# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

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

data_2_19srv176
_database_code_depnum_ccdc_archive 'CCDC 2063390'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2021-02-17 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
_audit_creation_date             2019-05-16
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H17 Cl F6 N2 Pt, C H Cl3'
_chemical_formula_sum            'C23 H18 Cl4 F6 N2 Pt'
_chemical_formula_weight         773.28
_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           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6801(7)
_cell_length_b                   10.9554(8)
_cell_length_c                   12.8666(10)
_cell_angle_alpha                68.534(3)
_cell_angle_beta                 84.144(3)
_cell_angle_gamma                78.223(3)
_cell_volume                     1242.56(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7715
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.68
_shelx_estimated_absorpt_T_max   0.970
_shelx_estimated_absorpt_T_min   0.710
_exptl_absorpt_coefficient_mu    6.138
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8673
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0646 before and 0.0405 after correction. The Ratio of minimum to maximum transmission is 0.8673. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.067
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27731
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.999
_diffrn_reflns_theta_min         2.031
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_measurement_specimen_support 'MiTeGen MicroMount'
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6038
_reflns_number_total             7266
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT v8.38A (Bruker AXS, 2016)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker AXS, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.042
_refine_diff_density_min         -0.949
_refine_diff_density_rms         0.169
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         7266
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0184P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0463
_refine_ls_wR_factor_ref         0.0492
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1S(H1S)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C12(H12), C14(H14), C15(H15), C18(H18), C20(H20), C21(H21)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.21823(2) 1.13717(2) 0.52979(2) 0.01133(4) Uani 1 1 d . . . . .
Cl1 Cl 0.22628(8) 1.31949(7) 0.58972(6) 0.01743(16) Uani 1 1 d . . . . .
F1 F -0.2669(2) 1.29195(18) 0.12299(16) 0.0278(5) Uani 1 1 d . . . . .
F2 F -0.1607(2) 1.45919(19) 0.05945(15) 0.0312(5) Uani 1 1 d . . . . .
F3 F -0.34148(19) 1.4625(2) 0.17099(16) 0.0304(5) Uani 1 1 d . . . . .
F4 F 0.7693(2) 0.71431(19) 0.86274(17) 0.0321(5) Uani 1 1 d . . . . .
F5 F 0.5971(2) 0.6137(2) 0.92156(19) 0.0550(7) Uani 1 1 d . . . . .
F6 F 0.7258(3) 0.5905(2) 0.7825(2) 0.0646(9) Uani 1 1 d . . . . .
N1 N 0.0652(3) 1.2252(2) 0.4146(2) 0.0136(5) Uani 1 1 d . . . . .
N2 N 0.3725(2) 0.9990(2) 0.62574(19) 0.0120(5) Uani 1 1 d . . . . .
C1 C 0.2271(3) 0.9980(3) 0.4728(2) 0.0123(6) Uani 1 1 d . . . . .
C2 C 0.1411(3) 1.0189(3) 0.3851(2) 0.0111(6) Uani 1 1 d . . . . .
C3 C 0.1588(3) 0.9244(3) 0.3345(2) 0.0142(6) Uani 1 1 d . . . . .
H3 H 0.099655 0.937511 0.275399 0.017 Uiso 1 1 calc R . . . .
C4 C 0.2640(3) 0.8085(3) 0.3701(2) 0.0130(6) Uani 1 1 d . . . . .
C5 C 0.3470(3) 0.7889(3) 0.4595(2) 0.0131(6) Uani 1 1 d . . . . .
H5 H 0.416661 0.710517 0.485220 0.016 Uiso 1 1 calc R . . . .
C6 C 0.3287(3) 0.8831(3) 0.5115(2) 0.0129(6) Uani 1 1 d . . . . .
C7 C 0.2837(3) 0.7120(3) 0.3066(2) 0.0142(6) Uani 1 1 d . . . . .
C8 C 0.3028(3) 0.7882(3) 0.1811(3) 0.0215(7) Uani 1 1 d . . . . .
H8A H 0.216443 0.852476 0.153171 0.032 Uiso 1 1 calc GR . . . .
H8B H 0.322251 0.725039 0.141364 0.032 Uiso 1 1 calc GR . . . .
H8C H 0.382094 0.835580 0.168495 0.032 Uiso 1 1 calc GR . . . .
C9 C 0.1523(3) 0.6477(3) 0.3270(3) 0.0205(7) Uani 1 1 d . . . . .
H9A H 0.146301 0.590300 0.405637 0.031 Uiso 1 1 calc GR . . . .
H9B H 0.158659 0.594204 0.279518 0.031 Uiso 1 1 calc GR . . . .
H9C H 0.067876 0.717543 0.308835 0.031 Uiso 1 1 calc GR . . . .
C10 C 0.4134(3) 0.6006(3) 0.3451(3) 0.0211(7) Uani 1 1 d . . . . .
H10A H 0.497288 0.640261 0.338761 0.032 Uiso 1 1 calc GR . . . .
H10B H 0.427133 0.545873 0.298029 0.032 Uiso 1 1 calc GR . . . .
H10C H 0.398232 0.544585 0.423096 0.032 Uiso 1 1 calc GR . . . .
C11 C 0.0470(3) 1.1493(3) 0.3543(2) 0.0129(6) Uani 1 1 d . . . . .
C12 C -0.0499(3) 1.1987(3) 0.2706(2) 0.0134(6) Uani 1 1 d . . . . .
H12 H -0.062693 1.145634 0.229490 0.016 Uiso 1 1 calc R . . . .
C13 C -0.1281(3) 1.3256(3) 0.2470(2) 0.0152(6) Uani 1 1 d . . . . .
C14 C -0.1112(3) 1.4006(3) 0.3099(3) 0.0180(7) Uani 1 1 d . . . . .
H14 H -0.166150 1.487071 0.296123 0.022 Uiso 1 1 calc R . . . .
C15 C -0.0142(3) 1.3479(3) 0.3922(2) 0.0164(7) Uani 1 1 d . . . . .
H15 H -0.002296 1.399431 0.434966 0.020 Uiso 1 1 calc R . . . .
C16 C -0.2250(3) 1.3848(3) 0.1503(3) 0.0189(7) Uani 1 1 d . . . . .
C17 C 0.4077(3) 0.8831(3) 0.6037(2) 0.0125(6) Uani 1 1 d . . . . .
