116.4 . . ?
C20 C21 H21 116.4 . . ?
C22 C21 H21 116.4 . . ?
C45 C44 C46 109.0(11) . . ?
C45 C44 C41 112.1(10) . . ?
C46 C44 C41 118.3(10) . . ?
C45 C44 C43 111.9(10) . . ?
C46 C44 C43 118.7(9) . . ?
C41 C44 C43 85.2(9) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C40 C41 C42 108.5(10) . . ?
C40 C41 C44 113.1(9) . . ?
C42 C41 C44 87.2(9) . . ?
C40 C41 H41 115.0 . . ?
C42 C41 H41 115.0 . . ?
C44 C41 H41 115.0 . . ?
C21 C20 C19 86.2(9) . . ?
C21 C20 H20A 114.3 . . ?
C19 C20 H20A 114.3 . . ?
C21 C20 H20B 114.3 . . ?
C19 C20 H20B 114.3 . . ?
H20A C20 H20B 111.4 . . ?
C41 C42 C43 85.9(9) . . ?
C41 C42 H42A 114.3 . . ?
C43 C42 H42A 114.3 . . ?
C41 C42 H42B 114.3 . . ?
C43 C42 H42B 114.3 . . ?
H42A C42 H42B 111.5 . . ?
C18 C19 C20 108.9(10) . . ?
C18 C19 C22 111.9(10) . . ?
C20 C19 C22 87.2(9) . . ?
C18 C19 H19 115.2 . . ?
C20 C19 H19 115.2 . . ?
C22 C19 H19 115.2 . . ?
C15 C18 C19 111.2(10) . . ?
C15 C18 H18A 109.4 . . ?
C19 C18 H18A 109.4 . . ?
C15 C18 H18B 109.4 . . ?
C19 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C23 C22 C24 109.9(11) . . ?
C23 C22 C21 118.6(10) . . ?
C24 C22 C21 110.3(11) . . ?
C23 C22 C19 118.7(11) . . ?
C24 C22 C19 112.4(11) . . ?
C21 C22 C19 85.0(9) . . ?
N4 C39 C38 123.3(10) . . ?
N4 C39 H39 118.4 . . ?
C38 C39 H39 118.4 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 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
C9 C8 C1 C12 4.0(14) . . . . ?
C7 C8 C1 C12 -175.7(9) . . . . ?
C9 C8 C1 Pt1 -178.4(7) . . . . ?
C7 C8 C1 Pt1 1.8(11) . . . . ?
N2 Pt1 C1 C12 -3.1(8) . . . . ?
N1 Pt1 C1 C12 177.1(8) . . . . ?
N2 Pt1 C1 C8 179.3(8) . . . . ?
N1 Pt1 C1 C8 -0.5(7) . . . . ?
C12 C11 C10 C9 -0.1(16) . . . . ?
C4 C3 N1 C7 -0.8(15) . . . . ?
C4 C3 N1 Pt1 178.9(8) . . . . ?
N1 C3 C4 C5 -0.7(16) . . . . ?
C3 N1 C7 C6 0.8(14) . . . . ?
Pt1 N1 C7 C6 -178.9(8) . . . . ?
C3 N1 C7 C8 -177.9(9) . . . . ?
Pt1 N1 C7 C8 2.4(10) . . . . ?
C9 C8 C7 C6 -1(2) . . . . ?
C1 C8 C7 C6 178.8(11) . . . . ?
C9 C8 C7 N1 177.7(10) . . . . ?
C1 C8 C7 N1 -2.7(12) . . . . ?
C3 C4 C5 C6 2.1(18) . . . . ?
C4 C5 C6 F1 -179.2(11) . . . . ?
C4 C5 C6 C7 -2.0(19) . . . . ?
N1 C7 C6 F1 177.7(10) . . . . ?
C8 C7 C6 F1 -3.8(19) . . . . ?
N1 C7 C6 C5 0.6(17) . . . . ?
C8 C7 C6 C5 179.1(11) . . . . ?
C31 C30 C2 C34 2.9(15) . . . . ?
C29 C30 C2 C34 -176.2(9) . . . . ?
C31 C30 C2 Pt2 -177.7(7) . . . . ?
C29 C30 C2 Pt2 3.1(12) . . . . ?
C2 C30 C29 C28 174.2(11) . . . . ?
C31 C30 C29 C28 -5(2) . . . . ?
C2 C30 C29 N3 -3.5(12) . . . . ?
C31 C30 C29 N3 177.5(10) . . . . ?
C30 C2 C34 C33 -4.5(15) . . . . ?
Pt2 C2 C34 C33 176.1(7) . . . . ?
C30 C2 C34 C35 178.5(9) . . . . ?
Pt2 C2 C34 C35 -0.8(11) . . . . ?
C39 N4 C35 C36 -4.5(15) . . . . ?
Pt2 N4 C35 C36 176.8(8) . . . . ?
C39 N4 C35 C34 178.4(9) . . . . ?
Pt2 N4 C35 C34 -0.2(11) . . . . ?
C2 C34 C35 C36 -176.2(10) . . . . ?
C33 C34 C35 C36 7.1(17) . . . . ?
C2 C34 C35 N4 0.6(13) . . . . ?
C33 C34 C35 N4 -176.0(10) . . . . ?
C28 C29 N3 C25 -0.6(14) . . . . ?
C30 C29 N3 C25 177.5(9) . . . . ?
C28 C29 N3 Pt2 -175.6(8) . . . . ?
C30 C29 N3 Pt2 2.5(10) . . . . ?
C8 C1 C12 C11 -1.8(15) . . . . ?
Pt1 C1 C12 C11 -179.3(7) . . . . ?
C8 C1 C12 C13 -179.3(9) . . . . ?
Pt1 C1 C12 C13 3.2(12) . . . . ?
C10 C11 C12 C1 -0.2(15) . . . . ?
C10 C11 C12 C13 176.8(10) . . . . ?
C14 C13 C12 C1 179.9(10) . . . . ?
N2 C13 C12 C1 -1.1(12) . . . . ?
C14 C13 C12 C11 2.6(18) . . . . ?
N2 C13 C12 C11 -178.3(10) . . . . ?
C15 C16 C17 N2 0.9(17) . . . . ?
C21 C16 C17 N2 -177.4(10) . . . . ?
C29 N3 C25 C26 -0.5(16) . . . . ?
Pt2 N3 C25 C26 174.0(8) . . . . ?
N4 C35 C36 C37 5.2(16) . . . . ?
C34 C35 C36 C37 -178.2(10) . . . . ?
N2 C13 C14 C15 6.3(17) . . . . ?
C12 C13 C14 C15 -174.7(11) . . . . ?
C1 C8 C9 F2 176.9(9) . . . . ?
C7 C8 C9 F2 -3.4(18) . . . . ?
C1 C8 C9 C10 -4.3(15) . . . . ?
C7 C8 C9 C10 175.3(10) . . . . ?
C11 C10 C9 F2 -178.6(10) . . . . ?
C11 C10 C9 C8 2.5(17) . . . . ?
N3 C25 C26 C27 1.4(18) . . . . ?
N3 C29 C28 F3 179.7(10) . . . . ?
C30 C29 C28 F3 2.0(18) . . . . ?
N3 C29 C28 C27 0.9(17) . . . . ?
C30 C29 C28 C27 -176.8(12) . . . . ?
C31 C32 C33 C34 2.4(17) . . . . ?
C2 C34 C33 C32 1.8(15) . . . . ?
C35 C34 C33 C32 178.2(10) . . . . ?
C13 C14 C15 C16 -3.5(17) . . . . ?
C13 C14 C15 C18 175.4(11) . . . . ?
C17 C16 C15 C14 -0.1(16) . . . . ?
C21 C16 C15 C14 178.3(10) . . . . ?
C17 C16 C15 C18 -179.1(10) . . . . ?
C21 C16 C15 C18 -0.7(15) . . . . ?
F3 C28 C27 C26 -178.8(11) . . . . ?
C29 C28 C27 C26 0(2) . . . . ?
C25 C26 C27 C28 -1.1(19) . . . . ?
C33 C32 C31 F4 179.5(10) . . . . ?
C33 C32 C31 C30 -3.9(17) . . . . ?
C2 C30 C31 F4 177.8(10) . . . . ?
C29 C30 C31 F4 -3.2(18) . . . . ?
C2 C30 C31 C32 1.3(15) . . . . ?
C29 C30 C31 C32 -179.7(11) . . . . ?
C16 C17 N2 C13 2.0(16) . . . . ?
C16 C17 N2 Pt1 178.1(8) . . . . ?
C14 C13 N2 C17 -5.5(15) . . . . ?
C12 C13 N2 C17 175.4(9) . . . . ?
C14 C13 N2 Pt1 177.9(8) . . . . ?
C12 C13 N2 Pt1 -1.2(11) . . . . ?
C39 C38 C43 C42 -132.8(11) . . . . ?
C37 C38 C43 C42 48.4(13) . . . . ?
C39 C38 C43 C44 134.2(12) . . . . ?
C37 C38 C43 C44 -44.6(14) . . . . ?
C35 C36 C37 C38 -2.1(16) . . . . ?
C35 C36 C37 C40 179.9(10) . . . . ?
C39 C38 C37 C36 -1.4(16) . . . . ?
C43 C38 C37 C36 177.4(10) . . . . ?
C39 C38 C37 C40 176.6(10) . . . . ?
C43 C38 C37 C40 -4.5(15) . . . . ?
C36 C37 C40 C41 -176.8(10) . . . . ?
C38 C37 C40 C41 5.3(15) . . . . ?
C17 C16 C21 C20 -134.2(11) . . . . ?
C15 C16 C21 C20 47.5(13) . . . . ?
C17 C16 C21 C22 132.4(11) . . . . ?
C15 C16 C21 C22 -45.9(14) . . . . ?
C38 C43 C44 C45 -169.2(10) . . . . ?
C42 C43 C44 C45 83.3(12) . . . . ?
C38 C43 C44 C46 -40.9(15) . . . . ?
C42 C43 C44 C46 -148.4(11) . . . . ?
C38 C43 C44 C41 78.9(10) . . . . ?
C42 C43 C44 C41 -28.7(9) . . . . ?
C37 C40 C41 C42 -50.8(12) . . . . ?
C37 C40 C41 C44 44.1(13) . . . . ?
C45 C44 C41 C40 168.0(10) . . . . ?
C46 C44 C41 C40 39.8(14) . . . . ?
C43 C44 C41 C40 -80.2(10) . . . . ?
C45 C44 C41 C42 -83.0(12) . . . . ?
C46 C44 C41 C42 148.8(10) . . . . ?
C43 C44 C41 C42 28.7(8) . . . . ?
C16 C21 C20 C19 -82.1(10) . . . . ?
C22 C21 C20 C19 28.0(9) . . . . ?
C40 C41 C42 C43 84.4(11) . . . . ?
C44 C41 C42 C43 -29.0(9) . . . . ?
C38 C43 C42 C41 -81.6(10) . . . . ?
C44 C43 C42 C41 28.8(9) . . . . ?
C21 C20 C19 C18 84.3(10) . . . . ?
C21 C20 C19 C22 -27.9(9) . . . . ?
C14 C15 C18 C19 -178.7(11) . . . . ?
C16 C15 C18 C19 0.2(15) . . . . ?
C20 C19 C18 C15 -46.9(13) . . . . ?
C22 C19 C18 C15 47.7(13) . . . . ?
C16 C21 C22 C23 -41.4(14) . . . . ?
C20 C21 C22 C23 -147.9(11) . . . . ?
C16 C21 C22 C24 -169.3(11) . . . . ?
C20 C21 C22 C24 84.2(11) . . . . ?
C16 C21 C22 C19 78.7(10) . . . . ?
C20 C21 C22 C19 -27.8(9) . . . . ?
C18 C19 C22 C23 38.3(14) . . . . ?
C20 C19 C22 C23 147.6(10) . . . . ?
C18 C19 C22 C24 168.4(11) . . . . ?
C20 C19 C22 C24 -82.3(11) . . . . ?
C18 C19 C22 C21 -81.7(11) . . . . ?
C20 C19 C22 C21 27.6(8) . . . . ?
C35 N4 C39 C38 0.9(16) . . . . ?
Pt2 N4 C39 C38 179.3(8) . . . . ?
C37 C38 C39 N4 2.1(17) . . . . ?
C43 C38 C39 N4 -176.7(10) . . . . ?

_refine_diff_density_max         1.207
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.125



####################################################################### 
# 
# 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_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2066698'
loop_
_audit_author_name
_audit_author_address
'X.-P. Zhang'
;Hainan Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H20 Cl F N2 Pt'
_chemical_formula_sum            'C23 H20 Cl F N2 Pt'
_chemical_formula_weight         573.95

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'
F F 0.0171 0.0103 '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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

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

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

_cell_length_a                   10.0122(3)
_cell_length_b                   13.8750(4)
_cell_length_c                   27.4999(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3820.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    153(2)
_cell_measurement_reflns_used    11765
_cell_measurement_theta_min      2.4890
_cell_measurement_theta_max      29.3410

_exptl_crystal_description       block
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.996
_exptl_crystal_F_000             2208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.260
_exptl_absorpt_coefficient_mu    7.506
_shelx_estimated_absorpt_T_min   0.197
_shelx_estimated_absorpt_T_max   0.246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1974
_exptl_absorpt_correction_T_max  0.2457
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      153(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            34734
_diffrn_reflns_av_unetI/netI     0.0512
_diffrn_reflns_av_R_equivalents  0.0533
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.085
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8386
_reflns_number_gt                7721
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.783
_reflns_Friedel_fraction_max     0.990
_reflns_Friedel_fraction_full    1.000

_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0162P)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_abs_structure_details 
;
 Flack x determined using 3133 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.016(5)
_chemical_absolute_configuration unk
_refine_ls_number_reflns         8386
_refine_ls_number_parameters     509
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0347
_refine_ls_R_factor_gt           0.0288
_refine_ls_wR_factor_ref         0.0517
_refine_ls_wR_factor_gt          0.0494
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.002
_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 0.2570(7) 0.5910(5) 0.2549(3) 0.0157(17) Uani 1 1 d . . . . .
C2 C 0.2589(7) 0.8492(5) 0.2402(3) 0.0147(16) Uani 1 1 d . . . . .
C3 C 0.6355(7) 0.6298(5) 0.2275(3) 0.0197(17) Uani 1 1 d . . . . .
H3 H 0.690525 0.634605 0.255559 0.024 Uiso 1 1 calc R U . . .
C4 C 0.6936(7) 0.6378(5) 0.1829(3) 0.0238(19) Uani 1 1 d . . . . .
H4 H 0.787038 0.648300 0.180046 0.029 Uiso 1 1 calc R U . . .
C5 C 0.6154(8) 0.6307(5) 0.1422(3) 0.0279(18) Uani 1 1 d . . . . .
H5 H 0.654312 0.636122 0.110810 0.033 Uiso 1 1 calc R U . . .
C6 C 0.4790(7) 0.6154(5) 0.1471(3) 0.0212(17) Uani 1 1 d . . . . .
H6 H 0.424071 0.610484 0.119019 0.025 Uiso 1 1 calc R U . . .
C7 C 0.4234(6) 0.6073(4) 0.1930(3) 0.0183(15) Uani 1 1 d . . . . .
C8 C 0.2816(6) 0.5916(5) 0.2048(3) 0.0176(16) Uani 1 1 d . . . . .
C9 C 0.1735(8) 0.5754(5) 0.1748(3) 0.0220(18) Uani 1 1 d . . . . .
C10 C 0.0473(7) 0.5610(5) 0.1925(3) 0.0226(17) Uani 1 1 d . . . . .
H10 H -0.024700 0.550938 0.170576 0.027 Uiso 1 1 calc R U . . .
C11 C 0.0237(7) 0.5610(5) 0.2423(3) 0.0212(19) Uani 1 1 d . . . . .
H11 H -0.063900 0.550504 0.254548 0.025 Uiso 1 1 calc R U . . .
C12 C 0.1303(7) 0.5766(5) 0.2743(3) 0.0182(16) Uani 1 1 d . . . . .
C13 C 0.1288(7) 0.5797(5) 0.3276(3) 0.0179(16) Uani 1 1 d . . . . .
C14 C 0.0202(7) 0.5656(5) 0.3574(3) 0.0224(18) Uani 1 1 d . . . . .
H14 H -0.065213 0.554145 0.343487 0.027 Uiso 1 1 calc R U . . .
C15 C 0.0344(7) 0.5678(5) 0.4075(3) 0.0201(17) Uani 1 1 d . . . . .
C16 C 0.1623(7) 0.5856(5) 0.4272(3) 0.0195(18) Uani 1 1 d . . . . .
C17 C 0.2675(7) 0.6005(5) 0.3964(3) 0.0185(16) Uani 1 1 d . . . . .
H17 H 0.352964 0.613953 0.409731 0.022 Uiso 1 1 calc R U . . .
C18 C -0.0789(7) 0.5485(6) 0.4425(3) 0.0275(19) Uani 1 1 d . . . . .
H18A H -0.118151 0.484470 0.435628 0.033 Uiso 1 1 calc R U . . .
H18B H -0.149515 0.597663 0.438036 0.033 Uiso 1 1 calc R U . . .
C19 C -0.0284(8) 0.5514(6) 0.4950(3) 0.030(2) Uani 1 1 d . . . . .
H19 H -0.097248 0.536708 0.520334 0.036 Uiso 1 1 calc R U . . .
C20 C 0.1007(8) 0.4903(5) 0.4983(3) 0.0282(18) Uani 1 1 d . . . . .
H20A H 0.104856 0.436265 0.474844 0.034 Uiso 1 1 calc R U . . .
H20B H 0.123907 0.469062 0.531593 0.034 Uiso 1 1 calc R U . . .
C21 C 0.1744(7) 0.5835(6) 0.4813(3) 0.0255(19) Uani 1 1 d . . . . .
H21 H 0.265681 0.594497 0.494964 0.031 Uiso 1 1 calc R U . . .
C22 C 0.0579(7) 0.6413(6) 0.5053(3) 0.0233(19) Uani 1 1 d . . . . .
C23 C 0.0169(8) 0.7357(6) 0.4825(4) 0.035(2) Uani 1 1 d . . . . .
H23A H -0.065523 0.758761 0.497764 0.052 Uiso 1 1 calc R U . . .
H23B H 0.001738 0.726267 0.447584 0.052 Uiso 1 1 calc R U . . .
H23C H 0.087909 0.783417 0.487217 0.052 Uiso 1 1 calc R U . . .
C24 C 0.0848(8) 0.6577(7) 0.5594(3) 0.041(2) Uani 1 1 d . . . . .
H24A H 0.158175 0.703792 0.563169 0.062 Uiso 1 1 calc R U . . .
H24B H 0.109294 0.596367 0.574663 0.062 Uiso 1 1 calc R U . . .
H24C H 0.004225 0.683284 0.574911 0.062 Uiso 1 1 calc R U . . .
C25 C -0.1219(7) 0.8096(5) 0.2627(3) 0.0226(17) Uani 1 1 d . . . . .
H25 H -0.174621 0.805565 0.234077 0.027 Uiso 1 1 calc R U . . .
C26 C -0.1836(7) 0.8000(5) 0.3070(3) 0.0228(17) Uani 1 1 d . . . . .
H26 H -0.276946 0.788365 0.308600 0.027 Uiso 1 1 calc R U . . .
C27 C -0.1099(8) 0.8073(5) 0.3488(3) 0.0275(18) Uani 1 1 d . . . . .
H27 H -0.151463 0.800563 0.379655 0.033 Uiso 1 1 calc R U . . .
C28 C 0.0266(7) 0.8248(6) 0.3454(3) 0.0240(18) Uani 1 1 d . . . . .
H28 H 0.079145 0.830953 0.373967 0.029 Uiso 1 1 calc R U . . .
C29 C 0.0855(6) 0.8331(4) 0.3000(3) 0.0197(15) Uani 1 1 d . . . . .
C30 C 0.2276(6) 0.8498(5) 0.2899(3) 0.0158(16) Uani 1 1 d . . . . .
C31 C 0.3331(8) 0.8654(5) 0.3212(3) 0.0220(18) Uani 1 1 d . . . . .
C32 C 0.4635(7) 0.8791(5) 0.3048(3) 0.0226(17) Uani 1 1 d . . . . .
H32 H 0.533719 0.889209 0.327445 0.027 Uiso 1 1 calc R U . . .
C33 C 0.4901(7) 0.8779(5) 0.2558(3) 0.0199(17) Uani 1 1 d . . . . .
H33 H 0.578653 0.888268 0.244516 0.024 Uiso 1 1 calc R U . . .
C34 C 0.3868(7) 0.8613(4) 0.2225(2) 0.0141(15) Uani 1 1 d . . . . .
C35 C 0.3934(7) 0.8554(4) 0.1692(3) 0.0150(15) Uani 1 1 d . . . . .
C36 C 0.5063(7) 0.8629(5) 0.1406(3) 0.0183(17) Uani 1 1 d . . . . .
H36 H 0.590432 0.875165 0.155297 0.022 Uiso 1 1 calc R U . . .
C37 C 0.4976(7) 0.8526(5) 0.0908(3) 0.0170(17) Uani 1 1 d . . . . .
C38 C 0.3724(7) 0.8339(5) 0.0699(3) 0.0179(15) Uani 1 1 d . . . . .
C39 C 0.2622(7) 0.8264(5) 0.0999(3) 0.0180(16) Uani 1 1 d . . . . .
H39 H 0.177512 0.813485 0.085781 0.022 Uiso 1 1 calc R U . . .
C40 C 0.6166(7) 0.8641(5) 0.0572(3) 0.0167(15) Uani 1 1 d . . . . .
H40A H 0.684483 0.814473 0.064937 0.020 Uiso 1 1 calc R U . . .
H40B H 0.657622 0.928253 0.062199 0.020 Uiso 1 1 calc R U . . .
C41 C 0.5728(7) 0.8537(5) 0.0041(3) 0.0194(17) Uani 1 1 d . . . . .
H41 H 0.646240 0.860012 -0.020304 0.023 Uiso 1 1 calc R U . . .
C42 C 0.4856(7) 0.7616(5) -0.0012(3) 0.0217(18) Uani 1 1 d . . . . .
H42A H 0.508525 0.709255 0.021747 0.026 Uiso 1 1 calc R U . . .
H42B H 0.477926 0.737340 -0.034972 0.026 Uiso 1 1 calc R U . . .
C43 C 0.3666(7) 0.8267(5) 0.0155(3) 0.0181(15) Uani 1 1 d . . . . .
H43 H 0.277346 0.811864 0.000995 0.022 Uiso 1 1 calc R U . . .
C44 C 0.4447(7) 0.9140(5) -0.0073(3) 0.0196(17) Uani 1 1 d . . . . .
C45 C 0.4309(7) 1.0135(5) 0.0167(3) 0.0203(17) Uani 1 1 d . . . . .
H45A H 0.503210 1.055597 0.005420 0.030 Uiso 1 1 calc R U . . .
H45B H 0.436083 1.006650 0.052103 0.030 Uiso 1 1 calc R U . . .
H45C H 0.344640 1.041892 0.007809 0.030 Uiso 1 1 calc R U . . .
C46 C 0.4187(7) 0.9251(5) -0.0615(3) 0.0246(18) Uani 1 1 d . . . . .
H46A H 0.327478 0.948676 -0.066618 0.037 Uiso 1 1 calc R U . . .
H46B H 0.429460 0.862575 -0.077606 0.037 Uiso 1 1 calc R U . . .
H46C H 0.482391 0.971309 -0.075281 0.037 Uiso 1 1 calc R U . . .
Cl1 Cl 0.59165(17) 0.62377(13) 0.35291(6) 0.0211(4) Uani 1 1 d . . . . .
Cl2 Cl -0.06715(16) 0.81135(13) 0.13835(7) 0.0194(4) Uani 1 1 d . . . . .
F1 F 0.1923(4) 0.5738(4) 0.12584(17) 0.0322(12) Uani 1 1 d . . . . .
F2 F 0.3116(4) 0.8696(3) 0.37028(16) 0.0318(12) Uani 1 1 d . . . . .
N1 N 0.5033(6) 0.6152(4) 0.2336(2) 0.0174(14) Uani 1 1 d . . . . .
N2 N 0.2535(5) 0.5967(4) 0.3467(2) 0.0151(13) Uani 1 1 d . . . . .
N3 N 0.0098(6) 0.8244(4) 0.2583(2) 0.0158(13) Uani 1 1 d . . . . .
N4 N 0.2706(5) 0.8368(5) 0.1485(2) 0.0163(14) Uani 1 1 d . . . . .
Pt1 Pt 0.40398(2) 0.60813(2) 0.29811(2) 0.01585(7) Uani 1 1 d . . . . .
Pt2 Pt 0.11530(2) 0.82965(2) 0.19554(2) 0.01523(7) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C12 1.391(10) . ?
C1 C8 1.400(10) . ?
C1 Pt1 1.907(7) . ?
C2 C34 1.381(10) . ?
C2 C30 1.402(10) . ?
C2 Pt2 1.911(7) . ?
C3 N1 1.350(9) . ?
C3 C4 1.363(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.369(11) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.385(10) . ?
C6 H6 0.9500 . ?
C7 N1 1.378(9) . ?
C7 C8 1.473(9) . ?
C8 C9 1.379(10) . ?
C9 F1 1.360(9) . ?
C9 C10 1.369(10) . ?
C10 C11 1.391(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(11) . ?
C11 H11 0.9500 . ?
C12 C13 1.466(10) . ?
C13 N2 1.375(9) . ?
C13 C14 1.376(10) . ?
C14 C15 1.386(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.412(10) . ?
C15 C18 1.512(10) . ?
C16 C17 1.367(10) . ?
C16 C21 1.494(11) . ?
C17 N2 1.374(10) . ?
C17 H17 0.9500 . ?
C18 C19 1.531(11) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C22 1.544(11) . ?
C19 C20 1.548(11) . ?
C19 H19 1.0000 . ?
C20 C21 1.561(10) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.562(10) . ?
C21 H21 1.0000 . ?
C22 C23 1.510(11) . ?
C22 C24 1.527(11) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 N3 1.340(9) . ?
C25 C26 1.370(10) . ?
C25 H25 0.9500 . ?
C26 C27 1.370(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.392(10) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(10) . ?
C28 H28 0.9500 . ?
C29 N3 1.379(9) . ?
C29 C30 1.468(9) . ?
C30 C31 1.378(10) . ?
C31 F2 1.369(8) . ?
C31 C32 1.394(10) . ?
C32 C33 1.373(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.400(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.471(9) . ?
C35 N4 1.380(9) . ?
C35 C36 1.381(10) . ?
C36 C37 1.378(11) . ?
C36 H36 0.9500 . ?
C37 C38 1.404(10) . ?
C37 C40 1.517(10) . ?
C38 C39 1.382(9) . ?
C38 C43 1.501(10) . ?
C39 N4 1.345(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.531(10) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 C42 1.554(9) . ?
C41 C44 1.563(10) . ?
C41 H41 1.0000 . ?
C42 C43 1.564(10) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.571(10) . ?
C43 H43 1.0000 . ?
C44 C46 1.523(10) . ?
C44 C45 1.537(10) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
Cl1 Pt1 2.4183(17) . ?
Cl2 Pt2 2.4239(17) . ?
N1 Pt1 2.035(6) . ?
N2 Pt1 2.021(6) . ?
N3 Pt2 2.026(6) . ?
N4 Pt2 2.026(6) . ?