C18 C 0.5063(3) 0.7798(3) 0.6662(2) 0.0144(6) Uani 1 1 d . . . . .
H18 H 0.532307 0.700343 0.649588 0.017 Uiso 1 1 calc R . . . .
C19 C 0.5673(3) 0.7922(3) 0.7536(2) 0.0152(6) Uani 1 1 d . . . . .
C20 C 0.5344(3) 0.9107(3) 0.7739(2) 0.0165(7) Uani 1 1 d . . . . .
H20 H 0.577636 0.921544 0.832287 0.020 Uiso 1 1 calc R . . . .
C21 C 0.4374(3) 1.0126(3) 0.7072(2) 0.0142(6) Uani 1 1 d . . . . .
H21 H 0.415761 1.094991 0.719289 0.017 Uiso 1 1 calc R . . . .
C22 C 0.6648(3) 0.6768(3) 0.8301(3) 0.0214(7) Uani 1 1 d . . . . .
Cl2 Cl 0.14007(10) 0.02122(9) 0.89435(8) 0.0338(2) Uani 1 1 d . . . . .
Cl3 Cl 0.03248(10) 0.25976(10) 0.94638(8) 0.0349(2) Uani 1 1 d . . . . .
Cl4 Cl 0.33195(10) 0.17815(13) 0.91787(9) 0.0510(3) Uani 1 1 d . . . . .
C1S C 0.1644(4) 0.1825(4) 0.8751(3) 0.0268(8) Uani 1 1 d . . . . .
H1S H 0.158267 0.236597 0.793473 0.032 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.4069(7) . ?
Pt1 N1 2.034(2) . ?
Pt1 N2 2.033(2) . ?
Pt1 C1 1.903(3) . ?
F1 C16 1.335(3) . ?
F2 C16 1.334(4) . ?
F3 C16 1.334(3) . ?
F4 C22 1.324(4) . ?
F5 C22 1.313(4) . ?
F6 C22 1.319(4) . ?
N1 C11 1.373(4) . ?
N1 C15 1.349(4) . ?
N2 C17 1.370(4) . ?
N2 C21 1.342(4) . ?
C1 C2 1.394(4) . ?
C1 C6 1.391(4) . ?
C2 C3 1.387(4) . ?
C2 C11 1.468(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.414(4) . ?
C4 C5 1.396(4) . ?
C4 C7 1.530(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(4) . ?
C6 C17 1.475(4) . ?
C7 C8 1.535(4) . ?
C7 C9 1.531(4) . ?
C7 C10 1.540(4) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.380(4) . ?
C12 H12 0.9500 . ?
C12 C13 1.381(4) . ?
C13 C14 1.388(4) . ?
C13 C16 1.499(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.367(4) . ?
C15 H15 0.9500 . ?
C17 C18 1.374(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.383(4) . ?
C19 C20 1.385(4) . ?
C19 C22 1.500(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.378(4) . ?
C21 H21 0.9500 . ?
Cl2 C1S 1.753(3) . ?
Cl3 C1S 1.754(4) . ?
Cl4 C1S 1.752(3) . ?
C1S H1S 1.0000 . ?

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
N1 Pt1 Cl1 100.11(7) . . ?
N2 Pt1 Cl1 99.03(7) . . ?
N2 Pt1 N1 160.82(9) . . ?
C1 Pt1 Cl1 174.39(9) . . ?
C1 Pt1 N1 80.59(11) . . ?
C1 Pt1 N2 80.24(11) . . ?
C11 N1 Pt1 114.24(19) . . ?
C15 N1 Pt1 126.5(2) . . ?
C15 N1 C11 119.2(3) . . ?
C17 N2 Pt1 114.88(18) . . ?
C21 N2 Pt1 125.5(2) . . ?
C21 N2 C17 119.6(2) . . ?
C2 C1 Pt1 119.1(2) . . ?
C6 C1 Pt1 119.4(2) . . ?
C6 C1 C2 121.2(3) . . ?
C1 C2 C11 111.9(2) . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 C11 128.7(3) . . ?
C2 C3 H3 119.7 . . ?
C2 C3 C4 120.7(3) . . ?
C4 C3 H3 119.7 . . ?
C3 C4 C7 118.1(3) . . ?
C5 C4 C3 118.8(3) . . ?
C5 C4 C7 123.1(3) . . ?
C4 C5 H5 119.6 . . ?
C4 C5 C6 120.7(3) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 119.2(3) . . ?
C1 C6 C17 111.7(3) . . ?
C5 C6 C17 129.0(3) . . ?
C4 C7 C8 109.8(2) . . ?
C4 C7 C9 108.8(2) . . ?
C4 C7 C10 112.1(2) . . ?
C8 C7 C10 108.3(3) . . ?
C9 C7 C8 109.4(2) . . ?
C9 C7 C10 108.4(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C2 114.1(2) . . ?
N1 C11 C12 120.4(3) . . ?
C12 C11 C2 125.5(3) . . ?
C11 C12 H12 120.1 . . ?
C11 C12 C13 119.7(3) . . ?
C13 C12 H12 120.1 . . ?
C12 C13 C14 119.5(3) . . ?
C12 C13 C16 120.3(3) . . ?
C14 C13 C16 120.1(3) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 C13 118.9(3) . . ?
C15 C14 H14 120.6 . . ?
N1 C15 C14 122.3(3) . . ?
N1 C15 H15 118.9 . . ?
C14 C15 H15 118.9 . . ?
F1 C16 C13 112.5(3) . . ?
F2 C16 F1 106.7(3) . . ?
F2 C16 F3 107.4(2) . . ?
F2 C16 C13 110.8(2) . . ?
F3 C16 F1 106.9(3) . . ?
F3 C16 C13 112.3(3) . . ?
N2 C17 C6 113.5(2) . . ?
N2 C17 C18 120.4(3) . . ?
C18 C17 C6 126.1(3) . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.5(3) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C20 120.0(3) . . ?
C18 C19 C22 120.8(3) . . ?
C20 C19 C22 119.2(3) . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.3(3) . . ?
C21 C20 H20 120.9 . . ?
N2 C21 C20 122.1(3) . . ?
N2 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
F4 C22 C19 112.6(3) . . ?
F5 C22 F4 106.3(3) . . ?
F5 C22 F6 108.6(3) . . ?
F5 C22 C19 110.9(3) . . ?
F6 C22 F4 105.6(3) . . ?
F6 C22 C19 112.5(3) . . ?
Cl2 C1S Cl3 111.33(18) . . ?
Cl2 C1S H1S 108.1 . . ?
Cl3 C1S H1S 108.1 . . ?
Cl4 C1S Cl2 110.5(2) . . ?
Cl4 C1S Cl3 110.54(18) . . ?
Cl4 C1S H1S 108.1 . . ?

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
C1 C2 C11 N1 2.0(4) . . . . ?
C1 C2 C11 C12 179.8(3) . . . . ?
C1 C6 C17 N2 -4.7(4) . . . . ?
C1 C6 C17 C18 174.1(3) . . . . ?
C3 C2 C11 N1 -173.6(3) . . . . ?
C3 C2 C11 C12 4.3(5) . . . . ?
C3 C4 C7 C8 52.4(4) . . . . ?
C3 C4 C7 C9 -67.2(3) . . . . ?
C3 C4 C7 C10 172.9(3) . . . . ?
C5 C4 C7 C8 -126.1(3) . . . . ?
C5 C4 C7 C9 114.2(3) . . . . ?
C5 C4 C7 C10 -5.7(4) . . . . ?
C5 C6 C17 N2 172.9(3) . . . . ?
C5 C6 C17 C18 -8.4(5) . . . . ?
C12 C13 C16 F1 24.5(4) . . . . ?
C12 C13 C16 F2 -94.8(3) . . . . ?
C12 C13 C16 F3 145.1(3) . . . . ?
C14 C13 C16 F1 -158.7(3) . . . . ?
C14 C13 C16 F2 82.0(3) . . . . ?
C14 C13 C16 F3 -38.0(4) . . . . ?
C18 C19 C22 F4 144.0(3) . . . . ?
C18 C19 C22 F5 -97.0(4) . . . . ?
C18 C19 C22 F6 24.9(4) . . . . ?
C20 C19 C22 F4 -38.4(4) . . . . ?
C20 C19 C22 F5 80.5(4) . . . . ?
C20 C19 C22 F6 -157.6(3) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3_19srv246
_database_code_depnum_ccdc_archive 'CCDC 2164616'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
_audit_creation_date             2019-08-13
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.07.31 svn.r3643 for OlexSys, GUI svn.r5859)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H15 Cl N2 Pt'
_chemical_formula_sum            'C24 H15 Cl N2 Pt'
_chemical_formula_weight         561.91
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.453(2)
_cell_length_b                   15.333(2)
_cell_length_c                   7.9555(13)
_cell_angle_alpha                90
_cell_angle_beta                 105.168(5)
_cell_angle_gamma                90
_cell_volume                     1819.3(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    230
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   0.680
_shelx_estimated_absorpt_T_min   0.255
_exptl_absorpt_coefficient_mu    7.872
_exptl_absorpt_correction_T_max  0.8038
_exptl_absorpt_correction_T_min  0.3090
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.
wR2(int) was 0.1755 before and 0.0737 after correction.
The Ratio of minimum to maximum transmission is 0.3844.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    2.052
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1072
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 0.00 0.0050
0.00 -1.00 0.00 0.0260
-2.00 1.00 2.00 0.0970
2.00 -1.00 -1.00 0.0540
2.00 -1.00 0.00 0.0500
-1.00 0.00 0.00 0.0410
-2.00 -1.00 1.00 0.0740
1.00 0.00 1.00 0.1090

_exptl_crystal_size_max          0.239
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.053
_exptl_special_details           
;
 Data were collected in shutterless mode. Full sphere of reciprocal 
space was nominally covered by 3 runs of 170 and 1 run of 31 
narrow-frame ω-scans (scan width 1°, 10s exposure), every run at a 
different φ angle. Two runs of 358 φ-scans (scan width 1°, 1.5s 
exposure) were used for scaling overflowing intensities. Crystal to 
detector distance 3.52 cm.
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0349
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15605
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_min         2.657
_diffrn_ambient_temperature      230
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '3-circle area detector diffractometer'
_diffrn_measurement_device_type  'Bruker D8 venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2316
_reflns_number_total             2669
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v.2016.1-0 (Bruker, 2016)'
_computing_data_reduction        'SAINT v8.38A (Bruker, 2017)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2018/3 multi-CPU (Sheldrick, 2015a)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_refine_diff_density_max         0.622
_refine_diff_density_min         -0.689
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         2669
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0332
_refine_ls_R_factor_gt           0.0229
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0270P)²+0.2446P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0462
_refine_ls_wR_factor_ref         0.0489
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: H4(1)
3.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12), C13(H13)
;
_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
Pt Pt 0.500000 0.60878(2) 0.750000 0.03254(6) Uani 1 2 d S T P . .
Cl Cl 0.500000 0.76893(7) 0.750000 0.0577(3) Uani 1 2 d S T P . .
N1 N 0.38388(17) 0.58738(15) 0.5633(3) 0.0352(5) Uani 1 1 d . . . . .
C1 C 0.500000 0.4841(2) 0.750000 0.0297(7) Uani 1 2 d S T P . .
C2 C 0.42747(18) 0.44057(17) 0.6331(4) 0.0331(6) Uani 1 1 d . . . . .
C3 C 0.4308(2) 0.3486(2) 0.6336(5) 0.0575(9) Uani 1 1 d . . . . .
H3 H 0.386591 0.316977 0.555766 0.069 Uiso 1 1 calc R U . . .
C4 C 0.500000 0.3054(3) 0.750000 0.077(2) Uani 1 2 d S T P . .
H4 H 0.500001 0.244795 0.749998 0.093 Uiso 1 2 calc R U . . .
C5 C 0.36045(18) 0.50187(18) 0.5281(3) 0.0324(6) Uani 1 1 d . . . . .
C6 C 0.27634(18) 0.48137(19) 0.4048(4) 0.0362(6) Uani 1 1 d . . . . .
C7 C 0.2447(3) 0.3954(2) 0.3608(6) 0.0609(10) Uani 1 1 d . . . . .
H7 H 0.280084 0.348332 0.410921 0.073 Uiso 1 1 calc R U . . .
C8 C 0.1628(3) 0.3800(2) 0.2457(6) 0.0682(12) Uani 1 1 d . . . . .
H8 H 0.143703 0.322865 0.220275 0.082 Uiso 1 1 calc R U . . .