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
C12 C1 C8 122.6(7) . . ?
C12 C1 Pt1 118.8(6) . . ?
C8 C1 Pt1 118.5(5) . . ?
C34 C2 C30 123.4(7) . . ?
C34 C2 Pt2 119.2(6) . . ?
C30 C2 Pt2 117.4(5) . . ?
N1 C3 C4 122.9(7) . . ?
N1 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
C3 C4 C5 119.1(7) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 119.6(7) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C7 C6 C5 119.7(7) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
N1 C7 C6 120.0(6) . . ?
N1 C7 C8 113.1(7) . . ?
C6 C7 C8 126.9(7) . . ?
C9 C8 C1 116.7(6) . . ?
C9 C8 C7 130.5(7) . . ?
C1 C8 C7 112.8(6) . . ?
F1 C9 C10 118.5(7) . . ?
F1 C9 C8 119.1(7) . . ?
C10 C9 C8 122.4(7) . . ?
C9 C10 C11 120.5(7) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 119.3(7) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C1 C12 C11 118.5(7) . . ?
C1 C12 C13 112.9(7) . . ?
C11 C12 C13 128.6(7) . . ?
N2 C13 C14 120.9(7) . . ?
N2 C13 C12 112.2(7) . . ?
C14 C13 C12 126.8(7) . . ?
C13 C14 C15 120.5(7) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C16 118.6(7) . . ?
C14 C15 C18 123.5(7) . . ?
C16 C15 C18 117.9(7) . . ?
C17 C16 C15 119.2(7) . . ?
C17 C16 C21 123.9(7) . . ?
C15 C16 C21 116.9(7) . . ?
C16 C17 N2 122.1(7) . . ?
C16 C17 H17 119.0 . . ?
N2 C17 H17 119.0 . . ?
C15 C18 C19 110.4(6) . . ?
C15 C18 H18A 109.6 . . ?
C19 C18 H18A 109.6 . . ?
C15 C18 H18B 109.6 . . ?
C19 C18 H18B 109.6 . . ?
H18A C18 H18B 108.1 . . ?
C18 C19 C22 112.2(7) . . ?
C18 C19 C20 108.4(7) . . ?
C22 C19 C20 88.0(6) . . ?
C18 C19 H19 115.1 . . ?
C22 C19 H19 115.1 . . ?
C20 C19 H19 115.1 . . ?
C19 C20 C21 85.6(6) . . ?
C19 C20 H20A 114.4 . . ?
C21 C20 H20A 114.4 . . ?
C19 C20 H20B 114.4 . . ?
C21 C20 H20B 114.4 . . ?
H20A C20 H20B 111.5 . . ?
C16 C21 C20 106.0(6) . . ?
C16 C21 C22 110.6(6) . . ?
C20 C21 C22 86.9(5) . . ?
C16 C21 H21 116.5 . . ?
C20 C21 H21 116.5 . . ?
C22 C21 H21 116.5 . . ?
C23 C22 C24 108.9(7) . . ?
C23 C22 C19 118.2(7) . . ?
C24 C22 C19 113.4(7) . . ?
C23 C22 C21 118.2(7) . . ?
C24 C22 C21 110.8(6) . . ?
C19 C22 C21 85.8(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 C26 122.6(7) . . ?
N3 C25 H25 118.7 . . ?
C26 C25 H25 118.7 . . ?
C25 C26 C27 119.7(6) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 119.0(7) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C29 C28 C27 119.6(7) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
N3 C29 C28 120.5(6) . . ?
N3 C29 C30 112.9(6) . . ?
C28 C29 C30 126.6(7) . . ?
C31 C30 C2 115.9(6) . . ?
C31 C30 C29 130.5(7) . . ?
C2 C30 C29 113.5(6) . . ?
F2 C31 C30 120.1(6) . . ?
F2 C31 C32 117.4(7) . . ?
C30 C31 C32 122.5(7) . . ?
C33 C32 C31 119.8(7) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C32 C33 C34 120.0(7) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C2 C34 C33 118.3(7) . . ?
C2 C34 C35 112.8(7) . . ?
C33 C34 C35 128.9(7) . . ?
N4 C35 C36 120.6(6) . . ?
N4 C35 C34 112.5(7) . . ?
C36 C35 C34 126.9(7) . . ?
C37 C36 C35 120.4(7) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 118.8(7) . . ?
C36 C37 C40 123.0(6) . . ?
C38 C37 C40 118.1(7) . . ?
C39 C38 C37 118.8(7) . . ?
C39 C38 C43 124.1(6) . . ?
C37 C38 C43 117.1(6) . . ?
N4 C39 C38 122.3(6) . . ?
N4 C39 H39 118.8 . . ?
C38 C39 H39 118.8 . . ?
C37 C40 C41 110.2(6) . . ?
C37 C40 H40A 109.6 . . ?
C41 C40 H40A 109.6 . . ?
C37 C40 H40B 109.6 . . ?
C41 C40 H40B 109.6 . . ?
H40A C40 H40B 108.1 . . ?
C40 C41 C42 109.2(6) . . ?
C40 C41 C44 112.1(6) . . ?
C42 C41 C44 87.7(5) . . ?
C40 C41 H41 114.9 . . ?
C42 C41 H41 114.9 . . ?
C44 C41 H41 114.9 . . ?
C41 C42 C43 85.7(5) . . ?
C41 C42 H42A 114.4 . . ?
C43 C42 H42A 114.4 . . ?
C41 C42 H42B 114.4 . . ?
C43 C42 H42B 114.4 . . ?
H42A C42 H42B 111.5 . . ?
C38 C43 C42 107.6(6) . . ?
C38 C43 C44 109.1(6) . . ?
C42 C43 C44 87.1(5) . . ?
C38 C43 H43 116.4 . . ?
C42 C43 H43 116.4 . . ?
C44 C43 H43 116.4 . . ?
C46 C44 C45 108.3(6) . . ?
C46 C44 C41 113.0(6) . . ?
C45 C44 C41 118.0(6) . . ?
C46 C44 C43 112.5(6) . . ?
C45 C44 C43 118.5(6) . . ?
C41 C44 C43 85.2(5) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C3 N1 C7 118.7(6) . . ?
C3 N1 Pt1 126.5(5) . . ?
C7 N1 Pt1 114.8(4) . . ?
C17 N2 C13 118.7(6) . . ?
C17 N2 Pt1 125.3(5) . . ?
C13 N2 Pt1 115.9(5) . . ?
C25 N3 C29 118.6(6) . . ?
C25 N3 Pt2 126.6(5) . . ?
C29 N3 Pt2 114.8(4) . . ?
C39 N4 C35 119.0(6) . . ?
C39 N4 Pt2 125.5(5) . . ?
C35 N4 Pt2 115.4(5) . . ?
C1 Pt1 N2 80.0(3) . . ?
C1 Pt1 N1 80.8(3) . . ?
N2 Pt1 N1 160.8(2) . . ?
C1 Pt1 Cl1 178.0(2) . . ?
N2 Pt1 Cl1 100.04(18) . . ?
N1 Pt1 Cl1 99.15(17) . . ?
C2 Pt2 N3 81.3(3) . . ?
C2 Pt2 N4 80.0(3) . . ?
N3 Pt2 N4 161.3(2) . . ?
C2 Pt2 Cl2 177.8(2) . . ?
N3 Pt2 Cl2 99.00(18) . . ?
N4 Pt2 Cl2 99.71(17) . . ?

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
N1 C3 C4 C5 -0.2(11) . . . . ?
C3 C4 C5 C6 0.0(11) . . . . ?
C4 C5 C6 C7 -0.2(11) . . . . ?
C5 C6 C7 N1 0.5(10) . . . . ?
C5 C6 C7 C8 179.7(6) . . . . ?
C12 C1 C8 C9 -1.0(10) . . . . ?
Pt1 C1 C8 C9 177.7(5) . . . . ?
C12 C1 C8 C7 -179.5(6) . . . . ?
Pt1 C1 C8 C7 -0.7(8) . . . . ?
N1 C7 C8 C9 -176.3(7) . . . . ?
C6 C7 C8 C9 4.5(12) . . . . ?
N1 C7 C8 C1 1.9(8) . . . . ?
C6 C7 C8 C1 -177.3(7) . . . . ?
C1 C8 C9 F1 -179.0(6) . . . . ?
C7 C8 C9 F1 -0.9(12) . . . . ?
C1 C8 C9 C10 1.1(11) . . . . ?
C7 C8 C9 C10 179.1(7) . . . . ?
F1 C9 C10 C11 179.2(6) . . . . ?
C8 C9 C10 C11 -0.8(12) . . . . ?
C9 C10 C11 C12 0.5(11) . . . . ?
C8 C1 C12 C11 0.8(11) . . . . ?
Pt1 C1 C12 C11 -178.0(5) . . . . ?
C8 C1 C12 C13 -179.6(6) . . . . ?
Pt1 C1 C12 C13 1.7(8) . . . . ?
C10 C11 C12 C1 -0.4(11) . . . . ?
C10 C11 C12 C13 180.0(7) . . . . ?
C1 C12 C13 N2 0.3(9) . . . . ?
C11 C12 C13 N2 179.9(6) . . . . ?
C1 C12 C13 C14 -178.1(7) . . . . ?
C11 C12 C13 C14 1.5(13) . . . . ?
N2 C13 C14 C15 -0.2(11) . . . . ?
C12 C13 C14 C15 178.1(7) . . . . ?
C13 C14 C15 C16 0.4(11) . . . . ?
C13 C14 C15 C18 -177.2(7) . . . . ?
C14 C15 C16 C17 0.4(11) . . . . ?
C18 C15 C16 C17 178.2(6) . . . . ?
C14 C15 C16 C21 -177.7(7) . . . . ?
C18 C15 C16 C21 0.1(10) . . . . ?
C15 C16 C17 N2 -1.5(11) . . . . ?
C21 C16 C17 N2 176.4(7) . . . . ?
C14 C15 C18 C19 177.0(7) . . . . ?
C16 C15 C18 C19 -0.6(10) . . . . ?
C15 C18 C19 C22 48.2(9) . . . . ?
C15 C18 C19 C20 -47.3(9) . . . . ?
C18 C19 C20 C21 85.1(7) . . . . ?
C22 C19 C20 C21 -27.7(6) . . . . ?
C17 C16 C21 C20 -130.8(7) . . . . ?
C15 C16 C21 C20 47.1(9) . . . . ?
C17 C16 C21 C22 136.5(7) . . . . ?
C15 C16 C21 C22 -45.6(9) . . . . ?
C19 C20 C21 C16 -83.2(6) . . . . ?
C19 C20 C21 C22 27.4(6) . . . . ?
C18 C19 C22 C23 38.5(10) . . . . ?
C20 C19 C22 C23 147.5(7) . . . . ?
C18 C19 C22 C24 167.7(7) . . . . ?
C20 C19 C22 C24 -83.2(7) . . . . ?
C18 C19 C22 C21 -81.4(7) . . . . ?
C20 C19 C22 C21 27.7(6) . . . . ?
C16 C21 C22 C23 -41.4(9) . . . . ?
C20 C21 C22 C23 -147.3(7) . . . . ?
C16 C21 C22 C24 -168.1(7) . . . . ?
C20 C21 C22 C24 86.0(7) . . . . ?
C16 C21 C22 C19 78.5(7) . . . . ?
C20 C21 C22 C19 -27.4(6) . . . . ?
N3 C25 C26 C27 1.2(11) . . . . ?
C25 C26 C27 C28 0.2(10) . . . . ?
C26 C27 C28 C29 -0.9(11) . . . . ?
C27 C28 C29 N3 0.1(10) . . . . ?
C27 C28 C29 C30 -178.9(7) . . . . ?
C34 C2 C30 C31 1.3(10) . . . . ?
Pt2 C2 C30 C31 -179.1(5) . . . . ?
C34 C2 C30 C29 -178.6(6) . . . . ?
Pt2 C2 C30 C29 1.0(8) . . . . ?
N3 C29 C30 C31 177.4(7) . . . . ?
C28 C29 C30 C31 -3.5(12) . . . . ?
N3 C29 C30 C2 -2.7(8) . . . . ?
C28 C29 C30 C2 176.4(7) . . . . ?
C2 C30 C31 F2 178.4(6) . . . . ?
C29 C30 C31 F2 -1.8(11) . . . . ?
C2 C30 C31 C32 -0.5(10) . . . . ?
C29 C30 C31 C32 179.3(7) . . . . ?
F2 C31 C32 C33 -178.5(6) . . . . ?
C30 C31 C32 C33 0.5(11) . . . . ?
C31 C32 C33 C34 -1.1(11) . . . . ?
C30 C2 C34 C33 -1.9(10) . . . . ?
Pt2 C2 C34 C33 178.5(5) . . . . ?
C30 C2 C34 C35 178.6(6) . . . . ?
Pt2 C2 C34 C35 -1.0(8) . . . . ?
C32 C33 C34 C2 1.8(10) . . . . ?
C32 C33 C34 C35 -178.8(6) . . . . ?
C2 C34 C35 N4 -1.3(8) . . . . ?
C33 C34 C35 N4 179.2(6) . . . . ?
C2 C34 C35 C36 -178.9(6) . . . . ?
C33 C34 C35 C36 1.7(11) . . . . ?
N4 C35 C36 C37 0.5(10) . . . . ?
C34 C35 C36 C37 177.9(6) . . . . ?
C35 C36 C37 C38 -0.4(10) . . . . ?
C35 C36 C37 C40 177.4(6) . . . . ?
C36 C37 C38 C39 0.0(10) . . . . ?
C40 C37 C38 C39 -177.9(6) . . . . ?
C36 C37 C38 C43 177.9(6) . . . . ?
C40 C37 C38 C43 0.0(9) . . . . ?
C37 C38 C39 N4 0.2(11) . . . . ?
C43 C38 C39 N4 -177.5(7) . . . . ?
C36 C37 C40 C41 -177.0(6) . . . . ?
C38 C37 C40 C41 0.9(8) . . . . ?
C37 C40 C41 C42 -48.8(7) . . . . ?
C37 C40 C41 C44 46.7(7) . . . . ?
C40 C41 C42 C43 84.4(6) . . . . ?
C44 C41 C42 C43 -28.2(5) . . . . ?
C39 C38 C43 C42 -136.3(7) . . . . ?
C37 C38 C43 C42 45.9(8) . . . . ?
C39 C38 C43 C44 130.6(7) . . . . ?
C37 C38 C43 C44 -47.1(8) . . . . ?
C41 C42 C43 C38 -81.0(6) . . . . ?
C41 C42 C43 C44 28.0(5) . . . . ?
C40 C41 C44 C46 165.8(6) . . . . ?
C42 C41 C44 C46 -84.4(7) . . . . ?
C40 C41 C44 C45 38.1(9) . . . . ?
C42 C41 C44 C45 147.9(7) . . . . ?
C40 C41 C44 C43 -81.8(6) . . . . ?
C42 C41 C44 C43 28.1(5) . . . . ?
C38 C43 C44 C46 -167.3(6) . . . . ?
C42 C43 C44 C46 85.1(6) . . . . ?
C38 C43 C44 C45 -39.6(9) . . . . ?
C42 C43 C44 C45 -147.2(7) . . . . ?
C38 C43 C44 C41 79.7(6) . . . . ?
C42 C43 C44 C41 -27.9(5) . . . . ?
C4 C3 N1 C7 0.6(10) . . . . ?
C4 C3 N1 Pt1 -177.0(5) . . . . ?
C6 C7 N1 C3 -0.7(9) . . . . ?
C8 C7 N1 C3 -180.0(6) . . . . ?
C6 C7 N1 Pt1 177.1(5) . . . . ?
C8 C7 N1 Pt1 -2.1(7) . . . . ?
C16 C17 N2 C13 1.7(10) . . . . ?
C16 C17 N2 Pt1 -175.4(5) . . . . ?
C14 C13 N2 C17 -0.8(10) . . . . ?
C12 C13 N2 C17 -179.3(6) . . . . ?
C14 C13 N2 Pt1 176.5(5) . . . . ?
C12 C13 N2 Pt1 -2.0(8) . . . . ?
C26 C25 N3 C29 -1.9(10) . . . . ?
C26 C25 N3 Pt2 175.0(5) . . . . ?
C28 C29 N3 C25 1.3(9) . . . . ?
C30 C29 N3 C25 -179.6(6) . . . . ?
C28 C29 N3 Pt2 -176.0(5) . . . . ?
C30 C29 N3 Pt2 3.1(7) . . . . ?
C38 C39 N4 C35 -0.1(11) . . . . ?
C38 C39 N4 Pt2 178.8(5) . . . . ?
C36 C35 N4 C39 -0.2(10) . . . . ?
C34 C35 N4 C39 -178.0(6) . . . . ?
C36 C35 N4 Pt2 -179.3(5) . . . . ?
C34 C35 N4 Pt2 3.0(7) . . . . ?

_refine_diff_density_max         0.954
_refine_diff_density_min         -1.002
_refine_diff_density_rms         0.134



####################################################################### 
# 
# 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_AD5_twin1_hklf5
_database_code_depnum_ccdc_archive 'CCDC 2066697'
loop_
_audit_author_name
_audit_author_address
'X.-P. Zhang'
;Hainan Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;
_audit_creation_method           
;
FinalCif V69 by Daniel Kratzert, Freiburg 2019,
https://github.com/dkratzert/FinalCif
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_sum            'C24 H22 Cl3 F N2 Pt'
_chemical_formula_moiety         'C23 H20 Cl F N2 Pt, C H2 Cl2'
_chemical_formula_weight         658.87
_chemical_melting_point          ?
_chemical_absolute_configuration ad
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
_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'

_cell_length_a                   7.1424(5)
_cell_length_b                   9.1357(9)
_cell_length_c                   18.4824(14)
_cell_angle_alpha                96.097(8)
_cell_angle_beta                 100.086(6)
_cell_angle_gamma                92.237(7)
_cell_volume                     1178.59(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3164
_cell_measurement_theta_min      2.9630
_cell_measurement_theta_max      26.5360
_exptl_crystal_description       block
_exptl_crystal_colour            green-yellow
_exptl_crystal_recrystallization_method ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    6.315
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.13414
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;

CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_shelx_estimated_absorpt_T_min   0.291
_shelx_estimated_absorpt_T_max   0.413
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_special_details           ?
_diffrn_ambient_temperature      298(2)
_diffrn_ambient_environment      ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            Atlas
_diffrn_detector_area_resol_mean 10.5095
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support ?
_diffrn_measurement_details      
;

List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -19.00  82.00   1.00    4.00    --   10.97  77.00 120.00  101
  2  ω     -6.00  81.00   1.00    4.00    --   10.97  77.00-120.00   87
  3  ω     38.00  63.00   1.00    4.00    --  -12.76  77.00-150.00   25
  4  ω    -41.00  59.00   1.00    4.00    --  -12.76  77.00 -30.00  100
;
_diffrn_reflns_number            8968
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_av_sigmaI/netI    0.0965
_diffrn_reflns_theta_min         2.394
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.691
_diffrn_reflns_point_group_measured_fraction_full 0.691
_reflns_number_total             8968
_reflns_number_gt                6979
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.384
_reflns_Friedel_fraction_max     0.383
_reflns_Friedel_fraction_full    0.383
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           fullcycle
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1726P)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_number_reflns         8968
_refine_ls_number_parameters     492
_refine_ls_number_restraints     622
_refine_ls_R_factor_all          0.1002
_refine_ls_R_factor_gt           0.0792
_refine_ls_wR_factor_ref         0.2332
_refine_ls_wR_factor_gt          0.2133
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.259
_refine_diff_density_min         -1.637
_refine_diff_density_rms         0.254
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_Flack   0.04(2)
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;

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'
F F 0.0171 0.0103 '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'

_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_
_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_1 C 0.753116 0.438144 0.803607 0.039(4) Uani 1 1 d G U . . .
C2_1 C 0.824770 0.458594 0.879129 0.039(5) Uani 1 1 d G U . . .
C3_1 C 0.895140 0.340703 0.915107 0.044(6) Uani 1 1 d G U . . .
H3_1 H 0.943081 0.354385 0.965636 0.053 Uiso 1 1 calc R U . . .
C4_1 C 0.893855 0.202361 0.875563 0.045(6) Uani 1 1 d G U . . .
H4_1 H 0.940937 0.123484 0.899635 0.055 Uiso 1 1 calc R U . . .
C5_1 C 0.822201 0.181909 0.800041 0.046(6) Uani 1 1 d G U . . .
H5_1 H 0.821342 0.089349 0.773584 0.056 Uiso 1 1 calc R U . . .
C6_1 C 0.751831 0.299799 0.764063 0.042(5) Uani 1 1 d G U . . .
N1_1 N 0.731052 0.692686 0.869546 0.043(5) Uani 1 1 d G U . . .
C7_1 C 0.811310 0.604279 0.922097 0.043(5) Uani 1 1 d G U . . .
C8_1 C 0.859999 0.662014 0.996022 0.047(6) Uani 1 1 d G U . . .
C9_1 C 0.828429 0.808156 1.017395 0.053(7) Uani 1 1 d G U . . .
H9_1 H 0.861005 0.846784 1.066855 0.064 Uiso 1 1 calc R U . . .
C10_1 C 0.748171 0.896565 0.964844 0.054(7) Uani 1 1 d G U . . .
H10_1 H 0.727049 0.994344 0.979144 0.064 Uiso 1 1 calc R U . . .
C11_1 C 0.699481 0.838832 0.890919 0.047(6) Uani 1 1 d G U . . .
H11_1 H 0.645783 0.897984 0.855759 0.056 Uiso 1 1 calc R U . . .
N2_1 N 0.615664 0.445063 0.673952 0.044(4) Uani 1 1 d G U . . .
C12_1 C 0.668303 0.305531 0.689939 0.046(5) Uani 1 1 d G U . . .
C13_1 C 0.629669 0.186291 0.635166 0.055(6) Uani 1 1 d G U . . .
H13_1 H 0.664888 0.092935 0.645863 0.066 Uiso 1 1 calc R U . . .
C14_1 C 0.538396 0.206582 0.564405 0.059(6) Uani 1 1 d G U . . .
C15_1 C 0.485756 0.346113 0.548417 0.059(6) Uani 1 1 d G U . . .
C16_1 C 0.524389 0.465354 0.603189 0.052(6) Uani 1 1 d G U . . .
H16_1 H 0.489170 0.558710 0.592492 0.062 Uiso 1 1 calc R U . . .
F1_1 F 0.940570 0.568100 1.043352 0.065(7) Uani 1 1 d . U . . .
Cl1_1 Cl 0.549300 0.809337 0.699628 0.059(5) Uani 1 1 d . U . . .
Pt1_1 Pt 0.656983 0.597969 0.761818 0.0424(8) Uani 1 1 d . U . . .
C17_1 C 0.513146 0.088385 0.500422 0.068(6) Uani 1 1 d . U . . .
H17A_1 H 0.449122 0.002272 0.513729 0.082 Uiso 1 1 calc R U . . .
H17B_1 H 0.638122 0.060898 0.492099 0.082 Uiso 1 1 calc R U . . .
C18_1 C 0.399745 0.129689 0.427437 0.074(6) Uani 1 1 d D U . . .
H18_1 H 0.367103 0.051728 0.385850 0.089 Uiso 1 1 calc R U . . .
C19_1 C 0.468430 0.282486 0.410921 0.075(6) Uani 1 1 d D U . . .
C20_1 C 0.379143 0.360481 0.473618 0.070(6) Uani 1 1 d D U . . .
H20_1 H 0.328728 0.456828 0.465560 0.085 Uiso 1 1 calc R U . . .
C21_1 C 0.238847 0.224427 0.447909 0.074(6) Uani 1 1 d D U . . .
H21A_1 H 0.181707 0.190099 0.487409 0.089 Uiso 1 1 calc R U . . .
H21B_1 H 0.141662 0.237737 0.405756 0.089 Uiso 1 1 calc R U . . .
C22_1 C 0.419627 0.310508 0.334950 0.087(10) Uani 1 1 d . U . . .
H22A_1 H 0.512367 0.270431 0.307769 0.130 Uiso 1 1 calc R U . . .
H22B_1 H 0.417909 0.414928 0.332596 0.130 Uiso 1 1 calc R U . . .
H22C_1 H 0.296045 0.264860 0.313800 0.130 Uiso 1 1 calc R U . . .
C23_1 C 0.709289 0.304452 0.429702 0.079(10) Uani 1 1 d . U . . .
H23A_1 H 0.760041 0.261652 0.388056 0.119 Uiso 1 1 calc R U . . .
H23B_1 H 0.757188 0.256479 0.472368 0.119 Uiso 1 1 calc R U . . .
H23C_1 H 0.747141 0.407673 0.439325 0.119 Uiso 1 1 calc R U . . .
C1_2 C 0.333687 0.601320 -0.058691 0.042(4) Uani 1 1 d G U . . .
C2_2 C 0.334292 0.734652 -0.014728 0.046(5) Uani 1 1 d G U . . .
C3_2 C 0.259018 0.856428 -0.045857 0.052(6) Uani 1 1 d G U . . .
H3_2 H 0.259423 0.945636 -0.016442 0.063 Uiso 1 1 calc R U . . .
C4_2 C 0.183138 0.844874 -0.120950 0.052(6) Uani 1 1 d G U . . .
H4_2 H 0.132775 0.926351 -0.141777 0.062 Uiso 1 1 calc R U . . .
C5_2 C 0.182532 0.711543 -0.164914 0.045(6) Uani 1 1 d G U . . .
H5_2 H 0.131763 0.703813 -0.215156 0.054 Uiso 1 1 calc R U . . .
C6_2 C 0.257805 0.589765 -0.133786 0.043(5) Uani 1 1 d G U . . .
N1_2 N 0.358093 0.336775 -0.113240 0.037(4) Uani 1 1 d G U . . .
C7_2 C 0.274153 0.430416 -0.162427 0.042(5) Uani 1 1 d G U . . .
C8_2 C 0.217885 0.379143 -0.236943 0.049(6) Uani 1 1 d G U . . .
C9_2 C 0.245557 0.234229 -0.262272 0.052(7) Uani 1 1 d G U . . .
H9_2 H 0.207910 0.199925 -0.312128 0.062 Uiso 1 1 calc R U . . .
C10_2 C 0.329497 0.140587 -0.213085 0.049(7) Uani 1 1 d G U . . .
H10_2 H 0.348011 0.043630 -0.230032 0.059 Uiso 1 1 calc R U . . .
C11_2 C 0.385766 0.191858 -0.138569 0.042(6) Uani 1 1 d G U . . .
H11_2 H 0.441927 0.129205 -0.105660 0.050 Uiso 1 1 calc R U . . .
N2_2 N 0.482083 0.584356 0.079015 0.051(6) Uani 1 1 d G U . . .
C12_2 C 0.425400 0.723746 0.064513 0.050(5) Uani 1 1 d G U . . .
C13_2 C 0.461244 0.841159 0.120352 0.059(7) Uani 1 1 d G U . . .
H13_2 H 0.423319 0.934420 0.110650 0.071 Uiso 1 1 calc R U . . .
C14_2 C 0.553771 0.819183 0.190693 0.063(6) Uani 1 1 d G U . . .
C15_2 C 0.610454 0.679794 0.205195 0.063(6) Uani 1 1 d G U . . .
C16_2 C 0.574612 0.562380 0.149357 0.056(6) Uani 1 1 d G U . . .
H16_2 H 0.612537 0.469119 0.159060 0.067 Uiso 1 1 calc R U . . .
F1_2 F 0.138519 0.453288 -0.283577 0.068(8) Uani 1 1 d . U . . .
Cl1_2 Cl 0.540485 0.219529 0.048829 0.063(5) Uani 1 1 d . U . . .
Pt1_2 Pt 0.426931 0.427796 -0.010707 0.0406(8) Uani 1 1 d . U . . .
C17_2 C 0.623854 0.943133 0.249829 0.071(7) Uani 1 1 d . U . . .
H17A_2 H 0.518520 1.000354 0.260691 0.085 Uiso 1 1 calc R U . . .
H17B_2 H 0.715582 1.007753 0.233774 0.085 Uiso 1 1 calc R U . . .
C18_2 C 0.719280 0.874744 0.320128 0.075(6) Uani 1 1 d D U . . .
H18_2 H 0.753181 0.946963 0.364149 0.090 Uiso 1 1 calc R U . . .
C19_2 C 0.575166 0.745979 0.329713 0.076(7) Uani 1 1 d D U . . .
H19A_2 H 0.582380 0.720106 0.379647 0.091 Uiso 1 1 calc R U . . .
H19B_2 H 0.445175 0.750498 0.304111 0.091 Uiso 1 1 calc R U . . .
C20_2 C 0.711693 0.668307 0.284100 0.073(6) Uani 1 1 d D U . . .
H20_2 H 0.738581 0.567831 0.295087 0.088 Uiso 1 1 calc R U . . .
C21_2 C 0.884805 0.780766 0.304464 0.076(6) Uani 1 1 d D U . . .
C22_2 C 0.998160 0.812150 0.243597 0.085(10) Uani 1 1 d D U . . .
H22A_2 H 0.912151 0.810836 0.197345 0.127 Uiso 1 1 calc R U . . .
H22B_2 H 1.088259 0.737909 0.239160 0.127 Uiso 1 1 calc R U . . .
H22C_2 H 1.064717 0.907265 0.256352 0.127 Uiso 1 1 calc R U . . .
C23_2 C 1.019145 0.738080 0.372534 0.092(11) Uani 1 1 d D U . . .
H23A_2 H 0.972625 0.646217 0.385543 0.138 Uiso 1 1 calc R U . . .
H23B_2 H 1.024135 0.813513 0.413274 0.138 Uiso 1 1 calc R U . . .
H23C_2 H 1.144516 0.727871 0.361267 0.138 Uiso 1 1 calc R U . . .
C1_3 C 1.013460 0.748992 0.628156 0.113(11) Uani 1 1 d . U . . .
H1A_3 H 1.137679 0.743697 0.658634 0.136 Uiso 1 1 calc R U . . .
H1B_3 H 0.918342 0.747423 0.659681 0.136 Uiso 1 1 calc R U . . .
Cl1_3 Cl 1.005708 0.917426 0.585202 0.126(7) Uani 1 1 d . U . . .
Cl2_3 Cl 0.970611 0.602157 0.561765 0.117(6) Uani 1 1 d . U . . .
Cl3_3 Cl 0.037836 0.395610 0.198352 0.28(2) Uani 1 1 d . U . . .
Cl4_3 Cl 0.080546 0.117605 0.146359 0.26(2) Uani 1 1 d . U . . .
C2_3 C 0.057719 0.267684 0.125255 0.27(2) Uani 1 1 d . U . . .
H2A_3 H -0.055184 0.266864 0.087388 0.322 Uiso 1 1 calc R U . . .
H2B_3 H 0.166533 0.297079 0.104128 0.322 Uiso 1 1 calc R U . . .