C9 C 0.1078(2) 0.4487(3) 0.1663(5) 0.0574(9) Uani 1 1 d . . . . .
H9 H 0.052781 0.437063 0.088010 0.069 Uiso 1 1 calc R U . . .
C10 C 0.1347(2) 0.5328(2) 0.2035(4) 0.0517(8) Uani 1 1 d . . . . .
H10 H 0.097583 0.578444 0.151790 0.062 Uiso 1 1 calc R U . . .
C11 C 0.22019(19) 0.5512(2) 0.3224(4) 0.0413(7) Uani 1 1 d . . . . .
C12 C 0.2496(2) 0.6378(2) 0.3612(5) 0.0498(8) Uani 1 1 d . . . . .
H12 H 0.214470 0.684125 0.306277 0.060 Uiso 1 1 calc R U . . .
C13 C 0.3294(2) 0.6534(2) 0.4792(4) 0.0453(7) Uani 1 1 d . . . . .
H13 H 0.347725 0.710879 0.503636 0.054 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
Pt Cl 2.4554(11) . ?
Pt N1 2.034(2) 2_656 ?
Pt N1 2.034(2) . ?
Pt C1 1.912(4) . ?
N1 C5 1.369(3) . ?
N1 C13 1.374(4) . ?
C1 C2 1.422(3) . ?
C1 C2 1.422(3) 2_656 ?
C2 C3 1.410(4) . ?
C2 C5 1.483(4) . ?
C3 C4 1.386(4) . ?
C5 C6 1.443(4) . ?
C6 C7 1.418(4) . ?
C6 C11 1.426(4) . ?
C7 C8 1.374(6) . ?
C8 C9 1.396(6) . ?
C9 C10 1.364(5) . ?
C10 C11 1.437(4) . ?
C11 C12 1.411(5) . ?
C12 C13 1.362(4) . ?

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
N1 Pt Cl 99.29(6) . . ?
N1 Pt Cl 99.29(6) 2_656 . ?
N1 Pt N1 161.43(13) 2_656 . ?
C1 Pt Cl 180.0 . . ?
C1 Pt N1 80.71(6) . 2_656 ?
C1 Pt N1 80.71(7) . . ?
C5 N1 Pt 116.05(19) . . ?
C5 N1 C13 120.7(3) . . ?
C13 N1 Pt 123.2(2) . . ?
C2 C1 Pt 117.99(17) . . ?
C2 C1 Pt 117.99(17) 2_656 . ?
C2 C1 C2 124.0(3) . 2_656 ?
C1 C2 C5 112.7(2) . . ?
C3 C2 C1 116.4(3) . . ?
C3 C2 C5 130.9(2) . . ?
C4 C3 C2 120.1(3) . . ?
C3 C4 C3 122.9(4) 2_656 . ?
N1 C5 C2 112.5(2) . . ?
N1 C5 C6 119.4(3) . . ?
C6 C5 C2 128.1(2) . . ?
C7 C6 C5 124.2(3) . . ?
C7 C6 C11 117.1(3) . . ?
C11 C6 C5 118.7(3) . . ?
C8 C7 C6 121.5(3) . . ?
C7 C8 C9 121.2(3) . . ?
C10 C9 C8 120.0(3) . . ?
C9 C10 C11 120.3(3) . . ?
C6 C11 C10 119.9(3) . . ?
C12 C11 C6 119.0(3) . . ?
C12 C11 C10 121.1(3) . . ?
C13 C12 C11 119.9(3) . . ?
C12 C13 N1 122.4(3) . . ?

####################################################################### 
# 
# 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_4_19srv279
_database_code_depnum_ccdc_archive 'CCDC 2164618'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
_audit_creation_date             2019-09-16
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H17 Cl N4 Pt'
_chemical_formula_sum            'C18 H17 Cl N4 Pt'
_chemical_formula_weight         519.90
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   6.8240(9)
_cell_length_b                   21.121(3)
_cell_length_c                   11.2367(14)
_cell_angle_alpha                90
_cell_angle_beta                 90.107(4)
_cell_angle_gamma                90
_cell_volume                     1619.5(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5192
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      26.83
_cell_measurement_theta_min      2.65
_shelx_estimated_absorpt_T_max   0.917
_shelx_estimated_absorpt_T_min   0.184
_exptl_absorpt_coefficient_mu    8.836
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;   
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1237 before and 0.0772 after correction. 
The Ratio of minimum to maximum transmission is 0.7164. 
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1113
_diffrn_reflns_av_unetI/netI     0.0905
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20830
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         2.053
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2698
_reflns_number_total             3545
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT v8.38A (Bruker AXS, 2016)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker AXS, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         2.076
_refine_diff_density_min         -2.907
_refine_diff_density_rms         0.290
_refine_ls_extinction_coef       0.0027(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3545
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0494
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0120P)²+15.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1016
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.583(2)
 0.417(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Restrained distances
 N2-C4 \\sim N2-C3
 with sigma of 0.002
4. Uiso/Uaniso restraints and constraints
Uanis(C6) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C8(H8), C10(H10), C16(H16), C17(H17), C18(H18)
5.b Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C14(H14A,H14B,H14C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.23319(9) 0.56928(2) 0.46573(4) 0.01828(15) Uani 1 1 d . . . . .
Cl1 Cl 0.2078(5) 0.67193(13) 0.5549(3) 0.0272(8) Uani 1 1 d . . . . .
N1 N 0.2219(19) 0.5938(4) 0.2936(8) 0.018(2) Uani 1 1 d . . . . .
N2 N 0.233(2) 0.5527(3) 0.0945(7) 0.025(3) Uani 1 1 d D . . . .
N3 N 0.250(2) 0.5151(4) 0.6133(8) 0.021(2) Uani 1 1 d . . . . .
N4 N 0.277(3) 0.4063(4) 0.6755(8) 0.021(3) Uani 1 1 d . . . . .
C1 C 0.210(2) 0.6528(5) 0.2496(11) 0.028(4) Uani 1 1 d . . . . .
H1 H 0.207884 0.687961 0.302425 0.033 Uiso 1 1 calc R . . . .
C2 C 0.199(2) 0.6629(6) 0.1276(11) 0.029(4) Uani 1 1 d . . . . .
H2 H 0.184868 0.704383 0.095983 0.034 Uiso 1 1 calc R . . . .
C3 C 0.211(2) 0.6112(5) 0.0545(10) 0.030(4) Uani 1 1 d D . . . .
H3 H 0.203192 0.617687 -0.029033 0.036 Uiso 1 1 calc R . . . .
C4 C 0.235(3) 0.5456(5) 0.2115(8) 0.020(4) Uani 1 1 d D . . . .
C5 C 0.248(4) 0.4838(5) 0.2709(9) 0.018(3) Uani 1 1 d . . . . .
C6 C 0.253(2) 0.4877(4) 0.3939(9) 0.014(2) Uani 1 1 d . U . . .
C7 C 0.2690(19) 0.4341(5) 0.4656(10) 0.018(3) Uani 1 1 d . . . . .
C8 C 0.281(2) 0.3748(5) 0.4131(9) 0.016(3) Uani 1 1 d . . . . .
H8 H 0.291681 0.338104 0.461550 0.019 Uiso 1 1 calc R . . . .
C9 C 0.277(2) 0.3688(5) 0.2867(9) 0.018(3) Uani 1 1 d . . . . .
C10 C 0.268(3) 0.4242(5) 0.2197(9) 0.019(2) Uani 1 1 d . . . . .
H10 H 0.274506 0.421136 0.135455 0.022 Uiso 1 1 calc R . . . .
C11 C 0.291(2) 0.3035(5) 0.2262(10) 0.021(3) Uani 1 1 d . . . . .
C12 C 0.477(2) 0.3013(8) 0.1485(15) 0.035(4) Uani 1 1 d . . . . .
H12A H 0.467950 0.333372 0.085707 0.053 Uiso 1 1 calc GR . . . .
H12B H 0.489684 0.259268 0.112347 0.053 Uiso 1 1 calc GR . . . .
H12C H 0.592645 0.309862 0.198081 0.053 Uiso 1 1 calc GR . . . .
C13 C 0.106(2) 0.2947(7) 0.1495(13) 0.024(3) Uani 1 1 d . . . . .
H13A H -0.010951 0.299425 0.199615 0.036 Uiso 1 1 calc GR . . . .
H13B H 0.106333 0.252294 0.113944 0.036 Uiso 1 1 calc GR . . . .
H13C H 0.103170 0.326619 0.086309 0.036 Uiso 1 1 calc GR . . . .
C14 C 0.304(2) 0.2491(6) 0.3168(10) 0.030(4) Uani 1 1 d . . . . .
H14A H 0.427636 0.252082 0.360912 0.044 Uiso 1 1 calc GR . . . .
H14B H 0.298477 0.208438 0.274732 0.044 Uiso 1 1 calc GR . . . .
H14C H 0.193924 0.251939 0.372421 0.044 Uiso 1 1 calc GR . . . .
C15 C 0.267(3) 0.4514(5) 0.5905(11) 0.022(3) Uani 1 1 d . . . . .
C16 C 0.270(2) 0.4268(5) 0.7889(9) 0.024(3) Uani 1 1 d . . . . .
H16 H 0.273251 0.396127 0.850706 0.029 Uiso 1 1 calc R . . . .
C17 C 0.257(4) 0.4901(5) 0.8206(10) 0.027(4) Uani 1 1 d . . . . .
H17 H 0.258519 0.503676 0.901222 0.032 Uiso 1 1 calc R . . . .
C18 C 0.243(3) 0.5319(5) 0.7271(10) 0.024(3) Uani 1 1 d . . . . .
H18 H 0.228292 0.575617 0.745146 0.028 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.395(3) . ?
Pt1 N1 2.003(9) . ?
Pt1 N3 2.017(9) . ?
Pt1 C6 1.908(9) . ?
N1 C1 1.345(14) . ?
N1 C4 1.376(12) . ?
N2 C3 1.323(9) . ?
N2 C4 1.323(9) . ?
N3 C15 1.376(13) . ?
N3 C18 1.329(13) . ?
N4 C15 1.351(14) . ?
N4 C16 1.347(13) . ?
C1 H1 0.9500 . ?
C1 C2 1.389(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.369(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.470(13) . ?
C5 C6 1.384(14) . ?
C5 C10 1.391(14) . ?
C6 C7 1.395(14) . ?
C7 C8 1.385(13) . ?
C7 C15 1.450(14) . ?
C8 H8 0.9500 . ?
C8 C9 1.426(14) . ?
C9 C10 1.394(14) . ?
C9 C11 1.540(14) . ?
C10 H10 0.9500 . ?
C11 C12 1.54(2) . ?
C11 C13 1.543(19) . ?
C11 C14 1.539(15) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 H16 0.9500 . ?
C16 C17 1.387(15) . ?
C17 H17 0.9500 . ?
C17 C18 1.375(15) . ?
C18 H18 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Cl1 99.6(2) . . ?
N1 Pt1 N3 160.4(3) . . ?
N3 Pt1 Cl1 100.0(2) . . ?
C6 Pt1 Cl1 179.7(3) . . ?
C6 Pt1 N1 80.0(4) . . ?
C6 Pt1 N3 80.3(4) . . ?
C1 N1 Pt1 126.6(8) . . ?
C1 N1 C4 116.3(9) . . ?
C4 N1 Pt1 117.1(6) . . ?
C4 N2 C3 116.4(9) . . ?
C15 N3 Pt1 114.0(7) . . ?
C18 N3 Pt1 129.7(8) . . ?
C18 N3 C15 116.4(10) . . ?
C16 N4 C15 116.1(10) . . ?
N1 C1 H1 119.7 . . ?
N1 C1 C2 120.6(11) . . ?
C2 C1 H1 119.7 . . ?
C1 C2 H2 121.1 . . ?
C3 C2 C1 117.8(11) . . ?
C3 C2 H2 121.1 . . ?
N2 C3 C2 123.2(10) . . ?
N2 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
N1 C4 C5 110.8(8) . . ?
N2 C4 N1 125.6(9) . . ?
N2 C4 C5 123.6(9) . . ?
C6 C5 C4 113.7(9) . . ?
C6 C5 C10 117.7(9) . . ?
C10 C5 C4 128.5(10) . . ?
C5 C6 Pt1 118.4(7) . . ?
C5 C6 C7 122.0(9) . . ?
C7 C6 Pt1 119.6(8) . . ?
C6 C7 C15 110.7(9) . . ?
C8 C7 C6 119.5(10) . . ?
C8 C7 C15 129.8(10) . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(9) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C11 121.3(9) . . ?