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_1 C2_1 1.3900 . ?
C1_1 C6_1 1.3900 . ?
C1_1 Pt1_1 1.8254 . ?
C2_1 C3_1 1.3900 . ?
C2_1 C7_1 1.4911 . ?
C3_1 C4_1 1.3900 . ?
C3_1 H3_1 0.9300 . ?
C4_1 C5_1 1.3900 . ?
C4_1 H4_1 0.9300 . ?
C5_1 C6_1 1.3900 . ?
C5_1 H5_1 0.9300 . ?
C6_1 C12_1 1.4025 . ?
N1_1 C7_1 1.3900 . ?
N1_1 C11_1 1.3900 . ?
N1_1 Pt1_1 2.0548 . ?
C7_1 C8_1 1.3900 . ?
C8_1 F1_1 1.3617 . ?
C8_1 C9_1 1.3900 . ?
C9_1 C10_1 1.3900 . ?
C9_1 H9_1 0.9300 . ?
C10_1 C11_1 1.3900 . ?
C10_1 H10_1 0.9300 . ?
C11_1 H11_1 0.9300 . ?
N2_1 C12_1 1.3900 . ?
N2_1 C16_1 1.3900 . ?
N2_1 Pt1_1 1.9984 . ?
C12_1 C13_1 1.3900 . ?
C13_1 C14_1 1.3900 . ?
C13_1 H13_1 0.9300 . ?
C14_1 C15_1 1.3900 . ?
C14_1 C17_1 1.4953 . ?
C15_1 C16_1 1.3900 . ?
C15_1 C20_1 1.4785 . ?
C16_1 H16_1 0.9300 . ?
Cl1_1 Pt1_1 2.4329 . ?
C17_1 C18_1 1.5386 . ?
C17_1 H17A_1 0.9700 . ?
C17_1 H17B_1 0.9700 . ?
C18_1 C19_1 1.5401 . ?
C18_1 C21_1 1.5405 . ?
C18_1 H18_1 0.9800 . ?
C19_1 C22_1 1.4389 . ?
C19_1 C20_1 1.5415 . ?
C19_1 C23_1 1.6939 . ?
C19_1 C21_1 1.9594 . ?
C20_1 C21_1 1.5445 . ?
C20_1 H20_1 0.9800 . ?
C21_1 H21A_1 0.9700 . ?
C21_1 H21B_1 0.9700 . ?
C22_1 H22A_1 0.9600 . ?
C22_1 H22B_1 0.9600 . ?
C22_1 H22C_1 0.9600 . ?
C23_1 H23A_1 0.9600 . ?
C23_1 H23B_1 0.9600 . ?
C23_1 H23C_1 0.9600 . ?
C1_2 C2_2 1.3900 . ?
C1_2 C6_2 1.3900 . ?
C1_2 Pt1_2 1.9792 . ?
C2_2 C3_2 1.3900 . ?
C2_2 C12_2 1.5102 . ?
C3_2 C4_2 1.3900 . ?
C3_2 H3_2 0.9300 . ?
C4_2 C5_2 1.3900 . ?
C4_2 H4_2 0.9300 . ?
C5_2 C6_2 1.3900 . ?
C5_2 H5_2 0.9300 . ?
C6_2 C7_2 1.5114 . ?
N1_2 C7_2 1.3900 . ?
N1_2 C11_2 1.3900 . ?
N1_2 Pt1_2 1.9574 . ?
C7_2 C8_2 1.3900 . ?
C8_2 F1_2 1.2272 . ?
C8_2 C9_2 1.3900 . ?
C9_2 C10_2 1.3900 . ?
C9_2 H9_2 0.9300 . ?
C10_2 C11_2 1.3900 . ?
C10_2 H10_2 0.9300 . ?
C11_2 H11_2 0.9300 . ?
N2_2 C12_2 1.3900 . ?
N2_2 C16_2 1.3900 . ?
N2_2 Pt1_2 2.0431 . ?
C12_2 C13_2 1.3900 . ?
C13_2 C14_2 1.3900 . ?
C13_2 H13_2 0.9300 . ?
C14_2 C15_2 1.3900 . ?
C14_2 C17_2 1.4929 . ?
C15_2 C16_2 1.3900 . ?
C15_2 C20_2 1.5264 . ?
C16_2 H16_2 0.9300 . ?
Cl1_2 Pt1_2 2.3961 . ?
C17_2 C18_2 1.5616 . ?
C17_2 H17A_2 0.9700 . ?
C17_2 H17B_2 0.9700 . ?
C18_2 C21_2 1.5378 . ?
C18_2 C19_2 1.5774 . ?
C18_2 C20_2 1.9276 . ?
C18_2 H18_2 0.9800 . ?
C19_2 C20_2 1.5427 . ?
C19_2 H19A_2 0.9700 . ?
C19_2 H19B_2 0.9700 . ?
C20_2 C21_2 1.5433 . ?
C20_2 H20_2 0.9800 . ?
C21_2 C23_2 1.5382 . ?
C21_2 C22_2 1.5403 . ?
C22_2 H22A_2 0.9600 . ?
C22_2 H22B_2 0.9600 . ?
C22_2 H22C_2 0.9600 . ?
C23_2 H23A_2 0.9600 . ?
C23_2 H23B_2 0.9600 . ?
C23_2 H23C_2 0.9600 . ?
C1_3 Cl2_3 1.6987 . ?
C1_3 Cl1_3 1.8033 . ?
C1_3 H1A_3 0.9700 . ?
C1_3 H1B_3 0.9700 . ?
Cl3_3 C2_3 1.7193 . ?
Cl4_3 C2_3 1.4722 . ?
C2_3 H2A_3 0.9700 . ?
C2_3 H2B_3 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
C2_1 C1_1 C6_1 120.0 . . ?
C2_1 C1_1 Pt1_1 116.8 . . ?
C6_1 C1_1 Pt1_1 123.1 . . ?
C3_1 C2_1 C1_1 120.0 . . ?
C3_1 C2_1 C7_1 120.3 . . ?
C1_1 C2_1 C7_1 119.5 . . ?
C4_1 C3_1 C2_1 120.0 . . ?
C4_1 C3_1 H3_1 120.0 . . ?
C2_1 C3_1 H3_1 120.0 . . ?
C3_1 C4_1 C5_1 120.0 . . ?
C3_1 C4_1 H4_1 120.0 . . ?
C5_1 C4_1 H4_1 120.0 . . ?
C6_1 C5_1 C4_1 120.0 . . ?
C6_1 C5_1 H5_1 120.0 . . ?
C4_1 C5_1 H5_1 120.0 . . ?
C5_1 C6_1 C1_1 120.0 . . ?
C5_1 C6_1 C12_1 130.4 . . ?
C1_1 C6_1 C12_1 109.6 . . ?
C7_1 N1_1 C11_1 120.0 . . ?
C7_1 N1_1 Pt1_1 117.7 . . ?
C11_1 N1_1 Pt1_1 122.3 . . ?
N1_1 C7_1 C8_1 120.0 . . ?
N1_1 C7_1 C2_1 104.6 . . ?
C8_1 C7_1 C2_1 135.4 . . ?
F1_1 C8_1 C9_1 124.1 . . ?
F1_1 C8_1 C7_1 115.9 . . ?
C9_1 C8_1 C7_1 120.0 . . ?
C8_1 C9_1 C10_1 120.0 . . ?
C8_1 C9_1 H9_1 120.0 . . ?
C10_1 C9_1 H9_1 120.0 . . ?
C11_1 C10_1 C9_1 120.0 . . ?
C11_1 C10_1 H10_1 120.0 . . ?
C9_1 C10_1 H10_1 120.0 . . ?
C10_1 C11_1 N1_1 120.0 . . ?
C10_1 C11_1 H11_1 120.0 . . ?
N1_1 C11_1 H11_1 120.0 . . ?
C12_1 N2_1 C16_1 120.0 . . ?
C12_1 N2_1 Pt1_1 114.3 . . ?
C16_1 N2_1 Pt1_1 125.4 . . ?
N2_1 C12_1 C13_1 120.0 . . ?
N2_1 C12_1 C6_1 114.0 . . ?
C13_1 C12_1 C6_1 126.0 . . ?
C14_1 C13_1 C12_1 120.0 . . ?
C14_1 C13_1 H13_1 120.0 . . ?
C12_1 C13_1 H13_1 120.0 . . ?
C13_1 C14_1 C15_1 120.0 . . ?
C13_1 C14_1 C17_1 123.1 . . ?
C15_1 C14_1 C17_1 116.5 . . ?
C16_1 C15_1 C14_1 120.0 . . ?
C16_1 C15_1 C20_1 122.0 . . ?
C14_1 C15_1 C20_1 117.9 . . ?
C15_1 C16_1 N2_1 120.0 . . ?
C15_1 C16_1 H16_1 120.0 . . ?
N2_1 C16_1 H16_1 120.0 . . ?
C1_1 Pt1_1 N2_1 78.9 . . ?
C1_1 Pt1_1 N1_1 81.2 . . ?
N2_1 Pt1_1 N1_1 160.1 . . ?
C1_1 Pt1_1 Cl1_1 175.2 . . ?
N2_1 Pt1_1 Cl1_1 98.7 . . ?
N1_1 Pt1_1 Cl1_1 101.1 . . ?
C14_1 C17_1 C18_1 115.3 . . ?
C14_1 C17_1 H17A_1 108.4 . . ?
C18_1 C17_1 H17A_1 108.4 . . ?
C14_1 C17_1 H17B_1 108.4 . . ?
C18_1 C17_1 H17B_1 108.4 . . ?
H17A_1 C17_1 H17B_1 107.5 . . ?
C17_1 C18_1 C19_1 111.4 . . ?
C17_1 C18_1 C21_1 106.7 . . ?
C19_1 C18_1 C21_1 79.0 . . ?
C17_1 C18_1 H18_1 117.8 . . ?
C19_1 C18_1 H18_1 117.8 . . ?
C21_1 C18_1 H18_1 117.8 . . ?
C22_1 C19_1 C18_1 115.3 . . ?
C22_1 C19_1 C20_1 123.3 . . ?
C18_1 C19_1 C20_1 91.6 . . ?
C22_1 C19_1 C23_1 103.9 . . ?
C18_1 C19_1 C23_1 111.1 . . ?
C20_1 C19_1 C23_1 111.5 . . ?
C22_1 C19_1 C21_1 110.2 . . ?
C18_1 C19_1 C21_1 50.5 . . ?
C20_1 C19_1 C21_1 50.7 . . ?
C23_1 C19_1 C21_1 145.7 . . ?
C15_1 C20_1 C19_1 113.5 . . ?
C15_1 C20_1 C21_1 109.0 . . ?
C19_1 C20_1 C21_1 78.8 . . ?
C15_1 C20_1 H20_1 116.6 . . ?
C19_1 C20_1 H20_1 116.6 . . ?
C21_1 C20_1 H20_1 116.6 . . ?
C18_1 C21_1 C20_1 91.5 . . ?
C18_1 C21_1 C19_1 50.5 . . ?
C20_1 C21_1 C19_1 50.5 . . ?
C18_1 C21_1 H21A_1 113.4 . . ?
C20_1 C21_1 H21A_1 113.4 . . ?
C19_1 C21_1 H21A_1 149.0 . . ?
C18_1 C21_1 H21B_1 113.4 . . ?
C20_1 C21_1 H21B_1 113.4 . . ?
C19_1 C21_1 H21B_1 100.3 . . ?
H21A_1 C21_1 H21B_1 110.7 . . ?
C19_1 C22_1 H22A_1 109.5 . . ?
C19_1 C22_1 H22B_1 109.5 . . ?
H22A_1 C22_1 H22B_1 109.5 . . ?
C19_1 C22_1 H22C_1 109.5 . . ?
H22A_1 C22_1 H22C_1 109.5 . . ?
H22B_1 C22_1 H22C_1 109.5 . . ?
C19_1 C23_1 H23A_1 109.5 . . ?
C19_1 C23_1 H23B_1 109.5 . . ?
H23A_1 C23_1 H23B_1 109.5 . . ?
C19_1 C23_1 H23C_1 109.5 . . ?
H23A_1 C23_1 H23C_1 109.5 . . ?
H23B_1 C23_1 H23C_1 109.5 . . ?
C2_2 C1_2 C6_2 120.0 . . ?
C2_2 C1_2 Pt1_2 118.5 . . ?
C6_2 C1_2 Pt1_2 121.4 . . ?
C1_2 C2_2 C3_2 120.0 . . ?
C1_2 C2_2 C12_2 111.4 . . ?
C3_2 C2_2 C12_2 128.6 . . ?
C2_2 C3_2 C4_2 120.0 . . ?
C2_2 C3_2 H3_2 120.0 . . ?
C4_2 C3_2 H3_2 120.0 . . ?
C5_2 C4_2 C3_2 120.0 . . ?
C5_2 C4_2 H4_2 120.0 . . ?
C3_2 C4_2 H4_2 120.0 . . ?
C4_2 C5_2 C6_2 120.0 . . ?
C4_2 C5_2 H5_2 120.0 . . ?
C6_2 C5_2 H5_2 120.0 . . ?
C5_2 C6_2 C1_2 120.0 . . ?
C5_2 C6_2 C7_2 134.7 . . ?
C1_2 C6_2 C7_2 105.2 . . ?
C7_2 N1_2 C11_2 120.0 . . ?
C7_2 N1_2 Pt1_2 114.3 . . ?
C11_2 N1_2 Pt1_2 125.7 . . ?
C8_2 C7_2 N1_2 120.0 . . ?
C8_2 C7_2 C6_2 121.4 . . ?
N1_2 C7_2 C6_2 118.5 . . ?
F1_2 C8_2 C7_2 124.1 . . ?
F1_2 C8_2 C9_2 115.9 . . ?
C7_2 C8_2 C9_2 120.0 . . ?
C10_2 C9_2 C8_2 120.0 . . ?
C10_2 C9_2 H9_2 120.0 . . ?
C8_2 C9_2 H9_2 120.0 . . ?
C11_2 C10_2 C9_2 120.0 . . ?
C11_2 C10_2 H10_2 120.0 . . ?
C9_2 C10_2 H10_2 120.0 . . ?
C10_2 C11_2 N1_2 120.0 . . ?
C10_2 C11_2 H11_2 120.0 . . ?
N1_2 C11_2 H11_2 120.0 . . ?
C12_2 N2_2 C16_2 120.0 . . ?
C12_2 N2_2 Pt1_2 114.4 . . ?
C16_2 N2_2 Pt1_2 125.6 . . ?
C13_2 C12_2 N2_2 120.0 . . ?
C13_2 C12_2 C2_2 125.1 . . ?
N2_2 C12_2 C2_2 114.9 . . ?
C14_2 C13_2 C12_2 120.0 . . ?
C14_2 C13_2 H13_2 120.0 . . ?
C12_2 C13_2 H13_2 120.0 . . ?
C15_2 C14_2 C13_2 120.0 . . ?
C15_2 C14_2 C17_2 116.5 . . ?
C13_2 C14_2 C17_2 122.9 . . ?
C16_2 C15_2 C14_2 120.0 . . ?
C16_2 C15_2 C20_2 124.4 . . ?
C14_2 C15_2 C20_2 115.6 . . ?
C15_2 C16_2 N2_2 120.0 . . ?
C15_2 C16_2 H16_2 120.0 . . ?
N2_2 C16_2 H16_2 120.0 . . ?
N1_2 Pt1_2 C1_2 80.5 . . ?
N1_2 Pt1_2 N2_2 160.8 . . ?
C1_2 Pt1_2 N2_2 80.6 . . ?
N1_2 Pt1_2 Cl1_2 100.2 . . ?
C1_2 Pt1_2 Cl1_2 179.3 . . ?
N2_2 Pt1_2 Cl1_2 98.7 . . ?
C14_2 C17_2 C18_2 107.7 . . ?
C14_2 C17_2 H17A_2 110.2 . . ?
C18_2 C17_2 H17A_2 110.2 . . ?
C14_2 C17_2 H17B_2 110.2 . . ?
C18_2 C17_2 H17B_2 110.2 . . ?
H17A_2 C17_2 H17B_2 108.5 . . ?
C21_2 C18_2 C17_2 111.6 . . ?
C21_2 C18_2 C19_2 98.2 . . ?
C17_2 C18_2 C19_2 105.5 . . ?
C21_2 C18_2 C20_2 51.4 . . ?
C17_2 C18_2 C20_2 102.1 . . ?
C19_2 C18_2 C20_2 51.0 . . ?
C21_2 C18_2 H18_2 113.5 . . ?
C17_2 C18_2 H18_2 113.5 . . ?
C19_2 C18_2 H18_2 113.5 . . ?
C20_2 C18_2 H18_2 144.3 . . ?
C20_2 C19_2 C18_2 76.3 . . ?
C20_2 C19_2 H19A_2 115.8 . . ?
C18_2 C19_2 H19A_2 115.8 . . ?
C20_2 C19_2 H19B_2 115.8 . . ?
C18_2 C19_2 H19B_2 115.8 . . ?
H19A_2 C19_2 H19B_2 112.8 . . ?
C15_2 C20_2 C19_2 101.5 . . ?
C15_2 C20_2 C21_2 109.7 . . ?
C19_2 C20_2 C21_2 99.5 . . ?
C15_2 C20_2 C18_2 97.4 . . ?
C19_2 C20_2 C18_2 52.7 . . ?
C21_2 C20_2 C18_2 51.1 . . ?
C15_2 C20_2 H20_2 114.8 . . ?
C19_2 C20_2 H20_2 114.8 . . ?
C21_2 C20_2 H20_2 114.8 . . ?
C18_2 C20_2 H20_2 147.8 . . ?
C18_2 C21_2 C23_2 116.2 . . ?
C18_2 C21_2 C22_2 121.3 . . ?
C23_2 C21_2 C22_2 110.3 . . ?
C18_2 C21_2 C20_2 77.5 . . ?
C23_2 C21_2 C20_2 109.2 . . ?
C22_2 C21_2 C20_2 118.3 . . ?
C21_2 C22_2 H22A_2 109.5 . . ?
C21_2 C22_2 H22B_2 109.5 . . ?
H22A_2 C22_2 H22B_2 109.5 . . ?
C21_2 C22_2 H22C_2 109.5 . . ?
H22A_2 C22_2 H22C_2 109.5 . . ?
H22B_2 C22_2 H22C_2 109.5 . . ?
C21_2 C23_2 H23A_2 109.5 . . ?
C21_2 C23_2 H23B_2 109.5 . . ?
H23A_2 C23_2 H23B_2 109.5 . . ?
C21_2 C23_2 H23C_2 109.5 . . ?
H23A_2 C23_2 H23C_2 109.5 . . ?
H23B_2 C23_2 H23C_2 109.5 . . ?
Cl2_3 C1_3 Cl1_3 109.5 . . ?
Cl2_3 C1_3 H1A_3 109.8 . . ?
Cl1_3 C1_3 H1A_3 109.8 . . ?
Cl2_3 C1_3 H1B_3 109.8 . . ?
Cl1_3 C1_3 H1B_3 109.8 . . ?
H1A_3 C1_3 H1B_3 108.2 . . ?
Cl4_3 C2_3 Cl3_3 113.1 . . ?
Cl4_3 C2_3 H2A_3 109.0 . . ?
Cl3_3 C2_3 H2A_3 109.0 . . ?
Cl4_3 C2_3 H2B_3 109.0 . . ?
Cl3_3 C2_3 H2B_3 109.0 . . ?
H2A_3 C2_3 H2B_3 107.8 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6_1 C1_1 C2_1 C3_1 0.0 . . . . ?
Pt1_1 C1_1 C2_1 C3_1 178.1 . . . . ?
C6_1 C1_1 C2_1 C7_1 -175.1 . . . . ?
Pt1_1 C1_1 C2_1 C7_1 3.0 . . . . ?
C1_1 C2_1 C3_1 C4_1 0.0 . . . . ?
C7_1 C2_1 C3_1 C4_1 175.1 . . . . ?
C2_1 C3_1 C4_1 C5_1 0.0 . . . . ?
C3_1 C4_1 C5_1 C6_1 0.0 . . . . ?
C4_1 C5_1 C6_1 C1_1 0.0 . . . . ?
C4_1 C5_1 C6_1 C12_1 -177.9 . . . . ?
C2_1 C1_1 C6_1 C5_1 0.0 . . . . ?
Pt1_1 C1_1 C6_1 C5_1 -178.0 . . . . ?
C2_1 C1_1 C6_1 C12_1 178.3 . . . . ?
Pt1_1 C1_1 C6_1 C12_1 0.3 . . . . ?
C11_1 N1_1 C7_1 C8_1 0.0 . . . . ?
Pt1_1 N1_1 C7_1 C8_1 -178.5 . . . . ?
C11_1 N1_1 C7_1 C2_1 -179.4 . . . . ?
Pt1_1 N1_1 C7_1 C2_1 2.0 . . . . ?
C3_1 C2_1 C7_1 N1_1 -178.3 . . . . ?
C1_1 C2_1 C7_1 N1_1 -3.1 . . . . ?
C3_1 C2_1 C7_1 C8_1 2.5 . . . . ?
C1_1 C2_1 C7_1 C8_1 177.6 . . . . ?
N1_1 C7_1 C8_1 F1_1 -179.0 . . . . ?
C2_1 C7_1 C8_1 F1_1 0.2 . . . . ?
N1_1 C7_1 C8_1 C9_1 0.0 . . . . ?
C2_1 C7_1 C8_1 C9_1 179.2 . . . . ?
F1_1 C8_1 C9_1 C10_1 178.9 . . . . ?
C7_1 C8_1 C9_1 C10_1 0.0 . . . . ?
C8_1 C9_1 C10_1 C11_1 0.0 . . . . ?
C9_1 C10_1 C11_1 N1_1 0.0 . . . . ?
C7_1 N1_1 C11_1 C10_1 0.0 . . . . ?
Pt1_1 N1_1 C11_1 C10_1 178.5 . . . . ?
C16_1 N2_1 C12_1 C13_1 0.0 . . . . ?
Pt1_1 N2_1 C12_1 C13_1 173.7 . . . . ?
C16_1 N2_1 C12_1 C6_1 -177.5 . . . . ?
Pt1_1 N2_1 C12_1 C6_1 -3.8 . . . . ?
C5_1 C6_1 C12_1 N2_1 -179.6 . . . . ?
C1_1 C6_1 C12_1 N2_1 2.3 . . . . ?
C5_1 C6_1 C12_1 C13_1 3.1 . . . . ?
C1_1 C6_1 C12_1 C13_1 -175.0 . . . . ?
N2_1 C12_1 C13_1 C14_1 0.0 . . . . ?
C6_1 C12_1 C13_1 C14_1 177.1 . . . . ?
C12_1 C13_1 C14_1 C15_1 0.0 . . . . ?
C12_1 C13_1 C14_1 C17_1 172.3 . . . . ?
C13_1 C14_1 C15_1 C16_1 0.0 . . . . ?
C17_1 C14_1 C15_1 C16_1 -172.8 . . . . ?
C13_1 C14_1 C15_1 C20_1 -176.5 . . . . ?
C17_1 C14_1 C15_1 C20_1 10.7 . . . . ?
C14_1 C15_1 C16_1 N2_1 0.0 . . . . ?
C20_1 C15_1 C16_1 N2_1 176.4 . . . . ?
C12_1 N2_1 C16_1 C15_1 0.0 . . . . ?
Pt1_1 N2_1 C16_1 C15_1 -172.9 . . . . ?
C2_1 C1_1 Pt1_1 N2_1 -179.9 . . . . ?
C6_1 C1_1 Pt1_1 N2_1 -1.8 . . . . ?
C2_1 C1_1 Pt1_1 N1_1 -1.2 . . . . ?
C6_1 C1_1 Pt1_1 N1_1 176.8 . . . . ?
C13_1 C14_1 C17_1 C18_1 177.1 . . . . ?
C15_1 C14_1 C17_1 C18_1 -10.3 . . . . ?
C14_1 C17_1 C18_1 C19_1 46.6 . . . . ?
C14_1 C17_1 C18_1 C21_1 -37.8 . . . . ?
C17_1 C18_1 C19_1 C22_1 160.1 . . . . ?
C21_1 C18_1 C19_1 C22_1 -96.1 . . . . ?
C17_1 C18_1 C19_1 C20_1 -71.5 . . . . ?
C21_1 C18_1 C19_1 C20_1 32.3 . . . . ?
C17_1 C18_1 C19_1 C23_1 42.3 . . . . ?
C21_1 C18_1 C19_1 C23_1 146.1 . . . . ?
C17_1 C18_1 C19_1 C21_1 -103.8 . . . . ?
C16_1 C15_1 C20_1 C19_1 135.4 . . . . ?
C14_1 C15_1 C20_1 C19_1 -48.2 . . . . ?
C16_1 C15_1 C20_1 C21_1 -138.8 . . . . ?
C14_1 C15_1 C20_1 C21_1 37.6 . . . . ?
C22_1 C19_1 C20_1 C15_1 -164.2 . . . . ?
C18_1 C19_1 C20_1 C15_1 73.8 . . . . ?
C23_1 C19_1 C20_1 C15_1 -39.7 . . . . ?
C21_1 C19_1 C20_1 C15_1 106.0 . . . . ?
C22_1 C19_1 C20_1 C21_1 89.8 . . . . ?
C18_1 C19_1 C20_1 C21_1 -32.2 . . . . ?
C23_1 C19_1 C20_1 C21_1 -145.7 . . . . ?
C17_1 C18_1 C21_1 C20_1 77.0 . . . . ?
C19_1 C18_1 C21_1 C20_1 -32.2 . . . . ?
C17_1 C18_1 C21_1 C19_1 109.2 . . . . ?
C15_1 C20_1 C21_1 C18_1 -79.0 . . . . ?
C19_1 C20_1 C21_1 C18_1 32.2 . . . . ?
C15_1 C20_1 C21_1 C19_1 -111.2 . . . . ?
C6_2 C1_2 C2_2 C3_2 0.0 . . . . ?
Pt1_2 C1_2 C2_2 C3_2 -176.1 . . . . ?
C6_2 C1_2 C2_2 C12_2 -179.2 . . . . ?
Pt1_2 C1_2 C2_2 C12_2 4.8 . . . . ?
C1_2 C2_2 C3_2 C4_2 0.0 . . . . ?
C12_2 C2_2 C3_2 C4_2 179.0 . . . . ?
C2_2 C3_2 C4_2 C5_2 0.0 . . . . ?
C3_2 C4_2 C5_2 C6_2 0.0 . . . . ?
C4_2 C5_2 C6_2 C1_2 0.0 . . . . ?
C4_2 C5_2 C6_2 C7_2 177.0 . . . . ?
C2_2 C1_2 C6_2 C5_2 0.0 . . . . ?
Pt1_2 C1_2 C6_2 C5_2 175.9 . . . . ?
C2_2 C1_2 C6_2 C7_2 -177.8 . . . . ?
Pt1_2 C1_2 C6_2 C7_2 -1.9 . . . . ?
C11_2 N1_2 C7_2 C8_2 0.0 . . . . ?
Pt1_2 N1_2 C7_2 C8_2 -179.8 . . . . ?
C11_2 N1_2 C7_2 C6_2 -176.2 . . . . ?
Pt1_2 N1_2 C7_2 C6_2 4.1 . . . . ?
C5_2 C6_2 C7_2 C8_2 5.1 . . . . ?
C1_2 C6_2 C7_2 C8_2 -177.6 . . . . ?
C5_2 C6_2 C7_2 N1_2 -178.8 . . . . ?
C1_2 C6_2 C7_2 N1_2 -1.5 . . . . ?
N1_2 C7_2 C8_2 F1_2 178.1 . . . . ?
C6_2 C7_2 C8_2 F1_2 -5.9 . . . . ?
N1_2 C7_2 C8_2 C9_2 0.0 . . . . ?
C6_2 C7_2 C8_2 C9_2 176.0 . . . . ?
F1_2 C8_2 C9_2 C10_2 -178.2 . . . . ?
C7_2 C8_2 C9_2 C10_2 0.0 . . . . ?
C8_2 C9_2 C10_2 C11_2 0.0 . . . . ?
C9_2 C10_2 C11_2 N1_2 0.0 . . . . ?
C7_2 N1_2 C11_2 C10_2 0.0 . . . . ?
Pt1_2 N1_2 C11_2 C10_2 179.7 . . . . ?
C16_2 N2_2 C12_2 C13_2 0.0 . . . . ?
Pt1_2 N2_2 C12_2 C13_2 -177.7 . . . . ?
C16_2 N2_2 C12_2 C2_2 177.4 . . . . ?
Pt1_2 N2_2 C12_2 C2_2 -0.2 . . . . ?
C1_2 C2_2 C12_2 C13_2 174.5 . . . . ?
C3_2 C2_2 C12_2 C13_2 -4.6 . . . . ?
C1_2 C2_2 C12_2 N2_2 -2.8 . . . . ?
C3_2 C2_2 C12_2 N2_2 178.1 . . . . ?
N2_2 C12_2 C13_2 C14_2 0.0 . . . . ?
C2_2 C12_2 C13_2 C14_2 -177.1 . . . . ?
C12_2 C13_2 C14_2 C15_2 0.0 . . . . ?
C12_2 C13_2 C14_2 C17_2 170.2 . . . . ?
C13_2 C14_2 C15_2 C16_2 0.0 . . . . ?
C17_2 C14_2 C15_2 C16_2 -170.8 . . . . ?
C13_2 C14_2 C15_2 C20_2 179.7 . . . . ?
C17_2 C14_2 C15_2 C20_2 8.9 . . . . ?
C14_2 C15_2 C16_2 N2_2 0.0 . . . . ?
C20_2 C15_2 C16_2 N2_2 -179.7 . . . . ?
C12_2 N2_2 C16_2 C15_2 0.0 . . . . ?
Pt1_2 N2_2 C16_2 C15_2 177.4 . . . . ?
C15_2 C14_2 C17_2 C18_2 -9.4 . . . . ?
C13_2 C14_2 C17_2 C18_2 -179.9 . . . . ?
C14_2 C17_2 C18_2 C21_2 58.8 . . . . ?
C14_2 C17_2 C18_2 C19_2 -46.8 . . . . ?
C14_2 C17_2 C18_2 C20_2 5.7 . . . . ?
C21_2 C18_2 C19_2 C20_2 -21.9 . . . . ?
C17_2 C18_2 C19_2 C20_2 93.3 . . . . ?
C16_2 C15_2 C20_2 C19_2 -131.1 . . . . ?
C14_2 C15_2 C20_2 C19_2 49.3 . . . . ?
C16_2 C15_2 C20_2 C21_2 124.4 . . . . ?
C14_2 C15_2 C20_2 C21_2 -55.3 . . . . ?
C16_2 C15_2 C20_2 C18_2 175.7 . . . . ?
C14_2 C15_2 C20_2 C18_2 -4.0 . . . . ?
C18_2 C19_2 C20_2 C15_2 -90.6 . . . . ?
C18_2 C19_2 C20_2 C21_2 21.9 . . . . ?
C17_2 C18_2 C21_2 C23_2 166.0 . . . . ?
C19_2 C18_2 C21_2 C23_2 -83.7 . . . . ?
C20_2 C18_2 C21_2 C23_2 -105.5 . . . . ?
C17_2 C18_2 C21_2 C22_2 27.2 . . . . ?
C19_2 C18_2 C21_2 C22_2 137.5 . . . . ?
C20_2 C18_2 C21_2 C22_2 115.7 . . . . ?
C17_2 C18_2 C21_2 C20_2 -88.5 . . . . ?
C19_2 C18_2 C21_2 C20_2 21.8 . . . . ?
C15_2 C20_2 C21_2 C18_2 83.5 . . . . ?
C19_2 C20_2 C21_2 C18_2 -22.4 . . . . ?
C15_2 C20_2 C21_2 C23_2 -162.8 . . . . ?
C19_2 C20_2 C21_2 C23_2 91.3 . . . . ?
C18_2 C20_2 C21_2 C23_2 113.7 . . . . ?
C15_2 C20_2 C21_2 C22_2 -35.5 . . . . ?
C19_2 C20_2 C21_2 C22_2 -141.4 . . . . ?
C18_2 C20_2 C21_2 C22_2 -119.0 . . . . ?