C10 C9 C8 117.6(9) . . ?
C10 C9 C11 121.0(9) . . ?
C5 C10 C9 122.7(9) . . ?
C5 C10 H10 118.6 . . ?
C9 C10 H10 118.6 . . ?
C9 C11 C12 109.2(11) . . ?
C9 C11 C13 107.7(11) . . ?
C13 C11 C12 110.9(10) . . ?
C14 C11 C9 112.3(9) . . ?
C14 C11 C12 107.8(12) . . ?
C14 C11 C13 108.9(11) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N3 C15 C7 115.3(10) . . ?
N4 C15 N3 124.3(11) . . ?
N4 C15 C7 120.4(10) . . ?
N4 C16 H16 118.1 . . ?
N4 C16 C17 123.8(10) . . ?
C17 C16 H16 118.1 . . ?
C16 C17 H17 122.4 . . ?
C18 C17 C16 115.3(10) . . ?
C18 C17 H17 122.4 . . ?
N3 C18 C17 124.2(10) . . ?
N3 C18 H18 117.9 . . ?
C17 C18 H18 117.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C5 C4 N1 -2(3) . . . . ?
C6 C5 C4 N2 178.4(19) . . . . ?
C6 C7 C15 N3 0(2) . . . . ?
C6 C7 C15 N4 178.8(15) . . . . ?
C8 C7 C15 N3 -178.9(13) . . . . ?
C8 C7 C15 N4 0(3) . . . . ?
C8 C9 C11 C12 -118.3(16) . . . . ?
C8 C9 C11 C13 121.2(15) . . . . ?
C8 C9 C11 C14 1(2) . . . . ?
C10 C5 C4 N1 -178(2) . . . . ?
C10 C5 C4 N2 2(4) . . . . ?
C10 C9 C11 C12 59(2) . . . . ?
C10 C9 C11 C13 -61(2) . . . . ?
C10 C9 C11 C14 179.0(17) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.583(2)
2 0.417(2)

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

data_2_MeOH_21srv417
_database_code_depnum_ccdc_archive 'CCDC 2164617'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2022-04-05 deposited with the CCDC.	2022-08-11 downloaded from the CCDC.
;
_audit_creation_date             2021-10-06
_audit_creation_method           
;
Olex2 1.3-beta
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C44 H34 Cl2 F12 N4 Pt2), 0.5(C H4 O), 0.75(C0.5 H2.5 O0.5)'
_chemical_formula_sum            'C22.88 H20.88 Cl F6 N2 O0.88 Pt'
_chemical_formula_weight         682.33
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.9746(5)
_cell_length_b                   23.6254(8)
_cell_length_c                   14.2787(5)
_cell_angle_alpha                90
_cell_angle_beta                 113.5820(10)
_cell_angle_gamma                90
_cell_volume                     4629.7(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9723
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      31.48
_cell_measurement_theta_min      2.27
_shelx_estimated_absorpt_T_max   0.885
_shelx_estimated_absorpt_T_min   0.316
_exptl_absorpt_coefficient_mu    6.243
_exptl_absorpt_correction_T_max  0.2671
_exptl_absorpt_correction_T_min  0.1699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1472 before and 0.0735 after correction.
The Ratio of minimum to maximum transmission is 0.6361.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.958
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2625
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0693
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            111237
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.000
_diffrn_reflns_theta_min         2.275
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON III C14 MM CPAD'
_diffrn_detector_area_resol_mean 54.4
_diffrn_detector_type            'CPA sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω- and φ-scan'
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_type              'Incoatec I\mS 3.0 microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11730
_reflns_number_total             13487
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         2.924
_refine_diff_density_min         -1.874
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     680
_refine_ls_number_reflns         13487
_refine_ls_number_restraints     122
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0398
_refine_ls_restrained_S_all      1.162
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0132P)²+34.8823P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0884
_refine_ls_wR_factor_ref         0.0917
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All C(H,H,H,H,H,H) groups, All O(H) groups, All O(H,H)
  groups
2. Restrained distances
 O2S-H2S
 0.9 with sigma of 0.01
 H2S-C3S
 1.78 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C5S) \\sim Ueq, Uanis(O3S) \\sim Ueq, Uanis(C4S) \\sim Ueq, Uanis(O2S)
\\sim Ueq, Uanis(C3S) \\sim Ueq, Uanis(O1SA) \\sim Ueq, Uanis(C1S) \\sim Ueq,
Uanis(O1S) \\sim Ueq, Uanis(F4) \\sim Ueq, Uanis(F4B) \\sim Ueq, Uanis(F5)
\\sim Ueq, Uanis(F5B) \\sim Ueq, Uanis(F6) \\sim Ueq, Uanis(F6B) \\sim Ueq,
Uanis(F4C) \\sim Ueq, Uanis(F4A) \\sim Ueq, Uanis(F5C) \\sim Ueq, Uanis(F6C)
\\sim Ueq, Uanis(F5A) \\sim Ueq, Uanis(F6A) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.008
Uanis(O1SA) = Uanis(C1S) = Uanis(O1S)
Uanis(O3S) = Uanis(C5S) = Uanis(C4S)
Uanis(O2S) = Uanis(C3S)
4. Others
 Fixed Sof: F4(0.5) F4B(0.5) F5(0.5) F5B(0.5) F6(0.5) F6B(0.5) F4A(0.5)
 F4C(0.5) F5A(0.5) F5C(0.5) F6A(0.5) F6C(0.5) O1S(0.5) H1S(0.5) O1SA(0.5)
 H1SA(0.5) H1SB(0.5) H1SC(0.5) H1SD(0.5) H1SE(0.5) H1SF(0.5) H1SG(0.5)
 O2S(0.25) C3S(0.25) H3SB(0.25) H3SC(0.25) H3SD(0.25) O3S(0.5) H3S(0.5)
 H3SA(0.5) C4S(0.25) H4SA(0.25) H4SB(0.25) H4SC(0.25) C5S(0.25) H5SA(0.25)
 H5SB(0.25) H5SC(0.25) H2S(0.5)
 Fixed Uiso: H2S(0.03)
5.a Riding coordinates:
 O1S(H1S), O1SA(H1SA), C1S(H1SB,H1SC,H1SD), C1S(H1SE,H1SF,H1SG), O3S(H3SA),
 C4S(H4SA,H4SB,H4SC), C5S(H5SA,H5SB,H5SC)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C9(H9), C11(H11), C17(H17), C19(H19), C20(H20),
 C1A(H1A), C2A(H2A), C4A(H4A), C9A(H9A), C11A(H11A), C17A(H17A), C19A(H19A),
 C20A(H20A)
5.c Tetrahedral OH refined with riding coordinates:
 O3S(H3S)
5.d Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C13A(H13D,H13E,
 H13F), C14A(H14D,H14E,H14F), C15A(H15D,H15E,H15F), C3S(H3SB,H3SC,H3SD)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.13533(2) 0.18210(2) 0.20368(2) 0.01517(5) Uani 1 1 d . . . . .
Cl1 Cl 0.19346(10) 0.08669(5) 0.20562(10) 0.0240(3) Uani 1 1 d . . . . .
F1 F 0.5682(3) 0.3002(2) 0.2219(3) 0.0470(11) Uani 1 1 d . . . . .
F2 F 0.4796(3) 0.3745(2) 0.1941(4) 0.0549(13) Uani 1 1 d . . . . .
F3 F 0.5444(3) 0.34014(18) 0.3454(3) 0.0397(9) Uani 1 1 d . . . . .
F4 F -0.3178(9) 0.1932(5) 0.2180(9) 0.046(3) Uani 0.5 1 d . U P A 1
F4B F -0.3369(9) 0.2003(5) 0.1724(10) 0.048(3) Uani 0.5 1 d . U P A 2
F5 F -0.3564(8) 0.1553(5) 0.0709(9) 0.043(2) Uani 0.5 1 d . U P A 1
F5B F -0.3502(11) 0.1293(6) 0.0792(12) 0.067(4) Uani 0.5 1 d . U P A 2
F6 F -0.3138(9) 0.1029(5) 0.1983(10) 0.046(3) Uani 0.5 1 d . U P A 1
F6B F -0.3018(10) 0.1171(6) 0.2382(10) 0.059(4) Uani 0.5 1 d . U P A 2
N1 N 0.2560(3) 0.22398(17) 0.2083(3) 0.0164(8) Uani 1 1 d . . . . .
N2 N -0.0017(3) 0.16705(17) 0.1944(3) 0.0162(8) Uani 1 1 d . . . . .
C1 C 0.3388(4) 0.2001(2) 0.2143(4) 0.0203(10) Uani 1 1 d . . . . .
H1 H 0.342362 0.160033 0.212107 0.024 Uiso 1 1 calc R U . . .
C2 C 0.4193(4) 0.2316(2) 0.2237(4) 0.0233(11) Uani 1 1 d . . . . .
H2 H 0.477708 0.213831 0.227832 0.028 Uiso 1 1 calc R U . . .
C3 C 0.4125(4) 0.2899(2) 0.2269(4) 0.0210(10) Uani 1 1 d . . . . .
C4 C 0.3256(4) 0.3159(2) 0.2154(4) 0.0193(10) Uani 1 1 d . . . . .
H4 H 0.320160 0.355991 0.214342 0.023 Uiso 1 1 calc R U . . .
C5 C 0.2471(4) 0.2819(2) 0.2057(4) 0.0163(9) Uani 1 1 d . . . . .
C6 C 0.1502(4) 0.3021(2) 0.1935(4) 0.0155(9) Uani 1 1 d . . . . .
C7 C 0.0885(3) 0.2581(2) 0.1928(3) 0.0144(8) Uani 1 1 d . . . . .
C8 C -0.0064(4) 0.26743(19) 0.1809(4) 0.0147(9) Uani 1 1 d . . . . .
C9 C -0.0411(4) 0.3233(2) 0.1684(4) 0.0161(9) Uani 1 1 d . . . . .
H9 H -0.106172 0.330456 0.160327 0.019 Uiso 1 1 calc R U . . .
C10 C 0.0191(4) 0.3686(2) 0.1677(4) 0.0163(9) Uani 1 1 d . . . . .
C11 C 0.1153(4) 0.3576(2) 0.1811(4) 0.0172(9) Uani 1 1 d . . . . .
H11 H 0.157039 0.388075 0.181842 0.021 Uiso 1 1 calc R U . . .
C12 C -0.0238(4) 0.4286(2) 0.1488(4) 0.0185(9) Uani 1 1 d . . . . .
C13 C 0.0524(4) 0.4731(2) 0.1521(5) 0.0275(12) Uani 1 1 d . . . . .
H13A H 0.106229 0.472859 0.219752 0.041 Uiso 1 1 calc R U . . .
H13B H 0.022063 0.510622 0.138469 0.041 Uiso 1 1 calc R U . . .
H13C H 0.077451 0.464104 0.100037 0.041 Uiso 1 1 calc R U . . .
C14 C -0.1072(4) 0.4311(2) 0.0434(5) 0.0282(12) Uani 1 1 d . . . . .
H14A H -0.082858 0.420923 -0.008665 0.042 Uiso 1 1 calc R U . . .
H14B H -0.133794 0.469615 0.030578 0.042 Uiso 1 1 calc R U . . .
H14C H -0.158402 0.404556 0.040609 0.042 Uiso 1 1 calc R U . . .
C15 C -0.0609(5) 0.4438(2) 0.2314(5) 0.0331(14) Uani 1 1 d . . . . .
H15A H -0.109337 0.415800 0.230993 0.050 Uiso 1 1 calc R U . . .
H15B H -0.090773 0.481414 0.217409 0.050 Uiso 1 1 calc R U . . .
H15C H -0.006163 0.443787 0.298429 0.050 Uiso 1 1 calc R U . . .
C16 C -0.0577(4) 0.2149(2) 0.1812(4) 0.0160(9) Uani 1 1 d . . . . .
C17 C -0.1533(4) 0.2103(2) 0.1727(4) 0.0178(9) Uani 1 1 d . . . . .
H17 H -0.192789 0.243126 0.162361 0.021 Uiso 1 1 calc R U . . .
C18 C -0.1906(4) 0.1573(2) 0.1793(4) 0.0203(10) Uani 1 1 d . . . . .
C19 C -0.1324(4) 0.1097(2) 0.1945(4) 0.0230(11) Uani 1 1 d . . . . .
H19 H -0.156894 0.073264 0.199648 0.028 Uiso 1 1 calc R U . . .
C20 C -0.0387(4) 0.1162(2) 0.2018(4) 0.0211(10) Uani 1 1 d . . . . .