_audit_creation_date             2019-03-20
_cell_oxdiff_length_a            7.1424(5)
_cell_oxdiff_length_b            9.1357(9)
_cell_oxdiff_length_c            18.4824(14)
_cell_oxdiff_angle_alpha         96.097(8)
_cell_oxdiff_angle_beta          100.086(6)
_cell_oxdiff_angle_gamma         92.237(7)
_cell_oxdiff_volume              1178.59(17)
_cell_oxdiff_measurement_reflns_used 3163
_oxdiff_exptl_absorpt_empirical_full_min 0.593
_oxdiff_exptl_absorpt_empirical_full_max 6.183
_oxdiff_exptl_absorpt_empirical_details 
;

Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0431726000
_diffrn_orient_matrix_UB_12      -0.0562264000
_diffrn_orient_matrix_UB_13      -0.0280689000
_diffrn_orient_matrix_UB_21      -0.0306973000
_diffrn_orient_matrix_UB_22      0.0542506000
_diffrn_orient_matrix_UB_23      -0.0234843000
_diffrn_orient_matrix_UB_31      0.0860419000
_diffrn_orient_matrix_UB_32      -0.0034471000
_diffrn_orient_matrix_UB_33      -0.0141469000
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_theta     26.32
_reflns_odcompleteness_iscentric 1
_chemical_oxdiff_formula         'Pt1 C1 H1 N1'
####################################################################### 
# 
# 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_znz9005_0m_5
_database_code_depnum_ccdc_archive 'CCDC 2066699'
loop_
_audit_author_name
_audit_author_address
'X.-P. Zhang'
;Hainan Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;
_audit_creation_date             2021-05-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H20 Cl F N2 Pt'
_chemical_formula_sum            'C23 H20 Cl F N2 Pt'
_chemical_formula_weight         573.95
_chemical_absolute_configuration ad
_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 0.0137 0.0067 '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 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -5.3886 5.5592 '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           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   7.1917(7)
_cell_length_b                   18.1841(17)
_cell_length_c                   14.8761(14)
_cell_angle_alpha                90
_cell_angle_beta                 99.525(5)
_cell_angle_gamma                90
_cell_volume                     1918.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9945
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      56.79
_cell_measurement_theta_min      3.37
_shelx_estimated_absorpt_T_max   0.424
_shelx_estimated_absorpt_T_min   0.424
_exptl_absorpt_coefficient_mu    10.368
_exptl_absorpt_correction_T_max  0.3356
_exptl_absorpt_correction_T_min  0.1922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1616 before and 0.1306 after correction.
The Ratio of minimum to maximum transmission is 0.5727.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0655
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3962
_diffrn_reflns_point_group_measured_fraction_full 0.504
_diffrn_reflns_point_group_measured_fraction_max 0.495
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         57.299
_diffrn_reflns_theta_min         3.367
_diffrn_ambient_temperature      193.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'BRUKER D8 VENTURE PHOTON II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    0.000
_reflns_Friedel_fraction_max     0.000
_reflns_number_gt                3454
_reflns_number_total             3962
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT (Bruker AXS, 2015)'
_computing_data_collection       'APEX3 (Bruker AXS, 2015)'
_computing_data_reduction        'SAINT (Bruker AXS, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.508
_refine_diff_density_min         -1.595
_refine_diff_density_rms         0.227
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.11(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         3962
_refine_ls_number_restraints     553
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0697
_refine_ls_restrained_S_all      1.018
_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)+(0.1117P)²+10.7630P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1833
_refine_ls_wR_factor_ref         0.1927
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.592(3)
 0.408(3)
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. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
5.a Ternary CH refined with riding coordinates:
 C17(H17), C19(H19), C24(H24), C22(H22)
5.b Secondary CH2 refined with riding coordinates:
 C18(H18A,H18B), C23(H23A,H23B), C11(H11A,H11B), C12(H12A,H12B)
5.c Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C9(H9), C10(H10), C13(H13), C16(H16), C2(H2), C3(H3),
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10)
5.d Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C2(H2A,H2B,H2C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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_1 Pt 0.6747(2) 0.45593(7) 0.44030(9) 0.0578(4) Uani 1 1 d . U . . .
C1_1 C 0.770(5) 0.3428(18) 0.591(3) 0.062(6) Uani 1 1 d . U . . .
H1_1 H 0.800934 0.311512 0.543977 0.074 Uiso 1 1 calc R U . . .
F1_1 F 0.572(5) 0.5938(14) 0.7401(15) 0.092(8) Uani 1 1 d . U . . .
N2_1 N 0.619(4) 0.5300(15) 0.3357(17) 0.057(5) Uani 1 1 d . U . . .
C3_1 C 0.747(6) 0.362(2) 0.743(3) 0.072(8) Uani 1 1 d . U . . .
H3_1 H 0.755775 0.343362 0.802946 0.086 Uiso 1 1 calc R U . . .
C4_1 C 0.699(6) 0.433(2) 0.725(3) 0.072(7) Uani 1 1 d . U . . .
H4_1 H 0.685468 0.465640 0.774025 0.086 Uiso 1 1 calc R U . . .
C5_1 C 0.670(5) 0.458(2) 0.638(2) 0.064(5) Uani 1 1 d . U . . .
C6_1 C 0.621(5) 0.530(2) 0.604(2) 0.061(5) Uani 1 1 d . U . . .
C7_1 C 0.609(5) 0.542(3) 0.514(2) 0.064(6) Uani 1 1 d . U . . .
C8_1 C 0.545(6) 0.6094(19) 0.461(2) 0.065(6) Uani 1 1 d . U . . .
C9_1 C 0.496(6) 0.666(2) 0.509(2) 0.066(6) Uani 1 1 d . U . . .
H9_1 H 0.453687 0.710315 0.479255 0.079 Uiso 1 1 calc R U . . .
C10_1 C 0.508(6) 0.6595(19) 0.603(3) 0.070(7) Uani 1 1 d . U . . .
H10_1 H 0.472284 0.700235 0.635978 0.084 Uiso 1 1 calc R U . . .
C11_1 C 0.571(7) 0.594(2) 0.650(3) 0.076(7) Uani 1 1 d . U . . .
C12_1 C 0.562(6) 0.5994(19) 0.363(2) 0.064(6) Uani 1 1 d . U . . .
C13_1 C 0.502(7) 0.653(2) 0.296(2) 0.074(8) Uani 1 1 d . U . . .
H13_1 H 0.447894 0.697169 0.313687 0.089 Uiso 1 1 calc R U . . .
C14_1 C 0.518(6) 0.642(2) 0.205(2) 0.070(7) Uani 1 1 d . U . . .
C15_1 C 0.604(6) 0.5734(19) 0.186(2) 0.061(6) Uani 1 1 d . U . . .
C16_1 C 0.646(5) 0.5193(18) 0.252(2) 0.057(6) Uani 1 1 d . U . . .
H16_1 H 0.694733 0.473561 0.236107 0.068 Uiso 1 1 calc R U . . .
C17_1 C 0.633(6) 0.567(2) 0.088(2) 0.069(6) Uani 1 1 d . U . . .
H17_1 H 0.684913 0.518939 0.070737 0.082 Uiso 1 1 calc R U . . .
C18_1 C 0.459(7) 0.592(3) 0.027(3) 0.082(8) Uani 1 1 d . U . . .
H18A_1 H 0.340915 0.582452 0.051245 0.099 Uiso 1 1 calc R U . . .
H18B_1 H 0.448096 0.574542 -0.036905 0.099 Uiso 1 1 calc R U . . .
C19_1 C 0.531(6) 0.670(2) 0.041(2) 0.075(6) Uani 1 1 d . U . . .
H19_1 H 0.501056 0.704362 -0.011753 0.091 Uiso 1 1 calc R U . . .
C20_1 C 0.731(6) 0.636(2) 0.057(2) 0.070(6) Uani 1 1 d . U . . .
C21_1 C 0.888(6) 0.671(2) 0.119(3) 0.082(10) Uani 1 1 d . U . . .
H21A_1 H 0.849740 0.679974 0.178087 0.123 Uiso 1 1 calc R U . . .
H21B_1 H 0.919821 0.718086 0.092665 0.123 Uiso 1 1 calc R U . . .
H21C_1 H 0.998061 0.638684 0.126511 0.123 Uiso 1 1 calc R U . . .
C22_1 C 0.800(7) 0.619(3) -0.037(2) 0.086(11) Uani 1 1 d . U . . .
H22A_1 H 0.800733 0.665116 -0.072317 0.129 Uiso 1 1 calc R U . . .
H22B_1 H 0.714733 0.583935 -0.072530 0.129 Uiso 1 1 calc R U . . .
H22C_1 H 0.927941 0.598930 -0.025410 0.129 Uiso 1 1 calc R U . . .
C23_1 C 0.488(7) 0.700(2) 0.136(3) 0.078(7) Uani 1 1 d . U . . .
H23A_1 H 0.570555 0.742086 0.155633 0.094 Uiso 1 1 calc R U . . .
H23B_1 H 0.355310 0.716721 0.127919 0.094 Uiso 1 1 calc R U . . .
C2_1 C 0.785(6) 0.316(2) 0.673(2) 0.072(7) Uani 1 1 d . U . . .
H2_1 H 0.820430 0.266302 0.685419 0.086 Uiso 1 1 calc R U . . .
N1_1 N 0.713(4) 0.4141(17) 0.567(2) 0.065(5) Uani 1 1 d . U . . .
Cl1_1 Cl 0.7342(14) 0.3490(5) 0.3538(6) 0.0644(18) Uani 1 1 d . U . . .
Cl1_2 Cl 0.0166(15) 0.6467(5) 0.3814(6) 0.067(2) Uani 1 1 d . U . . .
Pt1_2 Pt 0.0953(2) 0.53763(7) 0.47506(9) 0.0570(4) Uani 1 1 d . U . . .
N1_2 N 0.078(4) 0.5848(16) 0.5996(18) 0.057(5) Uani 1 1 d . U . . .
C2_2 C -0.030(8) 0.390(3) -0.031(2) 0.095(12) Uani 1 1 d . U . . .
H2A_2 H -0.145641 0.419069 -0.040935 0.143 Uiso 1 1 calc R U . . .
H2B_2 H -0.053991 0.341984 -0.061615 0.143 Uiso 1 1 calc R U . . .
H2C_2 H 0.069062 0.415647 -0.056573 0.143 Uiso 1 1 calc R U . . .
N2_2 N 0.143(4) 0.4652(16) 0.3806(16) 0.054(4) Uani 1 1 d . U . . .
C3_2 C 0.054(5) 0.656(2) 0.618(3) 0.067(6) Uani 1 1 d . U . . .
H3_2 H 0.037504 0.691072 0.569131 0.080 Uiso 1 1 calc R U . . .
C4_2 C 0.052(6) 0.6805(19) 0.706(3) 0.069(7) Uani 1 1 d . U . . .
H4_2 H 0.020808 0.730022 0.716994 0.082 Uiso 1 1 calc R U . . .
C5_2 C 0.094(6) 0.634(2) 0.774(3) 0.069(7) Uani 1 1 d . U . . .
H5_2 H 0.104397 0.651227 0.834791 0.083 Uiso 1 1 calc R U . . .
C6_2 C 0.124(6) 0.560(2) 0.758(2) 0.065(7) Uani 1 1 d . U . . .
H6_2 H 0.148749 0.526244 0.807760 0.078 Uiso 1 1 calc R U . . .
C7_2 C 0.121(5) 0.4812(19) 0.287(2) 0.061(6) Uani 1 1 d . U . . .
H7_2 H 0.069317 0.527106 0.265022 0.074 Uiso 1 1 calc R U . . .
C8_2 C 0.248(6) 0.3469(19) 0.350(2) 0.064(6) Uani 1 1 d . U . . .
H8_2 H 0.306595 0.302761 0.374299 0.077 Uiso 1 1 calc R U . . .
C9_2 C 0.245(5) 0.330(2) 0.655(2) 0.065(6) Uani 1 1 d . U . . .
H9_2 H 0.272315 0.287555 0.691613 0.078 Uiso 1 1 calc R U . . .
C10_2 C 0.242(4) 0.3265(19) 0.559(2) 0.062(6) Uani 1 1 d . U . . .
H10_2 H 0.258615 0.281029 0.530221 0.074 Uiso 1 1 calc R U . . .
C11_2 C 0.326(6) 0.415(3) 0.093(3) 0.080(7) Uani 1 1 d . U . . .
H11A_2 H 0.442065 0.418537 0.139253 0.096 Uiso 1 1 calc R U . . .
H11B_2 H 0.345532 0.434189 0.033413 0.096 Uiso 1 1 calc R U . . .
C12_2 C 0.272(6) 0.307(2) 0.191(2) 0.072(7) Uani 1 1 d . U . . .
H12A_2 H 0.202733 0.260570 0.195870 0.086 Uiso 1 1 calc R U . . .
H12B_2 H 0.408821 0.295749 0.206200 0.086 Uiso 1 1 calc R U . . .
C13_2 C 0.209(4) 0.394(2) 0.693(2) 0.060(6) Uani 1 1 d . U . . .
C14_2 C 0.158(4) 0.456(2) 0.5459(19) 0.052(4) Uani 1 1 d . U . . .
C15_2 C 0.190(4) 0.3967(16) 0.407(2) 0.051(4) Uani 1 1 d . U . . .
C16_2 C 0.212(4) 0.3914(16) 0.510(2) 0.051(4) Uani 1 1 d . U . . .
C17_2 C 0.224(5) 0.3587(18) 0.259(2) 0.060(5) Uani 1 1 d . U . . .
C18_2 C 0.117(6) 0.534(3) 0.669(2) 0.070(6) Uani 1 1 d . U . . .
C19_2 C 0.155(5) 0.457(3) 0.641(2) 0.067(6) Uani 1 1 d . U . . .
C20_2 C 0.172(5) 0.4321(17) 0.230(2) 0.059(5) Uani 1 1 d . U . . .
C24_2 C 0.227(6) 0.336(3) 0.089(3) 0.080(7) Uani 1 1 d . U . . .
H24_2 H 0.253971 0.301907 0.040200 0.096 Uiso 1 1 calc R U . . .
C22_2 C 0.145(5) 0.443(2) 0.126(2) 0.070(6) Uani 1 1 d . U . . .
H22_2 H 0.104110 0.493699 0.104545 0.084 Uiso 1 1 calc R U . . .
C23_2 C 0.034(7) 0.378(2) 0.070(2) 0.077(6) Uani 1 1 d . U . . .
C1_2 C -0.130(5) 0.338(2) 0.111(2) 0.073(8) Uani 1 1 d . U . . .
H1A_2 H -0.090067 0.330808 0.177071 0.109 Uiso 1 1 calc R U . . .
H1B_2 H -0.157776 0.290661 0.081529 0.109 Uiso 1 1 calc R U . . .
H1C_2 H -0.243225 0.369165 0.101240 0.109 Uiso 1 1 calc R U . . .
F1_2 F 0.226(3) 0.4000(12) 0.7869(13) 0.074(5) Uani 1 1 d . 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_1 N2_1 2.05(3) . ?
Pt1_1 C7_1 2.01(4) . ?
Pt1_1 N1_1 2.01(3) . ?
Pt1_1 Cl1_1 2.408(8) . ?
C1_1 H1_1 0.9500 . ?
C1_1 C2_1 1.31(5) . ?
C1_1 N1_1 1.39(5) . ?
F1_1 C11_1 1.34(4) . ?
N2_1 C12_1 1.41(4) . ?
N2_1 C16_1 1.30(4) . ?
C3_1 H3_1 0.9500 . ?
C3_1 C4_1 1.35(5) . ?
C3_1 C2_1 1.39(5) . ?
C4_1 H4_1 0.9500 . ?
C4_1 C5_1 1.35(5) . ?
C5_1 C6_1 1.44(6) . ?
C5_1 N1_1 1.40(5) . ?
C6_1 C7_1 1.35(5) . ?
C6_1 C11_1 1.42(5) . ?
C7_1 C8_1 1.48(6) . ?
C8_1 C9_1 1.33(5) . ?
C8_1 C12_1 1.49(4) . ?
C9_1 H9_1 0.9500 . ?
C9_1 C10_1 1.39(5) . ?
C10_1 H10_1 0.9500 . ?
C10_1 C11_1 1.43(6) . ?
C12_1 C13_1 1.41(5) . ?
C13_1 H13_1 0.9500 . ?
C13_1 C14_1 1.40(5) . ?
C14_1 C15_1 1.45(5) . ?
C14_1 C23_1 1.45(5) . ?
C15_1 C16_1 1.39(5) . ?
C15_1 C17_1 1.51(4) . ?
C16_1 H16_1 0.9500 . ?
C17_1 H17_1 1.0000 . ?
C17_1 C18_1 1.49(6) . ?
C17_1 C20_1 1.55(5) . ?
C18_1 H18A_1 0.9900 . ?
C18_1 H18B_1 0.9900 . ?
C18_1 C19_1 1.52(6) . ?
C19_1 H19_1 1.0000 . ?
C19_1 C20_1 1.54(6) . ?
C19_1 C23_1 1.58(5) . ?
C20_1 C21_1 1.48(6) . ?
C20_1 C22_1 1.59(5) . ?
C21_1 H21A_1 0.9800 . ?
C21_1 H21B_1 0.9800 . ?
C21_1 H21C_1 0.9800 . ?
C22_1 H22A_1 0.9800 . ?
C22_1 H22B_1 0.9800 . ?
C22_1 H22C_1 0.9800 . ?
C23_1 H23A_1 0.9900 . ?
C23_1 H23B_1 0.9900 . ?
C2_1 H2_1 0.9500 . ?
Cl1_2 Pt1_2 2.435(9) . ?
Pt1_2 N1_2 2.06(3) . ?
Pt1_2 N2_2 2.00(3) . ?
Pt1_2 C14_2 1.83(4) . ?
N1_2 C3_2 1.35(5) . ?
N1_2 C18_2 1.38(5) . ?
C2_2 H2A_2 0.9800 . ?
C2_2 H2B_2 0.9800 . ?
C2_2 H2C_2 0.9800 . ?
C2_2 C23_2 1.52(5) . ?
N2_2 C7_2 1.40(4) . ?
N2_2 C15_2 1.33(4) . ?
C3_2 H3_2 0.9500 . ?
C3_2 C4_2 1.38(5) . ?
C4_2 H4_2 0.9500 . ?
C4_2 C5_2 1.32(5) . ?
C5_2 H5_2 0.9500 . ?
C5_2 C6_2 1.40(5) . ?
C6_2 H6_2 0.9500 . ?
C6_2 C18_2 1.39(5) . ?
C7_2 H7_2 0.9500 . ?
C7_2 C20_2 1.33(5) . ?
C8_2 H8_2 0.9500 . ?
C8_2 C15_2 1.35(5) . ?
C8_2 C17_2 1.35(5) . ?
C9_2 H9_2 0.9500 . ?
C9_2 C10_2 1.42(5) . ?
C9_2 C13_2 1.33(5) . ?
C10_2 H10_2 0.9500 . ?
C10_2 C16_2 1.39(5) . ?
C11_2 H11A_2 0.9900 . ?
C11_2 H11B_2 0.9900 . ?
C11_2 C24_2 1.59(7) . ?
C11_2 C22_2 1.55(5) . ?
C12_2 H12A_2 0.9900 . ?
C12_2 H12B_2 0.9900 . ?
C12_2 C17_2 1.46(5) . ?
C12_2 C24_2 1.60(5) . ?
C13_2 C19_2 1.40(6) . ?
C13_2 F1_2 1.39(4) . ?
C14_2 C16_2 1.38(5) . ?
C14_2 C19_2 1.41(4) . ?
C15_2 C16_2 1.51(4) . ?
C17_2 C20_2 1.43(5) . ?
C18_2 C19_2 1.51(6) . ?
C20_2 C22_2 1.53(4) . ?
C24_2 H24_2 1.0000 . ?
C24_2 C23_2 1.56(6) . ?
C22_2 H22_2 1.0000 . ?
C22_2 C23_2 1.59(5) . ?
C23_2 C1_2 1.58(6) . ?
C1_2 H1A_2 0.9800 . ?
C1_2 H1B_2 0.9800 . ?
C1_2 H1C_2 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
N2_1 Pt1_1 Cl1_1 98.9(8) . . ?
C7_1 Pt1_1 N2_1 82.2(13) . . ?
C7_1 Pt1_1 N1_1 78.2(14) . . ?
C7_1 Pt1_1 Cl1_1 176.3(10) . . ?
N1_1 Pt1_1 N2_1 160.3(11) . . ?
N1_1 Pt1_1 Cl1_1 100.8(9) . . ?
C2_1 C1_1 H1_1 118.1 . . ?
C2_1 C1_1 N1_1 124(4) . . ?
N1_1 C1_1 H1_1 118.1 . . ?
C12_1 N2_1 Pt1_1 113.6(19) . . ?
C16_1 N2_1 Pt1_1 126(2) . . ?
C16_1 N2_1 C12_1 120(3) . . ?
C4_1 C3_1 H3_1 119.7 . . ?
C4_1 C3_1 C2_1 121(4) . . ?
C2_1 C3_1 H3_1 119.7 . . ?
C3_1 C4_1 H4_1 120.3 . . ?
C5_1 C4_1 C3_1 119(4) . . ?
C5_1 C4_1 H4_1 120.3 . . ?
C4_1 C5_1 C6_1 129(4) . . ?
C4_1 C5_1 N1_1 121(4) . . ?
N1_1 C5_1 C6_1 109(3) . . ?
C7_1 C6_1 C5_1 118(4) . . ?
C7_1 C6_1 C11_1 112(4) . . ?
C11_1 C6_1 C5_1 130(3) . . ?
C6_1 C7_1 Pt1_1 116(4) . . ?
C6_1 C7_1 C8_1 129(4) . . ?
C8_1 C7_1 Pt1_1 116(2) . . ?
C7_1 C8_1 C12_1 111(3) . . ?
C9_1 C8_1 C7_1 115(3) . . ?
C9_1 C8_1 C12_1 134(3) . . ?
C8_1 C9_1 H9_1 119.9 . . ?
C8_1 C9_1 C10_1 120(4) . . ?
C10_1 C9_1 H9_1 119.9 . . ?
C9_1 C10_1 H10_1 119.1 . . ?
C9_1 C10_1 C11_1 122(3) . . ?
C11_1 C10_1 H10_1 119.1 . . ?
F1_1 C11_1 C6_1 122(4) . . ?
F1_1 C11_1 C10_1 116(3) . . ?
C6_1 C11_1 C10_1 122(3) . . ?
N2_1 C12_1 C8_1 118(3) . . ?
N2_1 C12_1 C13_1 119(3) . . ?
C13_1 C12_1 C8_1 123(3) . . ?
C12_1 C13_1 H13_1 119.1 . . ?
C14_1 C13_1 C12_1 122(3) . . ?
C14_1 C13_1 H13_1 119.1 . . ?
C13_1 C14_1 C15_1 114(3) . . ?
C13_1 C14_1 C23_1 124(3) . . ?
C15_1 C14_1 C23_1 120(3) . . ?
C14_1 C15_1 C17_1 113(3) . . ?
C16_1 C15_1 C14_1 122(3) . . ?
C16_1 C15_1 C17_1 126(3) . . ?
N2_1 C16_1 C15_1 122(3) . . ?
N2_1 C16_1 H16_1 119.2 . . ?
C15_1 C16_1 H16_1 119.2 . . ?
C15_1 C17_1 H17_1 115.3 . . ?
C15_1 C17_1 C20_1 111(3) . . ?
C18_1 C17_1 C15_1 109(4) . . ?
C18_1 C17_1 H17_1 115.3 . . ?
C18_1 C17_1 C20_1 87(3) . . ?
C20_1 C17_1 H17_1 115.3 . . ?
C17_1 C18_1 H18A_1 114.0 . . ?
C17_1 C18_1 H18B_1 114.0 . . ?
C17_1 C18_1 C19_1 88(3) . . ?
H18A_1 C18_1 H18B_1 111.2 . . ?
C19_1 C18_1 H18A_1 114.0 . . ?
C19_1 C18_1 H18B_1 114.0 . . ?
C18_1 C19_1 H19_1 116.2 . . ?
C18_1 C19_1 C20_1 86(3) . . ?
C18_1 C19_1 C23_1 109(3) . . ?
C20_1 C19_1 H19_1 116.2 . . ?
C20_1 C19_1 C23_1 109(3) . . ?
C23_1 C19_1 H19_1 116.2 . . ?
C17_1 C20_1 C22_1 109(3) . . ?
C19_1 C20_1 C17_1 85(3) . . ?
C19_1 C20_1 C22_1 111(3) . . ?
C21_1 C20_1 C17_1 120(3) . . ?
C21_1 C20_1 C19_1 121(3) . . ?
C21_1 C20_1 C22_1 108(4) . . ?
C20_1 C21_1 H21A_1 109.5 . . ?
C20_1 C21_1 H21B_1 109.5 . . ?
C20_1 C21_1 H21C_1 109.5 . . ?
H21A_1 C21_1 H21B_1 109.5 . . ?
H21A_1 C21_1 H21C_1 109.5 . . ?
H21B_1 C21_1 H21C_1 109.5 . . ?
C20_1 C22_1 H22A_1 109.5 . . ?
C20_1 C22_1 H22B_1 109.5 . . ?
C20_1 C22_1 H22C_1 109.5 . . ?
H22A_1 C22_1 H22B_1 109.5 . . ?
H22A_1 C22_1 H22C_1 109.5 . . ?
H22B_1 C22_1 H22C_1 109.5 . . ?
C14_1 C23_1 C19_1 111(3) . . ?
C14_1 C23_1 H23A_1 109.5 . . ?
C14_1 C23_1 H23B_1 109.5 . . ?
C19_1 C23_1 H23A_1 109.5 . . ?
C19_1 C23_1 H23B_1 109.5 . . ?
H23A_1 C23_1 H23B_1 108.1 . . ?
C1_1 C2_1 C3_1 119(4) . . ?
C1_1 C2_1 H2_1 120.6 . . ?
C3_1 C2_1 H2_1 120.6 . . ?
C1_1 N1_1 Pt1_1 125(3) . . ?
C1_1 N1_1 C5_1 116(3) . . ?
C5_1 N1_1 Pt1_1 119(3) . . ?
N1_2 Pt1_2 Cl1_2 97.6(9) . . ?
N2_2 Pt1_2 Cl1_2 100.7(8) . . ?
N2_2 Pt1_2 N1_2 161.5(11) . . ?
C14_2 Pt1_2 Cl1_2 179.1(10) . . ?
C14_2 Pt1_2 N1_2 82.1(13) . . ?
C14_2 Pt1_2 N2_2 79.5(12) . . ?
C3_2 N1_2 Pt1_2 128(2) . . ?
C3_2 N1_2 C18_2 121(3) . . ?
C18_2 N1_2 Pt1_2 111(2) . . ?
H2A_2 C2_2 H2B_2 109.5 . . ?
H2A_2 C2_2 H2C_2 109.5 . . ?
H2B_2 C2_2 H2C_2 109.5 . . ?
C23_2 C2_2 H2A_2 109.5 . . ?
C23_2 C2_2 H2B_2 109.5 . . ?
C23_2 C2_2 H2C_2 109.5 . . ?
C7_2 N2_2 Pt1_2 124(2) . . ?
C15_2 N2_2 Pt1_2 118(2) . . ?
C15_2 N2_2 C7_2 118(3) . . ?
N1_2 C3_2 H3_2 119.5 . . ?
N1_2 C3_2 C4_2 121(3) . . ?
C4_2 C3_2 H3_2 119.5 . . ?
C3_2 C4_2 H4_2 120.3 . . ?
C5_2 C4_2 C3_2 119(3) . . ?
C5_2 C4_2 H4_2 120.3 . . ?
C4_2 C5_2 H5_2 119.5 . . ?
C4_2 C5_2 C6_2 121(4) . . ?
C6_2 C5_2 H5_2 119.5 . . ?
C5_2 C6_2 H6_2 120.0 . . ?
C18_2 C6_2 C5_2 120(4) . . ?
C18_2 C6_2 H6_2 120.0 . . ?
N2_2 C7_2 H7_2 120.0 . . ?
C20_2 C7_2 N2_2 120(3) . . ?
C20_2 C7_2 H7_2 120.0 . . ?
C15_2 C8_2 H8_2 119.3 . . ?
C15_2 C8_2 C17_2 121(3) . . ?
C17_2 C8_2 H8_2 119.3 . . ?
C10_2 C9_2 H9_2 120.2 . . ?
C13_2 C9_2 H9_2 120.2 . . ?
C13_2 C9_2 C10_2 120(3) . . ?
C9_2 C10_2 H10_2 121.1 . . ?
C16_2 C10_2 C9_2 118(3) . . ?
C16_2 C10_2 H10_2 121.1 . . ?
H11A_2 C11_2 H11B_2 111.6 . . ?
C24_2 C11_2 H11A_2 114.4 . . ?
C24_2 C11_2 H11B_2 114.4 . . ?
C22_2 C11_2 H11A_2 114.4 . . ?
C22_2 C11_2 H11B_2 114.4 . . ?
C22_2 C11_2 C24_2 85(3) . . ?
H12A_2 C12_2 H12B_2 107.6 . . ?
C17_2 C12_2 H12A_2 108.7 . . ?
C17_2 C12_2 H12B_2 108.7 . . ?
C17_2 C12_2 C24_2 114(3) . . ?
C24_2 C12_2 H12A_2 108.7 . . ?
C24_2 C12_2 H12B_2 108.7 . . ?
C9_2 C13_2 C19_2 122(3) . . ?
C9_2 C13_2 F1_2 121(3) . . ?
F1_2 C13_2 C19_2 117(3) . . ?
C16_2 C14_2 Pt1_2 122(2) . . ?
C16_2 C14_2 C19_2 116(4) . . ?
C19_2 C14_2 Pt1_2 122(3) . . ?
N2_2 C15_2 C8_2 122(3) . . ?
N2_2 C15_2 C16_2 110(3) . . ?
C8_2 C15_2 C16_2 127(3) . . ?
C10_2 C16_2 C15_2 125(3) . . ?
C14_2 C16_2 C10_2 123(3) . . ?
C14_2 C16_2 C15_2 110(3) . . ?
C8_2 C17_2 C12_2 126(3) . . ?
C8_2 C17_2 C20_2 116(3) . . ?
C20_2 C17_2 C12_2 118(3) . . ?
N1_2 C18_2 C6_2 118(4) . . ?
N1_2 C18_2 C19_2 116(3) . . ?
C6_2 C18_2 C19_2 127(4) . . ?
C13_2 C19_2 C14_2 120(4) . . ?
C13_2 C19_2 C18_2 131(3) . . ?
C14_2 C19_2 C18_2 109(3) . . ?
C7_2 C20_2 C17_2 121(3) . . ?
C7_2 C20_2 C22_2 124(3) . . ?
C17_2 C20_2 C22_2 114(3) . . ?
C11_2 C24_2 C12_2 104(3) . . ?
C11_2 C24_2 H24_2 116.7 . . ?
C12_2 C24_2 H24_2 116.7 . . ?
C23_2 C24_2 C11_2 87(3) . . ?
C23_2 C24_2 C12_2 111(3) . . ?
C23_2 C24_2 H24_2 116.7 . . ?
C11_2 C22_2 H22_2 115.1 . . ?
C11_2 C22_2 C23_2 88(3) . . ?
C20_2 C22_2 C11_2 107(3) . . ?
C20_2 C22_2 H22_2 115.1 . . ?
C20_2 C22_2 C23_2 113(3) . . ?
C23_2 C22_2 H22_2 115.1 . . ?
C2_2 C23_2 C24_2 111(3) . . ?
C2_2 C23_2 C22_2 117(4) . . ?
C2_2 C23_2 C1_2 109(4) . . ?
C24_2 C23_2 C22_2 85(3) . . ?
C24_2 C23_2 C1_2 114(3) . . ?
C1_2 C23_2 C22_2 119(3) . . ?
C23_2 C1_2 H1A_2 109.5 . . ?
C23_2 C1_2 H1B_2 109.5 . . ?
C23_2 C1_2 H1C_2 109.5 . . ?
H1A_2 C1_2 H1B_2 109.5 . . ?
H1A_2 C1_2 H1C_2 109.5 . . ?
H1B_2 C1_2 H1C_2 109.5 . . ?

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_1 N2_1 C12_1 C8_1 -2(4) . . . . ?
Pt1_1 N2_1 C12_1 C13_1 -174(3) . . . . ?
Pt1_1 N2_1 C16_1 C15_1 -180(3) . . . . ?
Pt1_1 C7_1 C8_1 C9_1 178(3) . . . . ?
Pt1_1 C7_1 C8_1 C12_1 -5(4) . . . . ?
N2_1 C12_1 C13_1 C14_1 -8(7) . . . . ?
C3_1 C4_1 C5_1 C6_1 -179(4) . . . . ?
C3_1 C4_1 C5_1 N1_1 -9(6) . . . . ?
C4_1 C3_1 C2_1 C1_1 -1(7) . . . . ?
C4_1 C5_1 C6_1 C7_1 176(4) . . . . ?
C4_1 C5_1 C6_1 C11_1 -7(7) . . . . ?
C4_1 C5_1 N1_1 Pt1_1 -178(3) . . . . ?
C4_1 C5_1 N1_1 C1_1 6(5) . . . . ?
C5_1 C6_1 C7_1 Pt1_1 -3(4) . . . . ?
C5_1 C6_1 C7_1 C8_1 174(4) . . . . ?
C5_1 C6_1 C11_1 F1_1 3(7) . . . . ?
C5_1 C6_1 C11_1 C10_1 -173(4) . . . . ?
C6_1 C5_1 N1_1 Pt1_1 -6(4) . . . . ?
C6_1 C5_1 N1_1 C1_1 178(3) . . . . ?
C6_1 C7_1 C8_1 C9_1 1(6) . . . . ?
C6_1 C7_1 C8_1 C12_1 178(4) . . . . ?
C7_1 C6_1 C11_1 F1_1 180(4) . . . . ?
C7_1 C6_1 C11_1 C10_1 3(6) . . . . ?
C7_1 C8_1 C9_1 C10_1 0(6) . . . . ?
C7_1 C8_1 C12_1 N2_1 5(5) . . . . ?
C7_1 C8_1 C12_1 C13_1 176(4) . . . . ?
C8_1 C9_1 C10_1 C11_1 0(7) . . . . ?
C8_1 C12_1 C13_1 C14_1 -180(4) . . . . ?
C9_1 C8_1 C12_1 N2_1 -180(4) . . . . ?
C9_1 C8_1 C12_1 C13_1 -8(8) . . . . ?
C9_1 C10_1 C11_1 F1_1 -179(4) . . . . ?
C9_1 C10_1 C11_1 C6_1 -2(7) . . . . ?
C11_1 C6_1 C7_1 Pt1_1 -180(3) . . . . ?
C11_1 C6_1 C7_1 C8_1 -3(6) . . . . ?
C12_1 N2_1 C16_1 C15_1 -6(5) . . . . ?
C12_1 C8_1 C9_1 C10_1 -175(4) . . . . ?
C12_1 C13_1 C14_1 C15_1 -1(7) . . . . ?
C12_1 C13_1 C14_1 C23_1 -169(5) . . . . ?
C13_1 C14_1 C15_1 C16_1 7(6) . . . . ?
C13_1 C14_1 C15_1 C17_1 -175(4) . . . . ?
C13_1 C14_1 C23_1 C19_1 176(4) . . . . ?
C14_1 C15_1 C16_1 N2_1 -4(6) . . . . ?
C14_1 C15_1 C17_1 C18_1 -45(5) . . . . ?
C14_1 C15_1 C17_1 C20_1 50(5) . . . . ?
C15_1 C14_1 C23_1 C19_1 8(6) . . . . ?
C15_1 C17_1 C18_1 C19_1 84(3) . . . . ?
C15_1 C17_1 C20_1 C19_1 -82(4) . . . . ?
C15_1 C17_1 C20_1 C21_1 41(5) . . . . ?
C15_1 C17_1 C20_1 C22_1 167(3) . . . . ?
C16_1 N2_1 C12_1 C8_1 -176(3) . . . . ?
C16_1 N2_1 C12_1 C13_1 12(6) . . . . ?
C16_1 C15_1 C17_1 C18_1 132(4) . . . . ?
C16_1 C15_1 C17_1 C20_1 -133(4) . . . . ?
C17_1 C15_1 C16_1 N2_1 179(4) . . . . ?
C17_1 C18_1 C19_1 C20_1 28(3) . . . . ?
C17_1 C18_1 C19_1 C23_1 -81(4) . . . . ?
C18_1 C17_1 C20_1 C19_1 27(3) . . . . ?
C18_1 C17_1 C20_1 C21_1 150(4) . . . . ?
C18_1 C17_1 C20_1 C22_1 -84(4) . . . . ?
C18_1 C19_1 C20_1 C17_1 -27(3) . . . . ?
C18_1 C19_1 C20_1 C21_1 -149(4) . . . . ?
C18_1 C19_1 C20_1 C22_1 82(4) . . . . ?
C18_1 C19_1 C23_1 C14_1 40(5) . . . . ?
C20_1 C17_1 C18_1 C19_1 -28(3) . . . . ?
C20_1 C19_1 C23_1 C14_1 -53(5) . . . . ?
C23_1 C14_1 C15_1 C16_1 176(4) . . . . ?
C23_1 C14_1 C15_1 C17_1 -7(6) . . . . ?
C23_1 C19_1 C20_1 C17_1 82(3) . . . . ?
C23_1 C19_1 C20_1 C21_1 -40(5) . . . . ?
C23_1 C19_1 C20_1 C22_1 -169(3) . . . . ?
C2_1 C1_1 N1_1 Pt1_1 -176(3) . . . . ?
C2_1 C1_1 N1_1 C5_1 0(5) . . . . ?
C2_1 C3_1 C4_1 C5_1 6(7) . . . . ?
N1_1 C1_1 C2_1 C3_1 -2(6) . . . . ?
N1_1 C5_1 C6_1 C7_1 5(5) . . . . ?
N1_1 C5_1 C6_1 C11_1 -178(4) . . . . ?
Pt1_2 N1_2 C3_2 C4_2 -178(3) . . . . ?
Pt1_2 N1_2 C18_2 C6_2 176(3) . . . . ?
Pt1_2 N1_2 C18_2 C19_2 -2(4) . . . . ?
Pt1_2 N2_2 C7_2 C20_2 174(3) . . . . ?
Pt1_2 N2_2 C15_2 C8_2 -172(3) . . . . ?
Pt1_2 N2_2 C15_2 C16_2 -5(3) . . . . ?
Pt1_2 C14_2 C16_2 C10_2 -173(2) . . . . ?
Pt1_2 C14_2 C16_2 C15_2 -6(3) . . . . ?
Pt1_2 C14_2 C19_2 C13_2 -178(3) . . . . ?
Pt1_2 C14_2 C19_2 C18_2 -7(4) . . . . ?
N1_2 Pt1_2 C14_2 C16_2 -175(3) . . . . ?
N1_2 Pt1_2 C14_2 C19_2 4(3) . . . . ?
N1_2 C3_2 C4_2 C5_2 7(6) . . . . ?
N1_2 C18_2 C19_2 C13_2 176(4) . . . . ?
N1_2 C18_2 C19_2 C14_2 5(5) . . . . ?
N2_2 Pt1_2 C14_2 C16_2 3(2) . . . . ?
N2_2 Pt1_2 C14_2 C19_2 -178(3) . . . . ?
N2_2 C7_2 C20_2 C17_2 9(5) . . . . ?
N2_2 C7_2 C20_2 C22_2 177(3) . . . . ?
N2_2 C15_2 C16_2 C10_2 173(3) . . . . ?
N2_2 C15_2 C16_2 C14_2 7(4) . . . . ?
C3_2 N1_2 C18_2 C6_2 2(5) . . . . ?
C3_2 N1_2 C18_2 C19_2 -176(3) . . . . ?
C3_2 C4_2 C5_2 C6_2 -6(6) . . . . ?
C4_2 C5_2 C6_2 C18_2 3(6) . . . . ?
C5_2 C6_2 C18_2 N1_2 -1(6) . . . . ?
C5_2 C6_2 C18_2 C19_2 177(4) . . . . ?
C6_2 C18_2 C19_2 C13_2 -2(7) . . . . ?
C6_2 C18_2 C19_2 C14_2 -172(4) . . . . ?
C7_2 N2_2 C15_2 C8_2 12(5) . . . . ?
C7_2 N2_2 C15_2 C16_2 178(3) . . . . ?
C7_2 C20_2 C22_2 C11_2 139(4) . . . . ?
C7_2 C20_2 C22_2 C23_2 -126(4) . . . . ?
C8_2 C15_2 C16_2 C10_2 -21(5) . . . . ?
C8_2 C15_2 C16_2 C14_2 173(3) . . . . ?
C8_2 C17_2 C20_2 C7_2 -11(6) . . . . ?
C8_2 C17_2 C20_2 C22_2 -180(3) . . . . ?
C9_2 C10_2 C16_2 C14_2 -10(5) . . . . ?
C9_2 C10_2 C16_2 C15_2 -175(3) . . . . ?
C9_2 C13_2 C19_2 C14_2 -7(6) . . . . ?
C9_2 C13_2 C19_2 C18_2 -177(4) . . . . ?
C10_2 C9_2 C13_2 C19_2 4(6) . . . . ?
C10_2 C9_2 C13_2 F1_2 -175(3) . . . . ?
C11_2 C24_2 C23_2 C2_2 89(4) . . . . ?
C11_2 C24_2 C23_2 C22_2 -28(3) . . . . ?
C11_2 C24_2 C23_2 C1_2 -147(3) . . . . ?
C11_2 C22_2 C23_2 C2_2 -82(4) . . . . ?
C11_2 C22_2 C23_2 C24_2 28(3) . . . . ?
C11_2 C22_2 C23_2 C1_2 143(4) . . . . ?
C12_2 C17_2 C20_2 C7_2 178(4) . . . . ?
C12_2 C17_2 C20_2 C22_2 9(5) . . . . ?
C12_2 C24_2 C23_2 C2_2 -167(4) . . . . ?
C12_2 C24_2 C23_2 C22_2 76(4) . . . . ?
C12_2 C24_2 C23_2 C1_2 -43(4) . . . . ?
C13_2 C9_2 C10_2 C16_2 4(5) . . . . ?
C15_2 N2_2 C7_2 C20_2 -10(5) . . . . ?
C15_2 C8_2 C17_2 C12_2 -177(4) . . . . ?
C15_2 C8_2 C17_2 C20_2 13(6) . . . . ?
C16_2 C14_2 C19_2 C13_2 1(5) . . . . ?
C16_2 C14_2 C19_2 C18_2 173(3) . . . . ?
C17_2 C8_2 C15_2 N2_2 -14(6) . . . . ?
C17_2 C8_2 C15_2 C16_2 -178(3) . . . . ?
C17_2 C12_2 C24_2 C11_2 52(4) . . . . ?
C17_2 C12_2 C24_2 C23_2 -41(5) . . . . ?
C17_2 C20_2 C22_2 C11_2 -53(4) . . . . ?
C17_2 C20_2 C22_2 C23_2 42(4) . . . . ?
C18_2 N1_2 C3_2 C4_2 -5(6) . . . . ?
C19_2 C14_2 C16_2 C10_2 8(5) . . . . ?
C19_2 C14_2 C16_2 C15_2 174(3) . . . . ?
C20_2 C22_2 C23_2 C2_2 170(4) . . . . ?
C20_2 C22_2 C23_2 C24_2 -79(4) . . . . ?
C20_2 C22_2 C23_2 C1_2 35(5) . . . . ?
C24_2 C11_2 C22_2 C20_2 86(3) . . . . ?
C24_2 C11_2 C22_2 C23_2 -28(3) . . . . ?
C24_2 C12_2 C17_2 C8_2 180(4) . . . . ?
C24_2 C12_2 C17_2 C20_2 -10(5) . . . . ?
C22_2 C11_2 C24_2 C12_2 -83(3) . . . . ?
C22_2 C11_2 C24_2 C23_2 28(3) . . . . ?
F1_2 C13_2 C19_2 C14_2 172(3) . . . . ?
F1_2 C13_2 C19_2 C18_2 3(6) . . . . ?

# end Validation Reply Form
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.592(3)
2 0.408(3)

# start Validation Reply Form
_vrf_PLAT342_znz9005_0m_5        
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0508 Ang.  
RESPONSE: The crystal does not diffract well at high angles, which lead to this 
B level alert. 
;
####################################################################### 
# 
# 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_exp_1603_twin1_hklf4_sq
_database_code_depnum_ccdc_archive 'CCDC 2066700'
loop_
_audit_author_name
_audit_author_address
'X.-P. Zhang'
;Hainan Normal University
China
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2021-05-28 downloaded from the CCDC.
;
_audit_creation_date             2021-05-11
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.938(C H Cl3), C23 H20 Cl F N2 Pt'
_chemical_formula_sum            'C23.94 H20.94 Cl3.81 F N2 Pt'
_chemical_formula_weight         685.86
_chemical_absolute_configuration unk
_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'
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           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   9.3078(6)
_cell_length_b                   13.9840(10)
_cell_length_c                   20.3736(16)
_cell_angle_alpha                74.719(6)
_cell_angle_beta                 77.334(6)
_cell_angle_gamma                89.414(6)
_cell_volume                     2492.6(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3730
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0480
_cell_measurement_theta_min      3.0120
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.060
_exptl_absorpt_correction_T_min  0.72189
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green-yellow
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1322
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_unetI/netI     0.2087
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.821
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            22310
_diffrn_reflns_point_group_measured_fraction_full 0.712
_diffrn_reflns_point_group_measured_fraction_max 0.557
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.762
_diffrn_reflns_theta_min         2.692
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.821
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.358
_reflns_Friedel_fraction_full    0.431
_reflns_Friedel_fraction_max     0.294
_reflns_number_gt                8614
_reflns_number_total             15837
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         2.461
_refine_diff_density_min         -1.647
_refine_diff_density_rms         0.262
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.07(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1129
_refine_ls_number_reflns         15837
_refine_ls_number_restraints     3656
_refine_ls_R_factor_all          0.1198
_refine_ls_R_factor_gt           0.0657
_refine_ls_restrained_S_all      0.800
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0627P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1528
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.93(2)
 0.07(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H2A,H2B,H2C} of C2, {H19A,H19B,H19C} of C19, All C(H,H)
  groups
 At 1.5 times of:
  {H1A,H1B,H1C} of C1, {H20A,H20B,H20C} of C20, {H1A,H1B,H1C} of C1, {H2A,H2B,
  H2C} of C2, {H1A,H1B,H1C} of C1, {H2A,H2B,H2C} of C2
3. Restrained distances
 C5_1-C6_1
 1.54 with sigma of 0.01
 C12_3-C17_3
 1.54 with sigma of 0.01
 C15_4-C20_4
 1.54 with sigma of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 3A
Uanis(C7_2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Fixed Sof: C3(0.75) H3(0.75) Cl7(0.75) Cl8(0.75) Cl9(0.75)
7.a Everything fixed:
 C8
7.b Ternary CH refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C17(H17), C22(H22), C20(H20), C21(H21),
 C20(H20), C21(H21), C25(H25), C22(H22)
7.c Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C23(H23A,H23B), C11(H11A,H11B), C23(H23A,H23B), C19(H19A,
 H19B), C23(H23A,H23B), C11(H11A,H11B), C23(H23A,H23B)
7.d Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C13(H13), C16(H16), C1(H1), C2(H2), C3(H3), C4(H4), C3(H3),
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C7(H7), C6(H6),
 C9(H9), C14(H14), C4(H4), C3(H3), C8(H8), C5(H5), C3(H3), C4(H4), C5(H5),
 C7(H7), C9(H9), C10(H10), C16(H16), C19(H19)
7.e Fitted hexagon refined as free rotating group:
 C9(C10,C11,C12,C13,C14), N2(C15,C16,C17,C18,C19)
7.f Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C1(H1A,H1B,H1C), C2(H2A,H2B,H2C),
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C1(H1A,H1B,H1C), C2(H2A,H2B,H2C)
;
_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
C1 C 0.463(4) 0.428(4) 0.234(3) 0.051(4) Uani 1 1 d . U . . .
H1 H 0.467563 0.370159 0.272541 0.062 Uiso 1 1 calc R U . . .
C2 C -0.005(5) 0.771(4) 0.213(3) 0.064(5) Uani 1 1 d . U . . .
H2 H -0.034462 0.777129 0.260973 0.077 Uiso 1 1 calc R U . . .
C3 C 0.229(7) 0.614(5) 0.822(4) 0.076(6) Uani 0.75 1 d . U P . .
H3 H 0.262007 0.606530 0.774868 0.091 Uiso 0.75 1 calc R U P . .
C4 C 0.748(5) 0.949(4) 0.795(3) 0.064(5) Uani 1 1 d . U . . .
H4 H 0.755506 1.008893 0.756678 0.077 Uiso 1 1 calc R U . . .
Cl1 Cl 0.4486(11) 0.3858(10) 0.1595(7) 0.062(3) Uani 1 1 d . U . . .
Cl2 Cl 0.3051(12) 0.4933(11) 0.2580(8) 0.064(3) Uani 1 1 d . U . . .
Cl3 Cl 0.6159(12) 0.5051(10) 0.2165(7) 0.066(3) Uani 1 1 d . U . . .
Cl4 Cl 0.1400(15) 0.6851(13) 0.2091(9) 0.085(3) Uani 1 1 d . U . . .
Cl5 Cl -0.1556(15) 0.7265(11) 0.1913(8) 0.071(3) Uani 1 1 d . U . . .
Cl6 Cl 0.0598(13) 0.8871(11) 0.1565(7) 0.065(3) Uani 1 1 d . U . . .
Cl7 Cl 0.1918(19) 0.4968(14) 0.8707(12) 0.075(4) Uani 0.75 1 d . U P . .
Cl8 Cl 0.384(2) 0.6644(15) 0.8364(13) 0.079(4) Uani 0.75 1 d . U P . .
Cl9 Cl 0.089(2) 0.6840(16) 0.8163(13) 0.085(5) Uani 0.75 1 d . U P . .
Cl10 Cl 0.7354(12) 0.9860(10) 0.8694(7) 0.064(3) Uani 1 1 d . U . . .
Cl11 Cl 0.9022(14) 0.8861(11) 0.7762(8) 0.075(3) Uani 1 1 d . U . . .
Cl12 Cl 0.5832(14) 0.8840(10) 0.8004(8) 0.070(3) Uani 1 1 d . U . . .
F1_1 F 0.388(2) 0.7715(15) 0.6785(12) 0.027(3) Uani 1 1 d . U . . .
C6_1 C 0.551(3) 0.794(3) 0.567(2) 0.0203(15) Uani 1 1 d D U . . .
C7_1 C 0.392(3) 0.795(2) 0.609(2) 0.0214(17) Uani 1 1 d . U . . .
C8_1 C 0.286840 0.831470 0.574950 0.019 Uani 1 1 d . U . . .
H8_1 H 0.191535 0.832640 0.600872 0.023 Uiso 1 1 calc R U . . .
C9_1 C 0.314(3) 0.868(2) 0.5019(17) 0.0209(17) Uani 1 1 d . U . . .
H9_1 H 0.239953 0.894258 0.479262 0.025 Uiso 1 1 calc R U . . .
C10_1 C 0.454(3) 0.864(3) 0.466(2) 0.0215(15) Uani 1 1 d . U . . .
C11_1 C 0.569(3) 0.830(3) 0.5019(19) 0.0215(14) Uani 1 1 d . U . . .
C12_1 C 0.491(4) 0.901(2) 0.390(2) 0.0241(16) Uani 1 1 d . U . . .
C13_1 C 0.404(3) 0.935(2) 0.3449(18) 0.0258(19) Uani 1 1 d . U . . .
H13_1 H 0.303846 0.940062 0.363281 0.031 Uiso 1 1 calc R U . . .
C14_1 C 0.453(3) 0.9640(19) 0.2740(16) 0.0273(18) Uani 1 1 d . U . . .
C15_1 C 0.607(3) 0.9629(19) 0.2454(16) 0.0271(18) Uani 1 1 d . U . . .
C16_1 C 0.689(4) 0.924(2) 0.295(2) 0.026(2) Uani 1 1 d . U . . .
H16_1 H 0.788563 0.919043 0.276540 0.031 Uiso 1 1 calc R U . . .
C17_1 C 0.661(3) 0.995(2) 0.1717(15) 0.029(2) Uani 1 1 d . U . . .
H17_1 H 0.767667 0.993333 0.154405 0.035 Uiso 1 1 calc R U . . .
C18_1 C 0.555(3) 0.949(2) 0.1314(15) 0.029(2) Uani 1 1 d . U . . .
C19_1 C 0.505(3) 0.847(2) 0.1595(17) 0.031(3) Uani 1 1 d . U . . .
H19A_1 H 0.428222 0.832990 0.138149 0.037 Uiso 1 1 calc R U . . .
H19B_1 H 0.467878 0.832954 0.209071 0.037 Uiso 1 1 calc R U . . .
H19C_1 H 0.585844 0.805232 0.150102 0.037 Uiso 1 1 calc R U . . .
C20_1 C 0.622(3) 0.967(2) 0.0513(14) 0.035(3) Uani 1 1 d . U . . .
H20A_1 H 0.546105 0.953344 0.029008 0.053 Uiso 1 1 calc R U . . .
H20B_1 H 0.700248 0.922663 0.044539 0.053 Uiso 1 1 calc R U . . .
H20C_1 H 0.659173 1.034072 0.031291 0.053 Uiso 1 1 calc R U . . .
C21_1 C 0.588(3) 1.096(2) 0.1442(16) 0.030(2) Uani 1 1 d . U . . .
H21A_1 H 0.575443 1.138740 0.175489 0.035 Uiso 1 1 calc R U . . .
H21B_1 H 0.634467 1.132696 0.096826 0.035 Uiso 1 1 calc R U . . .
C22_1 C 0.446(3) 1.0342(19) 0.1498(15) 0.030(2) Uani 1 1 d . U . . .
H22_1 H 0.387221 1.062514 0.115382 0.035 Uiso 1 1 calc R U . . .
C23_1 C 0.360(3) 1.002(2) 0.2250(14) 0.029(2) Uani 1 1 d . U . . .
H23A_1 H 0.308590 1.057706 0.236950 0.034 Uiso 1 1 calc R U . . .
H23B_1 H 0.286081 0.950413 0.229597 0.034 Uiso 1 1 calc R U . . .
N1_1 N 0.812(3) 0.774(2) 0.5294(16) 0.0210(18) Uani 1 1 d . U . . .
C1_1 C 0.936(4) 0.747(3) 0.544(2) 0.021(2) Uani 1 1 d . U . . .
H1_1 H 1.015782 0.756006 0.505719 0.025 Uiso 1 1 calc R U . . .
C2_1 C 0.961(3) 0.709(2) 0.6020(16) 0.022(2) Uani 1 1 d . U . . .
H2_1 H 1.053892 0.685402 0.605277 0.026 Uiso 1 1 calc R U . . .
C3_1 C 0.852(3) 0.702(2) 0.664(2) 0.022(2) Uani 1 1 d . U . . .
H3_1 H 0.870911 0.682930 0.708294 0.026 Uiso 1 1 calc R U . . .
C4_1 C 0.710(4) 0.728(3) 0.652(2) 0.021(2) Uani 1 1 d . U . . .
H4_1 H 0.630012 0.718462 0.690019 0.026 Uiso 1 1 calc R U . . .
C5_1 C 0.690(3) 0.761(2) 0.5945(18) 0.0215(18) Uani 1 1 d D U . . .
N2_1 N 0.649(3) 0.893(2) 0.3594(17) 0.0237(17) Uani 1 1 d . U . . .
Cl1_1 Cl 1.0036(10) 0.8439(8) 0.3617(6) 0.031(2) Uani 1 1 d . U . . .
Pt1_1 Pt 0.75699(11) 0.83438(8) 0.43639(7) 0.0214(4) Uani 1 1 d . U . . .
C1_2 C 0.680(3) 0.251(2) 0.8758(16) 0.034(3) Uani 1 1 d . U . . .
H1A_2 H 0.720574 0.265809 0.826368 0.051 Uiso 1 1 calc R U . . .
H1B_2 H 0.583162 0.219975 0.886320 0.051 Uiso 1 1 calc R U . . .
H1C_2 H 0.742377 0.205997 0.899958 0.051 Uiso 1 1 calc R U . . .
F1_2 F 0.862(2) 0.6087(16) 0.3499(12) 0.030(3) Uani 1 1 d . U . . .
C2_2 C 0.606(3) 0.336(2) 0.9790(15) 0.037(3) Uani 1 1 d . U . . .
H2A_2 H 0.631735 0.393370 0.992548 0.056 Uiso 1 1 calc R U . . .
H2B_2 H 0.644105 0.278338 1.005261 0.056 Uiso 1 1 calc R U . . .
H2C_2 H 0.500311 0.328049 0.987955 0.056 Uiso 1 1 calc R U . . .
C3_2 C 0.403(3) 0.679(2) 0.360(2) 0.021(2) Uani 1 1 d . U . . .
H3_2 H 0.393791 0.708623 0.315137 0.025 Uiso 1 1 calc R U . . .
C4_2 C 0.290(3) 0.669(2) 0.4102(16) 0.022(2) Uani 1 1 d . U . . .
H4_2 H 0.198001 0.686941 0.401044 0.026 Uiso 1 1 calc R U . . .
C5_2 C 0.308(4) 0.629(3) 0.484(2) 0.020(2) Uani 1 1 d . U . . .
H5_2 H 0.226196 0.624447 0.520811 0.024 Uiso 1 1 calc R U . . .
C6_2 C 0.548(4) 0.465(2) 0.735(2) 0.027(2) Uani 1 1 d . U . . .
H6_2 H 0.447825 0.464969 0.754264 0.033 Uiso 1 1 calc R U . . .
C7_2 C 0.944(3) 0.5446(17) 0.4469(14) 0.0184(19) Uani 1 1 d . U . . .
H7_2 H 1.034969 0.550419 0.416042 0.022 Uiso 1 1 calc R U . . .
C8_2 C 0.851(3) 0.458(2) 0.6800(18) 0.0263(19) Uani 1 1 d . U . . .
H8_2 H 0.950026 0.451643 0.661325 0.032 Uiso 1 1 calc R U . . .
C9_2 C 0.535(3) 0.648(3) 0.370(2) 0.021(2) Uani 1 1 d . U . . .
H9_2 H 0.613588 0.653656 0.331826 0.025 Uiso 1 1 calc R U . . .
C10_2 C 0.938(3) 0.511(2) 0.5144(16) 0.0203(19) Uani 1 1 d . U . . .
H10_2 H 1.022023 0.489442 0.530124 0.024 Uiso 1 1 calc R U . . .
C11_2 C 0.895(3) 0.427(2) 0.8051(14) 0.030(2) Uani 1 1 d . U . . .
H11A_2 H 0.945002 0.365827 0.805498 0.036 Uiso 1 1 calc R U . . .
H11B_2 H 0.969883 0.481170 0.790539 0.036 Uiso 1 1 calc R U . . .
C12_2 C 0.816(3) 0.573(2) 0.418(2) 0.0198(19) Uani 1 1 d . U . . .
C13_2 C 0.679(3) 0.543(3) 0.5313(19) 0.0208(16) Uani 1 1 d . U . . .
C14_2 C 0.695(3) 0.575(3) 0.461(2) 0.0195(16) Uani 1 1 d . U . . .
C15_2 C 0.751(4) 0.481(3) 0.641(2) 0.0244(17) Uani 1 1 d . U . . .
C16_2 C 0.555(3) 0.605(2) 0.4433(17) 0.0196(17) Uani 1 1 d . U . . .
C17_2 C 0.793(3) 0.4438(19) 0.7524(16) 0.0286(18) Uani 1 1 d . U . . .
C18_2 C 0.795(3) 0.507(3) 0.565(2) 0.0209(16) Uani 1 1 d . U . . .
C19_2 C 0.648(3) 0.445(2) 0.7793(16) 0.0290(18) Uani 1 1 d . U . . .
C20_2 C 0.808(3) 0.4224(19) 0.8772(15) 0.032(2) Uani 1 1 d . U . . .
H20_2 H 0.867439 0.415300 0.912166 0.038 Uiso 1 1 calc R U . . .
C21_2 C 0.592(3) 0.440(2) 0.8582(14) 0.031(2) Uani 1 1 d . U . . .
H21_2 H 0.486676 0.445768 0.875870 0.037 Uiso 1 1 calc R U . . .
C22_2 C 0.672(3) 0.351(2) 0.9002(15) 0.032(2) Uani 1 1 d . U . . .
N2_2 N 0.602(3) 0.486(2) 0.6617(16) 0.0235(17) Uani 1 1 d . U . . .
N3_2 N 0.438(3) 0.600(2) 0.4979(16) 0.0200(18) Uani 1 1 d . U . . .
Cl1_2 Cl 0.2463(9) 0.5293(8) 0.6629(6) 0.025(2) Uani 1 1 d . U . . .
Pt1_2 Pt 0.48708(11) 0.53943(8) 0.59024(7) 0.0195(4) Uani 1 1 d . U . . .
C23_2 C 0.701(3) 0.505(2) 0.8763(18) 0.031(2) Uani 1 1 d . U . . .
H23A_2 H 0.736264 0.565712 0.839852 0.037 Uiso 1 1 calc R U . . .
H23B_2 H 0.667190 0.518939 0.921247 0.037 Uiso 1 1 calc R U . . .
C1_3 C 0.228(3) 0.2453(18) 0.9092(14) 0.030(3) Uani 1 1 d . U . . .
H1A_3 H 0.226894 0.274320 0.861007 0.045 Uiso 1 1 calc R U . . .
H1B_3 H 0.317784 0.265927 0.918427 0.045 Uiso 1 1 calc R U . . .
H1C_3 H 0.145321 0.266605 0.938334 0.045 Uiso 1 1 calc R U . . .
F1_3 F 0.5117(19) 0.4158(15) 0.3759(10) 0.036(3) Uani 1 1 d . U . . .
C2_3 C 0.229(3) 0.080(2) 1.0006(14) 0.033(3) Uani 1 1 d . U . . .
H2A_3 H 0.210871 0.010091 1.010560 0.049 Uiso 1 1 calc R U . . .
H2B_3 H 0.158104 0.106353 1.032399 0.049 Uiso 1 1 calc R U . . .
H2C_3 H 0.326666 0.093553 1.006025 0.049 Uiso 1 1 calc R U . . .
C7_3 C 0.483(3) 0.176(2) 0.7506(15) 0.0251(18) Uani 1 1 d . U . . .
H7_3 H 0.568960 0.154589 0.764974 0.030 Uiso 1 1 calc R U . . .
C6_3 C 0.232(3) 0.238(2) 0.7073(14) 0.0265(19) Uani 1 1 d . U . . .
H6_3 H 0.147071 0.261779 0.692657 0.032 Uiso 1 1 calc R U . . .
C9_3 C 0.2806(16) 0.3432(16) 0.5522(9) 0.0241(19) Uani 1 1 d G U . . .
H9_3 H 0.182771 0.344698 0.575001 0.029 Uiso 1 1 calc R U . . .
C10_3 C 0.384(2) 0.3016(16) 0.5901(8) 0.0239(16) Uani 1 1 d G U . . .
C11_3 C 0.5300(19) 0.2993(17) 0.5561(11) 0.0228(16) Uani 1 1 d G U . . .
C12_3 C 0.5731(15) 0.3386(18) 0.4841(11) 0.0229(16) Uani 1 1 d DG U . . .
C13_3 C 0.470(2) 0.3801(16) 0.4463(8) 0.0245(19) Uani 1 1 d G U . . .
C14_3 C 0.3237(18) 0.3824(15) 0.4803(9) 0.024(2) Uani 1 1 d G U . . .
H14_3 H 0.254725 0.410212 0.454958 0.029 Uiso 1 1 calc R U . . .
C15_3 C 0.359(3) 0.260(2) 0.6628(14) 0.0244(16) Uani 1 1 d . U . . .
C16_3 C 0.218(3) 0.180(2) 0.7770(15) 0.0278(18) Uani 1 1 d . U . . .
C18_3 C 0.350(3) 0.151(2) 0.7974(15) 0.0280(18) Uani 1 1 d . U . . .
C20_3 C 0.097(3) 0.075(2) 0.9025(15) 0.030(2) Uani 1 1 d . U . . .
H20_3 H 0.009283 0.047896 0.939013 0.036 Uiso 1 1 calc R U . . .
C19_3 C 0.205(3) 0.004(2) 0.8871(16) 0.030(2) Uani 1 1 d . U . . .
H19A_3 H 0.200548 -0.015711 0.845322 0.036 Uiso 1 1 calc R U . . .
H19B_3 H 0.202539 -0.053902 0.926155 0.036 Uiso 1 1 calc R U . . .
C21_3 C 0.329(3) 0.077(2) 0.8764(15) 0.029(2) Uani 1 1 d . U . . .
H21_3 H 0.418240 0.052075 0.891812 0.035 Uiso 1 1 calc R U . . .
C22_3 C 0.218(3) 0.131(2) 0.9248(15) 0.029(2) Uani 1 1 d . U . . .
C23_3 C 0.070(3) 0.141(2) 0.8329(14) 0.029(2) Uani 1 1 d . U . . .
H23A_3 H 0.015199 0.197572 0.841911 0.035 Uiso 1 1 calc R U . . .
H23B_3 H 0.009857 0.103530 0.814111 0.035 Uiso 1 1 calc R U . . .
N1_3 N 0.794(3) 0.286(2) 0.5118(17) 0.0219(17) Uani 1 1 d . U . . .
C17_3 C 0.738(2) 0.325(3) 0.456(2) 0.0223(17) Uani 1 1 d D U . . .
C4_3 C 0.819(3) 0.358(3) 0.3865(19) 0.022(2) Uani 1 1 d . U . . .
H4_3 H 0.773752 0.393991 0.351947 0.027 Uiso 1 1 calc R U . . .
C3_3 C 0.965(3) 0.336(2) 0.3699(19) 0.022(2) Uani 1 1 d . U . . .
H3_3 H 1.019387 0.351215 0.324061 0.026 Uiso 1 1 calc R U . . .
C8_3 C 1.022(4) 0.291(2) 0.424(2) 0.023(2) Uani 1 1 d . U . . .
H8_3 H 1.120202 0.274135 0.414283 0.027 Uiso 1 1 calc R U . . .
C5_3 C 0.948(3) 0.266(2) 0.4971(19) 0.022(2) Uani 1 1 d . U . . .
H5_3 H 0.996275 0.239571 0.532502 0.026 Uiso 1 1 calc R U . . .
N2_3 N 0.493(2) 0.2289(18) 0.6873(13) 0.0244(17) Uani 1 1 d . U . . .
Cl1_3 Cl 0.8550(9) 0.1896(8) 0.6732(6) 0.028(2) Uani 1 1 d . U . . .
Pt1_3 Pt 0.67215(10) 0.25031(8) 0.60711(7) 0.0200(4) Uani 1 1 d . U . . .
C1_4 C 1.014(3) 0.423(2) 0.1611(14) 0.032(3) Uani 1 1 d . U . . .
H1A_4 H 0.996268 0.380576 0.207823 0.048 Uiso 1 1 calc R U . . .
H1B_4 H 0.949692 0.477250 0.159528 0.048 Uiso 1 1 calc R U . . .
H1C_4 H 1.114981 0.448903 0.147294 0.048 Uiso 1 1 calc R U . . .
F1_4 F 0.7425(18) -0.0338(13) 0.6376(9) 0.025(3) Uani 1 1 d . U . . .
C2_4 C 0.982(3) 0.433(2) 0.0486(14) 0.034(3) Uani 1 1 d . U . . .
H2A_4 H 0.947241 0.494911 0.057059 0.041 Uiso 1 1 calc R U . . .
H2B_4 H 0.915402 0.407438 0.026594 0.041 Uiso 1 1 calc R U . . .
H2C_4 H 1.078359 0.444487 0.018504 0.041 Uiso 1 1 calc R U . . .
C25_4 C 1.080(3) 0.275(2) 0.1042(15) 0.029(2) Uani 1 1 d . U . . .
H25_4 H 1.164629 0.288267 0.064134 0.035 Uiso 1 1 calc R U . . .
C24_4 C 0.987(3) 0.365(2) 0.1121(15) 0.028(2) Uani 1 1 d . U . . .
C3_4 C 0.198(4) 0.071(2) 0.6006(19) 0.021(2) Uani 1 1 d . U . . .
H3_4 H 0.097314 0.079729 0.612401 0.025 Uiso 1 1 calc R U . . .
C4_4 C 0.276(3) 0.096(2) 0.5368(19) 0.020(2) Uani 1 1 d . U . . .
H4_4 H 0.223860 0.122079 0.502416 0.025 Uiso 1 1 calc R U . . .
C5_4 C 0.283(3) 0.028(2) 0.6514(18) 0.021(2) Uani 1 1 d . U . . .
H5_4 H 0.235179 0.005747 0.698143 0.025 Uiso 1 1 calc R U . . .
C7_4 C 0.915(3) 0.003(2) 0.5298(13) 0.021(2) Uani 1 1 d . U . . .
H7_4 H 0.987517 -0.022837 0.553161 0.025 Uiso 1 1 calc R U . . .
C6_4 C 0.648(3) 0.043(2) 0.5374(15) 0.0201(16) Uani 1 1 d . U . . .
C9_4 C 0.432(3) 0.019(3) 0.6332(18) 0.020(2) Uani 1 1 d . U . . .
H9_4 H 0.484921 -0.005671 0.667347 0.024 Uiso 1 1 calc R U . . .
C10_4 C 0.951(3) 0.037(2) 0.4616(14) 0.0220(19) Uani 1 1 d . U . . .
H10_4 H 1.048021 0.036316 0.437035 0.026 Uiso 1 1 calc R U . . .
C11_4 C 1.112(3) 0.209(2) 0.1729(14) 0.027(2) Uani 1 1 d . U . . .
H11A_4 H 1.146247 0.146298 0.166331 0.033 Uiso 1 1 calc R U . . .
H11B_4 H 1.188223 0.242053 0.185957 0.033 Uiso 1 1 calc R U . . .
C12_4 C 0.769(3) 0.004(2) 0.5700(15) 0.0212(19) Uani 1 1 d . U . . .
C13_4 C 0.697(3) 0.075(2) 0.4649(16) 0.0204(16) Uani 1 1 d . U . . .
C14_4 C 0.500(3) 0.047(3) 0.566(2) 0.0202(17) Uani 1 1 d . U . . .
N2_4 N 0.7244(15) 0.1585(14) 0.3331(8) 0.0234(17) Uani 1 1 d G U . . .
C15_4 C 0.8575(19) 0.1248(13) 0.3484(7) 0.0229(17) Uani 1 1 d DG U . . .
C16_4 C 0.9852(15) 0.1420(14) 0.2958(9) 0.0251(19) Uani 1 1 d G U . . .
H16_4 H 1.074234 0.119463 0.305962 0.030 Uiso 1 1 calc R U . . .
C17_4 C 0.9799(15) 0.1929(14) 0.2279(7) 0.0266(18) Uani 1 1 d G U . . .
C18_4 C 0.8468(19) 0.2266(13) 0.2126(7) 0.0269(18) Uani 1 1 d G U . . .
C19_4 C 0.7191(15) 0.2094(14) 0.2652(9) 0.025(2) Uani 1 1 d G U . . .
H19_4 H 0.630068 0.231908 0.255024 0.030 Uiso 1 1 calc R U . . .
C20_4 C 0.838(3) 0.0738(19) 0.4266(8) 0.0217(16) Uani 1 1 d D U . . .
C22_4 C 0.853(3) 0.279(2) 0.1437(15) 0.028(2) Uani 1 1 d . U . . .
H22_4 H 0.757662 0.299255 0.133162 0.033 Uiso 1 1 calc R U . . .
C23_4 C 0.946(3) 0.225(2) 0.0940(15) 0.028(2) Uani 1 1 d . U . . .
H23A_4 H 0.939832 0.153742 0.111527 0.034 Uiso 1 1 calc R U . . .
H23B_4 H 0.931643 0.246181 0.046678 0.034 Uiso 1 1 calc R U . . .
N1_4 N 0.414(3) 0.090(2) 0.5153(16) 0.0203(18) Uani 1 1 d . U . . .
Cl1_4 Cl 0.3575(10) 0.1899(8) 0.3501(6) 0.028(2) Uani 1 1 d . U . . .
Pt1_4 Pt 0.54611(10) 0.13061(8) 0.41511(6) 0.0189(4) Uani 1 1 d . 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
C1 H1 0.9800 . ?
C1 Cl1 1.79(5) . ?
C1 Cl2 1.77(4) . ?
C1 Cl3 1.72(4) . ?
C2 H2 0.9800 . ?
C2 Cl4 1.80(5) . ?
C2 Cl5 1.73(4) . ?
C2 Cl6 1.75(5) . ?
C3 H3 0.9800 . ?
C3 Cl7 1.67(7) . ?
C3 Cl8 1.72(6) . ?
C3 Cl9 1.63(6) . ?
C4 H4 0.9800 . ?
C4 Cl10 1.71(5) . ?
C4 Cl11 1.70(5) . ?
C4 Cl12 1.76(5) . ?
F1_1 C7_1 1.35(4) . ?
C6_1 C7_1 1.54(5) . ?
C6_1 C11_1 1.27(5) . ?
C6_1 C5_1 1.539(12) . ?
C7_1 C8_1 1.35(3) . ?
C8_1 H8_1 0.9300 . ?
C8_1 C9_1 1.41(3) . ?
C9_1 H9_1 0.9300 . ?
C9_1 C10_1 1.36(4) . ?
C10_1 C11_1 1.42(4) . ?
C10_1 C12_1 1.47(5) . ?
C11_1 Pt1_1 1.95(3) . ?
C12_1 C13_1 1.35(4) . ?
C12_1 N2_1 1.48(4) . ?
C13_1 H13_1 0.9300 . ?
C13_1 C14_1 1.37(4) . ?
C14_1 C15_1 1.43(4) . ?
C14_1 C23_1 1.45(4) . ?
C15_1 C16_1 1.38(4) . ?
C15_1 C17_1 1.42(4) . ?
C16_1 H16_1 0.9300 . ?
C16_1 N2_1 1.25(4) . ?
C17_1 H17_1 0.9800 . ?
C17_1 C18_1 1.64(4) . ?
C17_1 C21_1 1.59(4) . ?
C18_1 C19_1 1.44(4) . ?
C18_1 C20_1 1.57(4) . ?
C18_1 C22_1 1.62(4) . ?
C19_1 H19A_1 0.9600 . ?
C19_1 H19B_1 0.9600 . ?
C19_1 H19C_1 0.9600 . ?
C20_1 H20A_1 0.9600 . ?
C20_1 H20B_1 0.9600 . ?
C20_1 H20C_1 0.9600 . ?
C21_1 H21A_1 0.9700 . ?
C21_1 H21B_1 0.9700 . ?
C21_1 C22_1 1.56(4) . ?
C22_1 H22_1 0.9800 . ?
C22_1 C23_1 1.51(4) . ?
C23_1 H23A_1 0.9700 . ?
C23_1 H23B_1 0.9700 . ?
N1_1 C1_1 1.27(4) . ?
N1_1 C5_1 1.52(4) . ?
N1_1 Pt1_1 2.04(3) . ?
C1_1 H1_1 0.9300 . ?
C1_1 C2_1 1.24(5) . ?
C2_1 H2_1 0.9300 . ?
C2_1 C3_1 1.42(4) . ?
C3_1 H3_1 0.9300 . ?
C3_1 C4_1 1.42(4) . ?
C4_1 H4_1 0.9300 . ?
C4_1 C5_1 1.19(5) . ?
N2_1 Pt1_1 2.04(3) . ?
Cl1_1 Pt1_1 2.444(10) . ?
C1_2 H1A_2 0.9600 . ?
C1_2 H1B_2 0.9600 . ?
C1_2 H1C_2 0.9600 . ?
C1_2 C22_2 1.61(4) . ?
F1_2 C12_2 1.32(4) . ?
C2_2 H2A_2 0.9600 . ?
C2_2 H2B_2 0.9600 . ?
C2_2 H2C_2 0.9600 . ?
C2_2 C22_2 1.55(4) . ?
C3_2 H3_2 0.9300 . ?
C3_2 C4_2 1.28(4) . ?
C3_2 C9_2 1.33(4) . ?
C4_2 H4_2 0.9300 . ?
C4_2 C5_2 1.51(5) . ?
C5_2 H5_2 0.9300 . ?
C5_2 N3_2 1.34(4) . ?
C6_2 H6_2 0.9300 . ?
C6_2 C19_2 1.40(4) . ?
C6_2 N2_2 1.43(5) . ?
C7_2 H7_2 0.9300 . ?
C7_2 C10_2 1.32(4) . ?
C7_2 C12_2 1.44(4) . ?
C8_2 H8_2 0.9300 . ?
C8_2 C15_2 1.34(4) . ?
C8_2 C17_2 1.42(4) . ?
C9_2 H9_2 0.9300 . ?
C9_2 C16_2 1.51(5) . ?
C10_2 H10_2 0.9300 . ?
C10_2 C18_2 1.49(5) . ?
C11_2 H11A_2 0.9700 . ?
C11_2 H11B_2 0.9700 . ?
C11_2 C17_2 1.56(4) . ?
C11_2 C20_2 1.50(4) . ?
C12_2 C14_2 1.27(5) . ?
C13_2 C14_2 1.35(5) . ?
C13_2 C18_2 1.43(4) . ?
C13_2 Pt1_2 1.91(3) . ?
C14_2 C16_2 1.46(4) . ?
C15_2 C18_2 1.45(5) . ?
C15_2 N2_2 1.36(4) . ?
C16_2 N3_2 1.36(4) . ?
C17_2 C19_2 1.35(4) . ?
C19_2 C21_2 1.56(4) . ?
C20_2 H20_2 0.9800 . ?
C20_2 C22_2 1.53(4) . ?
C20_2 C23_2 1.52(4) . ?
C21_2 H21_2 0.9800 . ?
C21_2 C22_2 1.59(4) . ?
C21_2 C23_2 1.54(4) . ?
N2_2 Pt1_2 1.98(3) . ?
N3_2 Pt1_2 2.00(3) . ?
Cl1_2 Pt1_2 2.383(9) . ?
C23_2 H23A_2 0.9700 . ?
C23_2 H23B_2 0.9700 . ?
C1_3 H1A_3 0.9600 . ?
C1_3 H1B_3 0.9600 . ?
C1_3 H1C_3 0.9600 . ?
C1_3 C22_3 1.55(4) . ?
F1_3 C13_3 1.36(2) . ?
C2_3 H2A_3 0.9600 . ?
C2_3 H2B_3 0.9600 . ?
C2_3 H2C_3 0.9600 . ?
C2_3 C22_3 1.55(4) . ?
C7_3 H7_3 0.9300 . ?
C7_3 C18_3 1.37(3) . ?
C7_3 N2_3 1.29(3) . ?
C6_3 H6_3 0.9300 . ?
C6_3 C15_3 1.31(3) . ?
C6_3 C16_3 1.42(4) . ?
C9_3 H9_3 0.9300 . ?
C9_3 C10_3 1.3900 . ?
C9_3 C14_3 1.3900 . ?
C10_3 C11_3 1.3900 . ?
C10_3 C15_3 1.41(3) . ?
C11_3 C12_3 1.3900 . ?
C11_3 Pt1_3 1.874(14) . ?
C12_3 C13_3 1.3900 . ?
C12_3 C17_3 1.542(12) . ?
C13_3 C14_3 1.3900 . ?
C14_3 H14_3 0.9300 . ?
C15_3 N2_3 1.46(3) . ?
C16_3 C18_3 1.41(4) . ?
C16_3 C23_3 1.58(4) . ?
C18_3 C21_3 1.64(4) . ?
C20_3 H20_3 0.9800 . ?
C20_3 C19_3 1.45(3) . ?
C20_3 C22_3 1.58(4) . ?
C20_3 C23_3 1.55(4) . ?
C19_3 H19A_3 0.9700 . ?
C19_3 H19B_3 0.9700 . ?
C19_3 C21_3 1.49(3) . ?
C21_3 H21_3 0.9800 . ?
C21_3 C22_3 1.59(4) . ?
C23_3 H23A_3 0.9700 . ?
C23_3 H23B_3 0.9700 . ?
N1_3 C17_3 1.33(5) . ?
N1_3 C5_3 1.43(4) . ?
N1_3 Pt1_3 1.96(3) . ?
C17_3 C4_3 1.41(5) . ?
C4_3 H4_3 0.9300 . ?
C4_3 C3_3 1.38(4) . ?
C3_3 H3_3 0.9300 . ?
C3_3 C8_3 1.34(5) . ?
C8_3 H8_3 0.9300 . ?
C8_3 C5_3 1.44(5) . ?
C5_3 H5_3 0.9300 . ?
N2_3 Pt1_3 2.02(2) . ?
Cl1_3 Pt1_3 2.408(9) . ?
C1_4 H1A_4 0.9600 . ?
C1_4 H1B_4 0.9600 . ?
C1_4 H1C_4 0.9600 . ?
C1_4 C24_4 1.51(3) . ?
F1_4 C12_4 1.31(3) . ?
C2_4 H2A_4 0.9600 . ?
C2_4 H2B_4 0.9600 . ?
C2_4 H2C_4 0.9600 . ?
C2_4 C24_4 1.40(4) . ?
C25_4 H25_4 0.9800 . ?
C25_4 C24_4 1.55(4) . ?
C25_4 C11_4 1.54(4) . ?
C25_4 C23_4 1.51(3) . ?
C24_4 C22_4 1.64(4) . ?
C3_4 H3_4 0.9300 . ?
C3_4 C4_4 1.30(5) . ?
C3_4 C5_4 1.44(5) . ?
C4_4 H4_4 0.9300 . ?
C4_4 N1_4 1.28(4) . ?
C5_4 H5_4 0.9300 . ?
C5_4 C9_4 1.37(4) . ?
C7_4 H7_4 0.9300 . ?
C7_4 C10_4 1.31(3) . ?
C7_4 C12_4 1.42(3) . ?
C6_4 C12_4 1.46(4) . ?
C6_4 C13_4 1.40(3) . ?
C6_4 C14_4 1.38(4) . ?
C9_4 H9_4 0.9300 . ?
C9_4 C14_4 1.34(5) . ?
C10_4 H10_4 0.9300 . ?
C10_4 C20_4 1.42(3) . ?
C11_4 H11A_4 0.9700 . ?
C11_4 H11B_4 0.9700 . ?
C11_4 C17_4 1.44(3) . ?
C13_4 C20_4 1.38(3) . ?
C13_4 Pt1_4 1.95(3) . ?
C14_4 N1_4 1.45(4) . ?
N2_4 C15_4 1.3900 . ?
N2_4 C19_4 1.3900 . ?
N2_4 Pt1_4 2.037(12) . ?
C15_4 C16_4 1.3900 . ?
C15_4 C20_4 1.535(11) . ?
C16_4 H16_4 0.9300 . ?
C16_4 C17_4 1.3900 . ?
C17_4 C18_4 1.3900 . ?
C18_4 C19_4 1.3900 . ?
C18_4 C22_4 1.39(3) . ?
C19_4 H19_4 0.9300 . ?
C22_4 H22_4 0.9800 . ?
C22_4 C23_4 1.53(4) . ?
C23_4 H23A_4 0.9700 . ?
C23_4 H23B_4 0.9700 . ?
N1_4 Pt1_4 2.07(3) . ?
Cl1_4 Pt1_4 2.436(9) . ?

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
Cl1 C1 H1 109.0 . . ?
Cl2 C1 H1 109.0 . . ?
Cl2 C1 Cl1 110(2) . . ?
Cl3 C1 H1 109.0 . . ?
Cl3 C1 Cl1 112(3) . . ?
Cl3 C1 Cl2 108(3) . . ?
Cl4 C2 H2 108.9 . . ?
Cl5 C2 H2 108.9 . . ?
Cl5 C2 Cl4 110(2) . . ?
Cl5 C2 Cl6 111(3) . . ?
Cl6 C2 H2 108.9 . . ?
Cl6 C2 Cl4 109(2) . . ?
Cl7 C3 H3 103.0 . . ?
Cl7 C3 Cl8 111(4) . . ?
Cl8 C3 H3 103.0 . . ?
Cl9 C3 H3 103.0 . . ?
Cl9 C3 Cl7 117(4) . . ?
Cl9 C3 Cl8 117(4) . . ?
Cl10 C4 H4 106.7 . . ?
Cl10 C4 Cl12 109(3) . . ?
Cl11 C4 H4 106.7 . . ?
Cl11 C4 Cl10 113(3) . . ?
Cl11 C4 Cl12 114(3) . . ?
Cl12 C4 H4 106.7 . . ?
C11_1 C6_1 C7_1 114(3) . . ?
C11_1 C6_1 C5_1 117(3) . . ?
C5_1 C6_1 C7_1 129(3) . . ?
F1_1 C7_1 C6_1 111(3) . . ?
C8_1 C7_1 F1_1 129(3) . . ?
C8_1 C7_1 C6_1 119(3) . . ?
C7_1 C8_1 H8_1 118.4 . . ?
C7_1 C8_1 C9_1 123(2) . . ?
C9_1 C8_1 H8_1 118.4 . . ?
C8_1 C9_1 H9_1 121.9 . . ?
C10_1 C9_1 C8_1 116(3) . . ?
C10_1 C9_1 H9_1 121.9 . . ?
C9_1 C10_1 C11_1 121(3) . . ?
C9_1 C10_1 C12_1 119(3) . . ?
C11_1 C10_1 C12_1 119(3) . . ?
C6_1 C11_1 C10_1 126(3) . . ?
C6_1 C11_1 Pt1_1 123(2) . . ?
C10_1 C11_1 Pt1_1 111(3) . . ?
C10_1 C12_1 N2_1 112(3) . . ?
C13_1 C12_1 C10_1 131(3) . . ?
C13_1 C12_1 N2_1 117(3) . . ?
C12_1 C13_1 H13_1 118.0 . . ?
C12_1 C13_1 C14_1 124(3) . . ?
C14_1 C13_1 H13_1 118.0 . . ?
C13_1 C14_1 C15_1 119(3) . . ?
C13_1 C14_1 C23_1 124(3) . . ?
C15_1 C14_1 C23_1 117(3) . . ?
C16_1 C15_1 C14_1 114(3) . . ?
C16_1 C15_1 C17_1 127(3) . . ?
C17_1 C15_1 C14_1 119(3) . . ?
C15_1 C16_1 H16_1 115.0 . . ?
N2_1 C16_1 C15_1 130(3) . . ?
N2_1 C16_1 H16_1 115.0 . . ?
C15_1 C17_1 H17_1 116.5 . . ?
C15_1 C17_1 C18_1 111(2) . . ?
C15_1 C17_1 C21_1 107(2) . . ?
C18_1 C17_1 H17_1 116.5 . . ?
C21_1 C17_1 H17_1 116.5 . . ?
C21_1 C17_1 C18_1 84.5(19) . . ?
C19_1 C18_1 C17_1 118(2) . . ?
C19_1 C18_1 C20_1 107(2) . . ?
C19_1 C18_1 C22_1 119(2) . . ?
C20_1 C18_1 C17_1 114(2) . . ?
C20_1 C18_1 C22_1 114(2) . . ?
C22_1 C18_1 C17_1 84.0(18) . . ?
C18_1 C19_1 H19A_1 109.5 . . ?
C18_1 C19_1 H19B_1 109.5 . . ?
C18_1 C19_1 H19C_1 109.5 . . ?
H19A_1 C19_1 H19B_1 109.5 . . ?
H19A_1 C19_1 H19C_1 109.5 . . ?
H19B_1 C19_1 H19C_1 109.5 . . ?
C18_1 C20_1 H20A_1 109.5 . . ?
C18_1 C20_1 H20B_1 109.5 . . ?
C18_1 C20_1 H20C_1 109.5 . . ?
H20A_1 C20_1 H20B_1 109.5 . . ?
H20A_1 C20_1 H20C_1 109.5 . . ?
H20B_1 C20_1 H20C_1 109.5 . . ?
C17_1 C21_1 H21A_1 114.0 . . ?
C17_1 C21_1 H21B_1 114.0 . . ?
H21A_1 C21_1 H21B_1 111.2 . . ?
C22_1 C21_1 C17_1 88.0(19) . . ?
C22_1 C21_1 H21A_1 114.0 . . ?
C22_1 C21_1 H21B_1 114.0 . . ?
C18_1 C22_1 H22_1 115.5 . . ?
C21_1 C22_1 C18_1 86.0(19) . . ?
C21_1 C22_1 H22_1 115.5 . . ?
C23_1 C22_1 C18_1 111(2) . . ?
C23_1 C22_1 C21_1 110(2) . . ?
C23_1 C22_1 H22_1 115.5 . . ?
C14_1 C23_1 C22_1 113(2) . . ?
C14_1 C23_1 H23A_1 109.0 . . ?
C14_1 C23_1 H23B_1 109.0 . . ?
C22_1 C23_1 H23A_1 109.0 . . ?
C22_1 C23_1 H23B_1 109.0 . . ?
H23A_1 C23_1 H23B_1 107.8 . . ?
C1_1 N1_1 C5_1 112(3) . . ?
C1_1 N1_1 Pt1_1 131(3) . . ?
C5_1 N1_1 Pt1_1 116.6(17) . . ?
N1_1 C1_1 H1_1 116.2 . . ?
C2_1 C1_1 N1_1 128(4) . . ?
C2_1 C1_1 H1_1 116.2 . . ?
C1_1 C2_1 H2_1 119.5 . . ?
C1_1 C2_1 C3_1 121(3) . . ?
C3_1 C2_1 H2_1 119.5 . . ?
C2_1 C3_1 H3_1 123.0 . . ?
C4_1 C3_1 C2_1 114(3) . . ?
C4_1 C3_1 H3_1 123.0 . . ?
C3_1 C4_1 H4_1 119.1 . . ?
C5_1 C4_1 C3_1 122(3) . . ?
C5_1 C4_1 H4_1 119.1 . . ?
N1_1 C5_1 C6_1 105(2) . . ?
C4_1 C5_1 C6_1 132(3) . . ?
C4_1 C5_1 N1_1 123(3) . . ?
C12_1 N2_1 Pt1_1 110(2) . . ?
C16_1 N2_1 C12_1 116(3) . . ?
C16_1 N2_1 Pt1_1 133(2) . . ?
C11_1 Pt1_1 N1_1 78.6(12) . . ?
C11_1 Pt1_1 N2_1 86.6(13) . . ?
C11_1 Pt1_1 Cl1_1 174.8(10) . . ?
N1_1 Pt1_1 N2_1 165.2(10) . . ?
N1_1 Pt1_1 Cl1_1 97.5(8) . . ?
N2_1 Pt1_1 Cl1_1 97.3(8) . . ?
H1A_2 C1_2 H1B_2 109.5 . . ?
H1A_2 C1_2 H1C_2 109.5 . . ?
H1B_2 C1_2 H1C_2 109.5 . . ?
C22_2 C1_2 H1A_2 109.5 . . ?
C22_2 C1_2 H1B_2 109.5 . . ?
C22_2 C1_2 H1C_2 109.5 . . ?
H2A_2 C2_2 H2B_2 109.5 . . ?
H2A_2 C2_2 H2C_2 109.5 . . ?
H2B_2 C2_2 H2C_2 109.5 . . ?
C22_2 C2_2 H2A_2 109.5 . . ?
C22_2 C2_2 H2B_2 109.5 . . ?
C22_2 C2_2 H2C_2 109.5 . . ?
C4_2 C3_2 H3_2 118.3 . . ?
C4_2 C3_2 C9_2 123(4) . . ?
C9_2 C3_2 H3_2 118.3 . . ?
C3_2 C4_2 H4_2 120.8 . . ?
C3_2 C4_2 C5_2 118(3) . . ?
C5_2 C4_2 H4_2 120.8 . . ?
C4_2 C5_2 H5_2 119.3 . . ?
N3_2 C5_2 C4_2 121(3) . . ?
N3_2 C5_2 H5_2 119.3 . . ?
C19_2 C6_2 H6_2 120.2 . . ?
C19_2 C6_2 N2_2 120(3) . . ?
N2_2 C6_2 H6_2 120.2 . . ?
C10_2 C7_2 H7_2 118.3 . . ?
C10_2 C7_2 C12_2 123(3) . . ?
C12_2 C7_2 H7_2 118.3 . . ?
C15_2 C8_2 H8_2 122.8 . . ?
C15_2 C8_2 C17_2 114(3) . . ?
C17_2 C8_2 H8_2 122.8 . . ?
C3_2 C9_2 H9_2 120.4 . . ?
C3_2 C9_2 C16_2 119(3) . . ?
C16_2 C9_2 H9_2 120.4 . . ?
C7_2 C10_2 H10_2 120.2 . . ?
C7_2 C10_2 C18_2 120(3) . . ?
C18_2 C10_2 H10_2 120.2 . . ?
H11A_2 C11_2 H11B_2 108.1 . . ?
C17_2 C11_2 H11A_2 109.5 . . ?
C17_2 C11_2 H11B_2 109.5 . . ?
C20_2 C11_2 H11A_2 109.5 . . ?
C20_2 C11_2 H11B_2 109.5 . . ?
C20_2 C11_2 C17_2 111(2) . . ?
F1_2 C12_2 C7_2 108(2) . . ?
C14_2 C12_2 F1_2 134(3) . . ?
C14_2 C12_2 C7_2 117(3) . . ?
C14_2 C13_2 C18_2 124(3) . . ?
C14_2 C13_2 Pt1_2 119(2) . . ?
C18_2 C13_2 Pt1_2 117(3) . . ?
C12_2 C14_2 C13_2 123(3) . . ?
C12_2 C14_2 C16_2 126(4) . . ?
C13_2 C14_2 C16_2 111(3) . . ?
C8_2 C15_2 C18_2 121(3) . . ?
C8_2 C15_2 N2_2 129(4) . . ?
N2_2 C15_2 C18_2 110(3) . . ?
C14_2 C16_2 C9_2 125(3) . . ?
N3_2 C16_2 C9_2 119(3) . . ?
N3_2 C16_2 C14_2 116(3) . . ?
C8_2 C17_2 C11_2 121(2) . . ?
C19_2 C17_2 C8_2 122(3) . . ?
C19_2 C17_2 C11_2 117(3) . . ?
C13_2 C18_2 C10_2 112(3) . . ?
C13_2 C18_2 C15_2 114(3) . . ?
C15_2 C18_2 C10_2 134(3) . . ?
C6_2 C19_2 C21_2 119(3) . . ?
C17_2 C19_2 C6_2 120(3) . . ?
C17_2 C19_2 C21_2 119(3) . . ?
C11_2 C20_2 H20_2 114.2 . . ?
C11_2 C20_2 C22_2 113(2) . . ?
C11_2 C20_2 C23_2 111(2) . . ?
C22_2 C20_2 H20_2 114.2 . . ?
C23_2 C20_2 H20_2 114.2 . . ?
C23_2 C20_2 C22_2 87(2) . . ?
C19_2 C21_2 H21_2 118.0 . . ?
C19_2 C21_2 C22_2 107(2) . . ?
C22_2 C21_2 H21_2 118.0 . . ?
C23_2 C21_2 C19_2 107(2) . . ?
C23_2 C21_2 H21_2 118.0 . . ?
C23_2 C21_2 C22_2 84(2) . . ?
C2_2 C22_2 C1_2 114(2) . . ?
C2_2 C22_2 C21_2 108(2) . . ?
C20_2 C22_2 C1_2 119(2) . . ?
C20_2 C22_2 C2_2 110(2) . . ?
C20_2 C22_2 C21_2 86(2) . . ?
C21_2 C22_2 C1_2 117(2) . . ?
C6_2 N2_2 Pt1_2 126(2) . . ?
C15_2 N2_2 C6_2 115(3) . . ?
C15_2 N2_2 Pt1_2 119(3) . . ?
C5_2 N3_2 C16_2 118(3) . . ?
C5_2 N3_2 Pt1_2 129(3) . . ?
C16_2 N3_2 Pt1_2 112.6(19) . . ?
C13_2 Pt1_2 N2_2 80.1(13) . . ?
C13_2 Pt1_2 N3_2 81.0(12) . . ?
C13_2 Pt1_2 Cl1_2 177.9(10) . . ?
N2_2 Pt1_2 N3_2 160.9(11) . . ?
N2_2 Pt1_2 Cl1_2 100.2(8) . . ?
N3_2 Pt1_2 Cl1_2 98.8(8) . . ?
C20_2 C23_2 C21_2 88(2) . . ?
C20_2 C23_2 H23A_2 113.9 . . ?
C20_2 C23_2 H23B_2 113.9 . . ?
C21_2 C23_2 H23A_2 113.9 . . ?
C21_2 C23_2 H23B_2 113.9 . . ?
H23A_2 C23_2 H23B_2 111.1 . . ?
H1A_3 C1_3 H1B_3 109.5 . . ?
H1A_3 C1_3 H1C_3 109.5 . . ?
H1B_3 C1_3 H1C_3 109.5 . . ?
C22_3 C1_3 H1A_3 109.5 . . ?
C22_3 C1_3 H1B_3 109.5 . . ?
C22_3 C1_3 H1C_3 109.5 . . ?
H2A_3 C2_3 H2B_3 109.5 . . ?
H2A_3 C2_3 H2C_3 109.5 . . ?
H2B_3 C2_3 H2C_3 109.5 . . ?
C22_3 C2_3 H2A_3 109.5 . . ?
C22_3 C2_3 H2B_3 109.5 . . ?
C22_3 C2_3 H2C_3 109.5 . . ?
C18_3 C7_3 H7_3 119.0 . . ?
N2_3 C7_3 H7_3 119.0 . . ?
N2_3 C7_3 C18_3 122(3) . . ?
C15_3 C6_3 H6_3 118.7 . . ?
C15_3 C6_3 C16_3 123(3) . . ?
C16_3 C6_3 H6_3 118.7 . . ?
C10_3 C9_3 H9_3 120.0 . . ?
C10_3 C9_3 C14_3 120.0 . . ?
C14_3 C9_3 H9_3 120.0 . . ?
C9_3 C10_3 C15_3 127.2(17) . . ?
C11_3 C10_3 C9_3 120.0 . . ?
C11_3 C10_3 C15_3 112.8(17) . . ?
C10_3 C11_3 C12_3 120.0 . . ?
C10_3 C11_3 Pt1_3 120.4(12) . . ?
C12_3 C11_3 Pt1_3 119.5(12) . . ?
C11_3 C12_3 C17_3 112(2) . . ?
C13_3 C12_3 C11_3 120.0 . . ?
C13_3 C12_3 C17_3 128(2) . . ?
F1_3 C13_3 C12_3 119.8(15) . . ?
F1_3 C13_3 C14_3 120.2(15) . . ?
C12_3 C13_3 C14_3 120.0 . . ?
C9_3 C14_3 H14_3 120.0 . . ?
C13_3 C14_3 C9_3 120.0 . . ?
C13_3 C14_3 H14_3 120.0 . . ?
C6_3 C15_3 C10_3 127(3) . . ?
C6_3 C15_3 N2_3 119(3) . . ?
C10_3 C15_3 N2_3 114(2) . . ?
C6_3 C16_3 C23_3 127(2) . . ?
C18_3 C16_3 C6_3 116(2) . . ?
C18_3 C16_3 C23_3 117(2) . . ?
C7_3 C18_3 C16_3 121(3) . . ?
C7_3 C18_3 C21_3 124(2) . . ?
C16_3 C18_3 C21_3 115(2) . . ?
C19_3 C20_3 H20_3 115.9 . . ?
C19_3 C20_3 C22_3 89(2) . . ?
C19_3 C20_3 C23_3 109(2) . . ?
C22_3 C20_3 H20_3 115.9 . . ?
C23_3 C20_3 H20_3 115.9 . . ?
C23_3 C20_3 C22_3 108(2) . . ?
C20_3 C19_3 H19A_3 113.4 . . ?
C20_3 C19_3 H19B_3 113.4 . . ?
C20_3 C19_3 C21_3 91(2) . . ?
H19A_3 C19_3 H19B_3 110.7 . . ?
C21_3 C19_3 H19A_3 113.4 . . ?
C21_3 C19_3 H19B_3 113.4 . . ?
C18_3 C21_3 H21_3 117.6 . . ?
C19_3 C21_3 C18_3 107(2) . . ?
C19_3 C21_3 H21_3 117.6 . . ?
C19_3 C21_3 C22_3 87(2) . . ?
C22_3 C21_3 C18_3 105(2) . . ?
C22_3 C21_3 H21_3 117.6 . . ?
C1_3 C22_3 C20_3 122(2) . . ?
C1_3 C22_3 C21_3 120(2) . . ?
C2_3 C22_3 C1_3 111(2) . . ?
C2_3 C22_3 C20_3 111(2) . . ?
C2_3 C22_3 C21_3 106(2) . . ?
C20_3 C22_3 C21_3 83.0(18) . . ?
C16_3 C23_3 H23A_3 109.1 . . ?
C16_3 C23_3 H23B_3 109.1 . . ?
C20_3 C23_3 C16_3 112(2) . . ?
C20_3 C23_3 H23A_3 109.1 . . ?
C20_3 C23_3 H23B_3 109.1 . . ?
H23A_3 C23_3 H23B_3 107.9 . . ?
C17_3 N1_3 C5_3 116(3) . . ?
C17_3 N1_3 Pt1_3 122.1(19) . . ?
C5_3 N1_3 Pt1_3 122(2) . . ?
N1_3 C17_3 C12_3 107(3) . . ?
N1_3 C17_3 C4_3 126(2) . . ?
C4_3 C17_3 C12_3 127(3) . . ?
C17_3 C4_3 H4_3 120.2 . . ?
C3_3 C4_3 C17_3 120(3) . . ?
C3_3 C4_3 H4_3 120.2 . . ?
C4_3 C3_3 H3_3 122.3 . . ?
C8_3 C3_3 C4_3 115(3) . . ?
C8_3 C3_3 H3_3 122.3 . . ?
C3_3 C8_3 H8_3 116.9 . . ?
C3_3 C8_3 C5_3 126(3) . . ?
C5_3 C8_3 H8_3 116.9 . . ?
N1_3 C5_3 C8_3 116(3) . . ?
N1_3 C5_3 H5_3 121.8 . . ?
C8_3 C5_3 H5_3 121.8 . . ?
C7_3 N2_3 C15_3 120(2) . . ?
C7_3 N2_3 Pt1_3 127.0(19) . . ?
C15_3 N2_3 Pt1_3 111.7(18) . . ?
C11_3 Pt1_3 N1_3 79.4(10) . . ?
C11_3 Pt1_3 N2_3 81.2(10) . . ?
C11_3 Pt1_3 Cl1_3 179.2(8) . . ?
N1_3 Pt1_3 N2_3 160.6(11) . . ?
N1_3 Pt1_3 Cl1_3 100.8(8) . . ?
N2_3 Pt1_3 Cl1_3 98.6(8) . . ?
H1A_4 C1_4 H1B_4 109.5 . . ?
H1A_4 C1_4 H1C_4 109.5 . . ?
H1B_4 C1_4 H1C_4 109.5 . . ?
C24_4 C1_4 H1A_4 109.5 . . ?
C24_4 C1_4 H1B_4 109.5 . . ?
C24_4 C1_4 H1C_4 109.5 . . ?
H2A_4 C2_4 H2B_4 109.5 . . ?
H2A_4 C2_4 H2C_4 109.5 . . ?
H2B_4 C2_4 H2C_4 109.5 . . ?
C24_4 C2_4 H2A_4 109.5 . . ?
C24_4 C2_4 H2B_4 109.5 . . ?
C24_4 C2_4 H2C_4 109.5 . . ?
C24_4 C25_4 H25_4 115.0 . . ?
C11_4 C25_4 H25_4 115.0 . . ?
C11_4 C25_4 C24_4 115(2) . . ?
C23_4 C25_4 H25_4 115.0 . . ?
C23_4 C25_4 C24_4 88(2) . . ?
C23_4 C25_4 C11_4 105(2) . . ?
C1_4 C24_4 C25_4 119(2) . . ?
C1_4 C24_4 C22_4 116(2) . . ?
C2_4 C24_4 C1_4 108(2) . . ?
C2_4 C24_4 C25_4 114(2) . . ?
C2_4 C24_4 C22_4 116(2) . . ?
C25_4 C24_4 C22_4 82.1(19) . . ?
C4_4 C3_4 H3_4 123.3 . . ?
C4_4 C3_4 C5_4 113(3) . . ?
C5_4 C3_4 H3_4 123.3 . . ?
C3_4 C4_4 H4_4 115.9 . . ?
N1_4 C4_4 C3_4 128(4) . . ?
N1_4 C4_4 H4_4 115.9 . . ?
C3_4 C5_4 H5_4 118.8 . . ?
C9_4 C5_4 C3_4 122(3) . . ?
C9_4 C5_4 H5_4 118.8 . . ?
C10_4 C7_4 H7_4 118.2 . . ?
C10_4 C7_4 C12_4 124(3) . . ?
C12_4 C7_4 H7_4 118.2 . . ?
C13_4 C6_4 C12_4 111(2) . . ?
C14_4 C6_4 C12_4 131(3) . . ?
C14_4 C6_4 C13_4 118(3) . . ?
C5_4 C9_4 H9_4 120.5 . . ?
C14_4 C9_4 C5_4 119(3) . . ?
C14_4 C9_4 H9_4 120.5 . . ?
C7_4 C10_4 H10_4 121.2 . . ?
C7_4 C10_4 C20_4 118(2) . . ?
C20_4 C10_4 H10_4 121.2 . . ?
C25_4 C11_4 H11A_4 109.6 . . ?
C25_4 C11_4 H11B_4 109.6 . . ?
H11A_4 C11_4 H11B_4 108.1 . . ?
C17_4 C11_4 C25_4 110(2) . . ?
C17_4 C11_4 H11A_4 109.6 . . ?
C17_4 C11_4 H11B_4 109.6 . . ?
F1_4 C12_4 C7_4 119(2) . . ?
F1_4 C12_4 C6_4 119(2) . . ?
C7_4 C12_4 C6_4 122(2) . . ?
C6_4 C13_4 Pt1_4 114.8(19) . . ?
C20_4 C13_4 C6_4 127(2) . . ?
C20_4 C13_4 Pt1_4 118(2) . . ?
C6_4 C14_4 N1_4 114(3) . . ?
C9_4 C14_4 C6_4 127(3) . . ?
C9_4 C14_4 N1_4 118(3) . . ?
C15_4 N2_4 C19_4 120.0 . . ?
C15_4 N2_4 Pt1_4 116.1(10) . . ?
C19_4 N2_4 Pt1_4 123.8(10) . . ?
N2_4 C15_4 C20_4 111.0(15) . . ?
C16_4 C15_4 N2_4 120.0 . . ?
C16_4 C15_4 C20_4 129.0(15) . . ?
C15_4 C16_4 H16_4 120.0 . . ?
C15_4 C16_4 C17_4 120.0 . . ?
C17_4 C16_4 H16_4 120.0 . . ?
C16_4 C17_4 C11_4 120.2(16) . . ?
C18_4 C17_4 C11_4 119.8(16) . . ?
C18_4 C17_4 C16_4 120.0 . . ?
C17_4 C18_4 C19_4 120.0 . . ?
C22_4 C18_4 C17_4 115.9(16) . . ?
C22_4 C18_4 C19_4 124.1(16) . . ?
N2_4 C19_4 H19_4 120.0 . . ?
C18_4 C19_4 N2_4 120.0 . . ?
C18_4 C19_4 H19_4 120.0 . . ?
C10_4 C20_4 C15_4 127(2) . . ?
C13_4 C20_4 C10_4 119.4(19) . . ?
C13_4 C20_4 C15_4 114(2) . . ?
C24_4 C22_4 H22_4 115.0 . . ?
C18_4 C22_4 C24_4 113(2) . . ?
C18_4 C22_4 H22_4 115.0 . . ?
C18_4 C22_4 C23_4 110(2) . . ?
C23_4 C22_4 C24_4 84.5(19) . . ?
C23_4 C22_4 H22_4 115.0 . . ?
C25_4 C23_4 C22_4 87.4(19) . . ?
C25_4 C23_4 H23A_4 114.1 . . ?
C25_4 C23_4 H23B_4 114.1 . . ?
C22_4 C23_4 H23A_4 114.1 . . ?
C22_4 C23_4 H23B_4 114.1 . . ?
H23A_4 C23_4 H23B_4 111.3 . . ?
C4_4 N1_4 C14_4 119(3) . . ?
C4_4 N1_4 Pt1_4 131(3) . . ?
C14_4 N1_4 Pt1_4 110.6(19) . . ?
C13_4 Pt1_4 N2_4 80.9(10) . . ?
C13_4 Pt1_4 N1_4 81.9(11) . . ?
C13_4 Pt1_4 Cl1_4 176.1(9) . . ?
N2_4 Pt1_4 N1_4 162.6(8) . . ?
N2_4 Pt1_4 Cl1_4 98.2(6) . . ?
N1_4 Pt1_4 Cl1_4 99.1(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F1_1 C7_1 C8_1 C9_1 169(3) . . . . ?
C6_1 C7_1 C8_1 C9_1 1(4) . . . . ?
C7_1 C6_1 C11_1 C10_1 -5(5) . . . . ?
C7_1 C6_1 C11_1 Pt1_1 -178(2) . . . . ?
C7_1 C6_1 C5_1 N1_1 179(3) . . . . ?
C7_1 C6_1 C5_1 C4_1 1(6) . . . . ?
C7_1 C8_1 C9_1 C10_1 1(4) . . . . ?
C8_1 C9_1 C10_1 C11_1 -5(4) . . . . ?
C8_1 C9_1 C10_1 C12_1 -180(2) . . . . ?
C9_1 C10_1 C11_1 C6_1 7(6) . . . . ?
C9_1 C10_1 C11_1 Pt1_1 -179(3) . . . . ?
C9_1 C10_1 C12_1 C13_1 -5(5) . . . . ?
C9_1 C10_1 C12_1 N2_1 178(3) . . . . ?
C10_1 C12_1 C13_1 C14_1 -177(3) . . . . ?
C10_1 C12_1 N2_1 C16_1 -180(3) . . . . ?
C10_1 C12_1 N2_1 Pt1_1 0(3) . . . . ?
C11_1 C6_1 C7_1 F1_1 -169(3) . . . . ?
C11_1 C6_1 C7_1 C8_1 1(4) . . . . ?
C11_1 C6_1 C5_1 N1_1 -6(4) . . . . ?
C11_1 C6_1 C5_1 C4_1 177(4) . . . . ?
C11_1 C10_1 C12_1 C13_1 180(3) . . . . ?
C11_1 C10_1 C12_1 N2_1 3(4) . . . . ?
C12_1 C10_1 C11_1 C6_1 -177(3) . . . . ?
C12_1 C10_1 C11_1 Pt1_1 -4(4) . . . . ?
C12_1 C13_1 C14_1 C15_1 -4(4) . . . . ?
C12_1 C13_1 C14_1 C23_1 -180(3) . . . . ?
C13_1 C12_1 N2_1 C16_1 3(4) . . . . ?
C13_1 C12_1 N2_1 Pt1_1 -178(2) . . . . ?
C13_1 C14_1 C15_1 C16_1 5(3) . . . . ?
C13_1 C14_1 C15_1 C17_1 -178(2) . . . . ?
C13_1 C14_1 C23_1 C22_1 176(2) . . . . ?
C14_1 C15_1 C16_1 N2_1 -3(5) . . . . ?
C14_1 C15_1 C17_1 C18_1 -44(3) . . . . ?
C14_1 C15_1 C17_1 C21_1 47(3) . . . . ?
C15_1 C14_1 C23_1 C22_1 0(3) . . . . ?
C15_1 C16_1 N2_1 C12_1 -1(5) . . . . ?
C15_1 C16_1 N2_1 Pt1_1 180(2) . . . . ?
C15_1 C17_1 C18_1 C19_1 -43(3) . . . . ?
C15_1 C17_1 C18_1 C20_1 -170(2) . . . . ?
C15_1 C17_1 C18_1 C22_1 76(2) . . . . ?
C15_1 C17_1 C21_1 C22_1 -79(2) . . . . ?
C16_1 C15_1 C17_1 C18_1 132(3) . . . . ?
C16_1 C15_1 C17_1 C21_1 -137(3) . . . . ?
C17_1 C15_1 C16_1 N2_1 -179(3) . . . . ?
C17_1 C18_1 C22_1 C21_1 30.7(19) . . . . ?
C17_1 C18_1 C22_1 C23_1 -79(2) . . . . ?
C17_1 C21_1 C22_1 C18_1 -32(2) . . . . ?
C17_1 C21_1 C22_1 C23_1 79(2) . . . . ?
C18_1 C17_1 C21_1 C22_1 31.4(19) . . . . ?
C18_1 C22_1 C23_1 C14_1 49(3) . . . . ?
C19_1 C18_1 C22_1 C21_1 149(3) . . . . ?
C19_1 C18_1 C22_1 C23_1 39(3) . . . . ?
C20_1 C18_1 C22_1 C21_1 -83(2) . . . . ?
C20_1 C18_1 C22_1 C23_1 167(2) . . . . ?
C21_1 C17_1 C18_1 C19_1 -150(3) . . . . ?
C21_1 C17_1 C18_1 C20_1 83(2) . . . . ?
C21_1 C17_1 C18_1 C22_1 -30.1(19) . . . . ?
C21_1 C22_1 C23_1 C14_1 -45(3) . . . . ?
C23_1 C14_1 C15_1 C16_1 -178(2) . . . . ?
C23_1 C14_1 C15_1 C17_1 -2(4) . . . . ?
N1_1 C1_1 C2_1 C3_1 -7(6) . . . . ?
C1_1 N1_1 C5_1 C6_1 -178(3) . . . . ?
C1_1 N1_1 C5_1 C4_1 -1(5) . . . . ?
C1_1 C2_1 C3_1 C4_1 9(5) . . . . ?
C2_1 C3_1 C4_1 C5_1 -7(5) . . . . ?
C3_1 C4_1 C5_1 C6_1 180(3) . . . . ?
C3_1 C4_1 C5_1 N1_1 3(6) . . . . ?
C5_1 C6_1 C7_1 F1_1 7(5) . . . . ?
C5_1 C6_1 C7_1 C8_1 177(3) . . . . ?
C5_1 C6_1 C11_1 C10_1 179(3) . . . . ?
C5_1 C6_1 C11_1 Pt1_1 6(4) . . . . ?
C5_1 N1_1 C1_1 C2_1 3(5) . . . . ?
N2_1 C12_1 C13_1 C14_1 -1(4) . . . . ?
Pt1_1 N1_1 C1_1 C2_1 -179(3) . . . . ?
Pt1_1 N1_1 C5_1 C6_1 4(3) . . . . ?
Pt1_1 N1_1 C5_1 C4_1 -179(3) . . . . ?
F1_2 C12_2 C14_2 C13_2 -172(3) . . . . ?
F1_2 C12_2 C14_2 C16_2 12(6) . . . . ?
C3_2 C4_2 C5_2 N3_2 -2(5) . . . . ?
C3_2 C9_2 C16_2 C14_2 -176(3) . . . . ?
C3_2 C9_2 C16_2 N3_2 -1(5) . . . . ?
C4_2 C3_2 C9_2 C16_2 -3(5) . . . . ?
C4_2 C5_2 N3_2 C16_2 -2(5) . . . . ?
C4_2 C5_2 N3_2 Pt1_2 -177(2) . . . . ?
C6_2 C19_2 C21_2 C22_2 141(3) . . . . ?
C6_2 C19_2 C21_2 C23_2 -131(3) . . . . ?
C7_2 C10_2 C18_2 C13_2 0(4) . . . . ?
C7_2 C10_2 C18_2 C15_2 -175(3) . . . . ?
C7_2 C12_2 C14_2 C13_2 -7(5) . . . . ?
C7_2 C12_2 C14_2 C16_2 178(3) . . . . ?
C8_2 C15_2 C18_2 C10_2 3(6) . . . . ?
C8_2 C15_2 C18_2 C13_2 -172(3) . . . . ?
C8_2 C15_2 N2_2 C6_2 1(5) . . . . ?
C8_2 C15_2 N2_2 Pt1_2 172(3) . . . . ?
C8_2 C17_2 C19_2 C6_2 -3(4) . . . . ?
C8_2 C17_2 C19_2 C21_2 -173(2) . . . . ?
C9_2 C3_2 C4_2 C5_2 5(5) . . . . ?
C9_2 C16_2 N3_2 C5_2 3(4) . . . . ?
C9_2 C16_2 N3_2 Pt1_2 179(2) . . . . ?
C10_2 C7_2 C12_2 F1_2 177(3) . . . . ?
C10_2 C7_2 C12_2 C14_2 8(4) . . . . ?
C11_2 C17_2 C19_2 C6_2 176(2) . . . . ?
C11_2 C17_2 C19_2 C21_2 6(4) . . . . ?
C11_2 C20_2 C22_2 C1_2 36(3) . . . . ?
C11_2 C20_2 C22_2 C2_2 170(2) . . . . ?
C11_2 C20_2 C22_2 C21_2 -83(2) . . . . ?
C11_2 C20_2 C23_2 C21_2 84(2) . . . . ?
C12_2 C7_2 C10_2 C18_2 -4(4) . . . . ?
C12_2 C14_2 C16_2 C9_2 -6(5) . . . . ?
C12_2 C14_2 C16_2 N3_2 179(3) . . . . ?
C13_2 C14_2 C16_2 C9_2 178(3) . . . . ?
C13_2 C14_2 C16_2 N3_2 3(4) . . . . ?
C14_2 C13_2 C18_2 C10_2 1(5) . . . . ?
C14_2 C13_2 C18_2 C15_2 177(3) . . . . ?
C14_2 C16_2 N3_2 C5_2 179(3) . . . . ?
C14_2 C16_2 N3_2 Pt1_2 -6(3) . . . . ?
C15_2 C8_2 C17_2 C11_2 -173(3) . . . . ?
C15_2 C8_2 C17_2 C19_2 6(4) . . . . ?
C17_2 C8_2 C15_2 C18_2 174(3) . . . . ?
C17_2 C8_2 C15_2 N2_2 -5(5) . . . . ?
C17_2 C11_2 C20_2 C22_2 50(3) . . . . ?
C17_2 C11_2 C20_2 C23_2 -46(3) . . . . ?
C17_2 C19_2 C21_2 C22_2 -49(3) . . . . ?
C17_2 C19_2 C21_2 C23_2 40(3) . . . . ?
C18_2 C13_2 C14_2 C12_2 3(6) . . . . ?
C18_2 C13_2 C14_2 C16_2 179(3) . . . . ?
C18_2 C15_2 N2_2 C6_2 -178(3) . . . . ?
C18_2 C15_2 N2_2 Pt1_2 -7(4) . . . . ?
C19_2 C6_2 N2_2 C15_2 2(4) . . . . ?
C19_2 C6_2 N2_2 Pt1_2 -169(2) . . . . ?
C19_2 C21_2 C22_2 C1_2 -43(3) . . . . ?
C19_2 C21_2 C22_2 C2_2 -173(2) . . . . ?
C19_2 C21_2 C22_2 C20_2 77(2) . . . . ?
C19_2 C21_2 C23_2 C20_2 -77(2) . . . . ?
C20_2 C11_2 C17_2 C8_2 175(2) . . . . ?
C20_2 C11_2 C17_2 C19_2 -4(3) . . . . ?
C22_2 C20_2 C23_2 C21_2 -30(2) . . . . ?
C22_2 C21_2 C23_2 C20_2 29(2) . . . . ?
N2_2 C6_2 C19_2 C17_2 -1(4) . . . . ?
N2_2 C6_2 C19_2 C21_2 169(2) . . . . ?
N2_2 C15_2 C18_2 C10_2 -177(3) . . . . ?
N2_2 C15_2 C18_2 C13_2 8(4) . . . . ?
Pt1_2 C13_2 C14_2 C12_2 -175(3) . . . . ?
Pt1_2 C13_2 C14_2 C16_2 2(4) . . . . ?
Pt1_2 C13_2 C18_2 C10_2 179(2) . . . . ?
Pt1_2 C13_2 C18_2 C15_2 -5(4) . . . . ?
C23_2 C20_2 C22_2 C1_2 147(3) . . . . ?
C23_2 C20_2 C22_2 C2_2 -79(3) . . . . ?
C23_2 C20_2 C22_2 C21_2 29(2) . . . . ?
C23_2 C21_2 C22_2 C1_2 -149(2) . . . . ?
C23_2 C21_2 C22_2 C2_2 81(2) . . . . ?
C23_2 C21_2 C22_2 C20_2 -29(2) . . . . ?
F1_3 C13_3 C14_3 C9_3 178(2) . . . . ?
C7_3 C18_3 C21_3 C19_3 -133(3) . . . . ?
C7_3 C18_3 C21_3 C22_3 136(3) . . . . ?
C6_3 C15_3 N2_3 C7_3 4(3) . . . . ?
C6_3 C15_3 N2_3 Pt1_3 171(2) . . . . ?
C6_3 C16_3 C18_3 C7_3 -2(4) . . . . ?
C6_3 C16_3 C18_3 C21_3 -176(2) . . . . ?
C6_3 C16_3 C23_3 C20_3 177(2) . . . . ?
C9_3 C10_3 C11_3 C12_3 0.0 . . . . ?
C9_3 C10_3 C11_3 Pt1_3 176.4(16) . . . . ?
C9_3 C10_3 C15_3 C6_3 12(4) . . . . ?
C9_3 C10_3 C15_3 N2_3 -175.8(16) . . . . ?
C10_3 C9_3 C14_3 C13_3 0.0 . . . . ?
C10_3 C11_3 C12_3 C13_3 0.0 . . . . ?
C10_3 C11_3 C12_3 C17_3 -178(2) . . . . ?
C10_3 C11_3 Pt1_3 N1_3 -180.0(15) . . . . ?
C10_3 C11_3 Pt1_3 N2_3 1.1(13) . . . . ?
C10_3 C15_3 N2_3 C7_3 -169(2) . . . . ?
C10_3 C15_3 N2_3 Pt1_3 -3(3) . . . . ?
C11_3 C10_3 C15_3 C6_3 -169(2) . . . . ?
C11_3 C10_3 C15_3 N2_3 3(3) . . . . ?
C11_3 C12_3 C13_3 F1_3 -178(2) . . . . ?
C11_3 C12_3 C13_3 C14_3 0.0 . . . . ?
C11_3 C12_3 C17_3 N1_3 -5(3) . . . . ?
C11_3 C12_3 C17_3 C4_3 -179(3) . . . . ?
C12_3 C11_3 Pt1_3 N1_3 -3.5(12) . . . . ?
C12_3 C11_3 Pt1_3 N2_3 177.5(13) . . . . ?
C12_3 C13_3 C14_3 C9_3 0.0 . . . . ?
C12_3 C17_3 C4_3 C3_3 -177(3) . . . . ?
C13_3 C12_3 C17_3 N1_3 177.7(19) . . . . ?
C13_3 C12_3 C17_3 C4_3 3(5) . . . . ?
C14_3 C9_3 C10_3 C11_3 0.0 . . . . ?
C14_3 C9_3 C10_3 C15_3 179(2) . . . . ?
C15_3 C6_3 C16_3 C18_3 3(4) . . . . ?
C15_3 C6_3 C16_3 C23_3 -174(2) . . . . ?
C15_3 C10_3 C11_3 C12_3 -179(2) . . . . ?
C15_3 C10_3 C11_3 Pt1_3 -3(2) . . . . ?
C16_3 C6_3 C15_3 C10_3 168(2) . . . . ?
C16_3 C6_3 C15_3 N2_3 -4(4) . . . . ?
C16_3 C18_3 C21_3 C19_3 41(3) . . . . ?
C16_3 C18_3 C21_3 C22_3 -50(3) . . . . ?
C18_3 C7_3 N2_3 C15_3 -3(4) . . . . ?
C18_3 C7_3 N2_3 Pt1_3 -167(2) . . . . ?
C18_3 C16_3 C23_3 C20_3 -1(3) . . . . ?
C18_3 C21_3 C22_3 C1_3 -37(3) . . . . ?
C18_3 C21_3 C22_3 C2_3 -164(2) . . . . ?
C18_3 C21_3 C22_3 C20_3 85(2) . . . . ?
C20_3 C19_3 C21_3 C18_3 -81(2) . . . . ?
C20_3 C19_3 C21_3 C22_3 24(2) . . . . ?
C19_3 C20_3 C22_3 C1_3 143(3) . . . . ?
C19_3 C20_3 C22_3 C2_3 -82(3) . . . . ?
C19_3 C20_3 C22_3 C21_3 23(2) . . . . ?
C19_3 C20_3 C23_3 C16_3 -46(3) . . . . ?
C19_3 C21_3 C22_3 C1_3 -145(3) . . . . ?
C19_3 C21_3 C22_3 C2_3 88(2) . . . . ?
C19_3 C21_3 C22_3 C20_3 -22(2) . . . . ?
C22_3 C20_3 C19_3 C21_3 -24(2) . . . . ?
C22_3 C20_3 C23_3 C16_3 49(3) . . . . ?
C23_3 C16_3 C18_3 C7_3 176(2) . . . . ?
C23_3 C16_3 C18_3 C21_3 2(3) . . . . ?
C23_3 C20_3 C19_3 C21_3 85(2) . . . . ?
C23_3 C20_3 C22_3 C1_3 34(3) . . . . ?
C23_3 C20_3 C22_3 C2_3 168(2) . . . . ?
C23_3 C20_3 C22_3 C21_3 -87(2) . . . . ?
N1_3 C17_3 C4_3 C3_3 10(5) . . . . ?
C17_3 C12_3 C13_3 F1_3 -1(3) . . . . ?
C17_3 C12_3 C13_3 C14_3 178(3) . . . . ?
C17_3 N1_3 C5_3 C8_3 -1(4) . . . . ?
C17_3 C4_3 C3_3 C8_3 -5(4) . . . . ?
C4_3 C3_3 C8_3 C5_3 -1(4) . . . . ?
C3_3 C8_3 C5_3 N1_3 5(4) . . . . ?
C5_3 N1_3 C17_3 C12_3 179(3) . . . . ?
C5_3 N1_3 C17_3 C4_3 -6(5) . . . . ?
N2_3 C7_3 C18_3 C16_3 2(4) . . . . ?
N2_3 C7_3 C18_3 C21_3 175(2) . . . . ?
Pt1_3 C11_3 C12_3 C13_3 -176.5(16) . . . . ?
Pt1_3 C11_3 C12_3 C17_3 6(2) . . . . ?
Pt1_3 N1_3 C17_3 C12_3 2(4) . . . . ?
Pt1_3 N1_3 C17_3 C4_3 176(3) . . . . ?
Pt1_3 N1_3 C5_3 C8_3 177(2) . . . . ?
C1_4 C24_4 C22_4 C18_4 -40(3) . . . . ?
C1_4 C24_4 C22_4 C23_4 -149(3) . . . . ?
C2_4 C24_4 C22_4 C18_4 -168(2) . . . . ?
C2_4 C24_4 C22_4 C23_4 83(3) . . . . ?
C25_4 C24_4 C22_4 C18_4 79(2) . . . . ?
C25_4 C24_4 C22_4 C23_4 -30.2(19) . . . . ?
C25_4 C11_4 C17_4 C16_4 -175.4(15) . . . . ?
C25_4 C11_4 C17_4 C18_4 6(3) . . . . ?
C24_4 C25_4 C11_4 C17_4 44(3) . . . . ?
C24_4 C25_4 C23_4 C22_4 -33(2) . . . . ?
C24_4 C22_4 C23_4 C25_4 31(2) . . . . ?
C3_4 C4_4 N1_4 C14_4 2(5) . . . . ?
C3_4 C4_4 N1_4 Pt1_4 -179(2) . . . . ?
C3_4 C5_4 C9_4 C14_4 -3(5) . . . . ?
C4_4 C3_4 C5_4 C9_4 2(4) . . . . ?
C5_4 C3_4 C4_4 N1_4 -2(5) . . . . ?
C5_4 C9_4 C14_4 C6_4 -180(3) . . . . ?
C5_4 C9_4 C14_4 N1_4 3(5) . . . . ?
C7_4 C10_4 C20_4 C13_4 1(3) . . . . ?
C7_4 C10_4 C20_4 C15_4 174(2) . . . . ?
C6_4 C13_4 C20_4 C10_4 0(4) . . . . ?
C6_4 C13_4 C20_4 C15_4 -174(2) . . . . ?
C6_4 C14_4 N1_4 C4_4 180(3) . . . . ?
C6_4 C14_4 N1_4 Pt1_4 1(4) . . . . ?
C9_4 C14_4 N1_4 C4_4 -3(5) . . . . ?
C9_4 C14_4 N1_4 Pt1_4 178(3) . . . . ?
C10_4 C7_4 C12_4 F1_4 178(3) . . . . ?
C10_4 C7_4 C12_4 C6_4 1(4) . . . . ?
C11_4 C25_4 C24_4 C1_4 40(3) . . . . ?
C11_4 C25_4 C24_4 C2_4 169(2) . . . . ?
C11_4 C25_4 C24_4 C22_4 -76(2) . . . . ?
C11_4 C25_4 C23_4 C22_4 82(2) . . . . ?
C11_4 C17_4 C18_4 C19_4 179.0(19) . . . . ?
C11_4 C17_4 C18_4 C22_4 -3(2) . . . . ?
C12_4 C7_4 C10_4 C20_4 -2(3) . . . . ?
C12_4 C6_4 C13_4 C20_4 0(3) . . . . ?
C12_4 C6_4 C13_4 Pt1_4 -178.7(18) . . . . ?
C12_4 C6_4 C14_4 C9_4 3(6) . . . . ?
C12_4 C6_4 C14_4 N1_4 -179(3) . . . . ?
C13_4 C6_4 C12_4 F1_4 -177(2) . . . . ?
C13_4 C6_4 C12_4 C7_4 0(3) . . . . ?
C13_4 C6_4 C14_4 C9_4 180(3) . . . . ?
C13_4 C6_4 C14_4 N1_4 -3(4) . . . . ?
C14_4 C6_4 C12_4 F1_4 0(4) . . . . ?
C14_4 C6_4 C12_4 C7_4 177(3) . . . . ?
C14_4 C6_4 C13_4 C20_4 -178(3) . . . . ?
C14_4 C6_4 C13_4 Pt1_4 4(3) . . . . ?
N2_4 C15_4 C16_4 C17_4 0.0 . . . . ?
N2_4 C15_4 C20_4 C10_4 -175(2) . . . . ?
N2_4 C15_4 C20_4 C13_4 -2(2) . . . . ?
C15_4 N2_4 C19_4 C18_4 0.0 . . . . ?
C15_4 C16_4 C17_4 C11_4 -178.9(19) . . . . ?
C15_4 C16_4 C17_4 C18_4 0.0 . . . . ?
C16_4 C15_4 C20_4 C10_4 3(3) . . . . ?
C16_4 C15_4 C20_4 C13_4 176.0(17) . . . . ?
C16_4 C17_4 C18_4 C19_4 0.0 . . . . ?
C16_4 C17_4 C18_4 C22_4 178.5(18) . . . . ?
C17_4 C18_4 C19_4 N2_4 0.0 . . . . ?
C17_4 C18_4 C22_4 C24_4 -48(2) . . . . ?
C17_4 C18_4 C22_4 C23_4 45(2) . . . . ?
C18_4 C22_4 C23_4 C25_4 -82(2) . . . . ?
C19_4 N2_4 C15_4 C16_4 0.0 . . . . ?
C19_4 N2_4 C15_4 C20_4 178.2(17) . . . . ?
C19_4 C18_4 C22_4 C24_4 130.8(18) . . . . ?
C19_4 C18_4 C22_4 C23_4 -136.6(18) . . . . ?
C20_4 C15_4 C16_4 C17_4 -178(2) . . . . ?
C22_4 C18_4 C19_4 N2_4 -178(2) . . . . ?
C23_4 C25_4 C24_4 C1_4 146(2) . . . . ?
C23_4 C25_4 C24_4 C2_4 -85(3) . . . . ?
C23_4 C25_4 C24_4 C22_4 30.5(19) . . . . ?
C23_4 C25_4 C11_4 C17_4 -51(3) . . . . ?
Pt1_4 C13_4 C20_4 C10_4 177.9(19) . . . . ?
Pt1_4 C13_4 C20_4 C15_4 4(3) . . . . ?
Pt1_4 N2_4 C15_4 C16_4 -179.0(13) . . . . ?
Pt1_4 N2_4 C15_4 C20_4 -0.8(15) . . . . ?
Pt1_4 N2_4 C19_4 C18_4 178.9(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.93(2)
2 0.07(2)

# start Validation Reply Form
_vrf_PLAT342_exp_1603_twin1_hklf4_sq 
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............     0.0404 Ang.  
RESPONSE: The crystal does not diffract well at high angles, which lead to this 
B level alert. 
;
# end Validation Reply Form