H20 H 0.001423 0.083642 0.212450 0.025 Uiso 1 1 calc R U . . .
C21 C 0.5011(4) 0.3267(3) 0.2464(4) 0.0273(12) Uani 1 1 d . . . . .
C22 C -0.2940(4) 0.1518(2) 0.1681(5) 0.0293(12) Uani 1 1 d . . . . .
Pt2 Pt 0.19475(2) 0.19020(2) 0.44590(2) 0.01615(5) Uani 1 1 d . . . . .
Cl2 Cl 0.14282(11) 0.09359(5) 0.44550(11) 0.0265(3) Uani 1 1 d . . . . .
F1A F -0.1609(3) 0.3765(2) 0.4474(4) 0.0575(13) Uani 1 1 d . . . . .
F2A F -0.2250(3) 0.3385(2) 0.2996(3) 0.0438(10) Uani 1 1 d . . . . .
F3A F -0.2439(3) 0.3008(2) 0.4261(3) 0.0510(12) Uani 1 1 d . . . . .
F4A F 0.6456(7) 0.2125(5) 0.4288(9) 0.055(3) Uani 0.5 1 d . U P B 1
F4C F 0.6689(7) 0.2178(4) 0.5008(11) 0.061(3) Uani 0.5 1 d . U P B 2
F5A F 0.6453(7) 0.1233(4) 0.4416(10) 0.052(3) Uani 0.5 1 d . U P B 1
F5C F 0.6298(7) 0.1507(6) 0.3963(8) 0.058(3) Uani 0.5 1 d . U P B 2
F6A F 0.6895(6) 0.1742(5) 0.5745(7) 0.047(2) Uani 0.5 1 d . U P B 1
F6C F 0.6765(7) 0.1336(6) 0.5505(10) 0.071(3) Uani 0.5 1 d . U P B 2
N1A N 0.0714(3) 0.22956(18) 0.4397(3) 0.0174(8) Uani 1 1 d . . . . .
N2A N 0.3326(3) 0.17805(18) 0.4556(3) 0.0182(8) Uani 1 1 d . . . . .
C1A C -0.0113(4) 0.2040(2) 0.4328(4) 0.0220(10) Uani 1 1 d . . . . .
H1A H -0.013190 0.163801 0.435177 0.026 Uiso 1 1 calc R U . . .
C2A C -0.0931(4) 0.2342(3) 0.4222(4) 0.0238(11) Uani 1 1 d . . . . .
H2A H -0.151098 0.215276 0.416503 0.029 Uiso 1 1 calc R U . . .
C3A C -0.0896(4) 0.2928(3) 0.4201(4) 0.0225(10) Uani 1 1 d . . . . .
C4A C -0.0039(4) 0.3198(2) 0.4324(4) 0.0211(10) Uani 1 1 d . . . . .
H4A H -0.000089 0.359928 0.434479 0.025 Uiso 1 1 calc R U . . .
C5A C 0.0768(4) 0.2874(2) 0.4419(4) 0.0180(9) Uani 1 1 d . . . . .
C6A C 0.1722(4) 0.3097(2) 0.4538(4) 0.0164(9) Uani 1 1 d . . . . .
C7A C 0.2366(4) 0.2671(2) 0.4551(4) 0.0162(9) Uani 1 1 d . . . . .
C8A C 0.3314(3) 0.2788(2) 0.4671(4) 0.0152(9) Uani 1 1 d . . . . .
C9A C 0.3630(4) 0.3350(2) 0.4786(4) 0.0185(9) Uani 1 1 d . . . . .
H9A H 0.427770 0.343560 0.486918 0.022 Uiso 1 1 calc R U . . .
C10A C 0.2994(4) 0.3789(2) 0.4778(4) 0.0190(10) Uani 1 1 d . . . . .
C11A C 0.2038(4) 0.3660(2) 0.4652(4) 0.0181(9) Uani 1 1 d . . . . .
H11A H 0.160490 0.395572 0.464428 0.022 Uiso 1 1 calc R U . . .
C12A C 0.3373(4) 0.4401(2) 0.4939(4) 0.0229(10) Uani 1 1 d . . . . .
C13A C 0.2584(5) 0.4829(2) 0.4873(5) 0.0319(13) Uani 1 1 d . . . . .
H13D H 0.202102 0.478070 0.422221 0.048 Uiso 1 1 calc R U . . .
H13E H 0.284238 0.521340 0.491370 0.048 Uiso 1 1 calc R U . . .
H13F H 0.238413 0.476650 0.543935 0.048 Uiso 1 1 calc R U . . .
C14A C 0.4199(5) 0.4447(2) 0.6012(5) 0.0316(13) Uani 1 1 d . . . . .
H14D H 0.394581 0.435390 0.652861 0.047 Uiso 1 1 calc R U . . .
H14E H 0.445739 0.483333 0.612266 0.047 Uiso 1 1 calc R U . . .
H14F H 0.472130 0.418121 0.606724 0.047 Uiso 1 1 calc R U . . .
C15A C 0.3763(6) 0.4556(3) 0.4123(6) 0.0381(15) Uani 1 1 d . . . . .
H15D H 0.430158 0.430192 0.418461 0.057 Uiso 1 1 calc R U . . .
H15E H 0.399704 0.494794 0.422395 0.057 Uiso 1 1 calc R U . . .
H15F H 0.323985 0.451633 0.344098 0.057 Uiso 1 1 calc R U . . .
C16A C 0.3859(4) 0.2275(2) 0.4668(4) 0.0169(9) Uani 1 1 d . . . . .
C17A C 0.4808(4) 0.2250(2) 0.4751(4) 0.0213(10) Uani 1 1 d . . . . .
H17A H 0.518044 0.258700 0.484016 0.026 Uiso 1 1 calc R U . . .
C18A C 0.5213(4) 0.1728(2) 0.4704(4) 0.0218(10) Uani 1 1 d . . . . .
C19A C 0.4672(4) 0.1236(2) 0.4570(4) 0.0259(11) Uani 1 1 d . . . . .
H19A H 0.494152 0.087793 0.452511 0.031 Uiso 1 1 calc R U . . .
C20A C 0.3728(4) 0.1281(2) 0.4502(4) 0.0231(11) Uani 1 1 d . . . . .
H20A H 0.335044 0.094645 0.441423 0.028 Uiso 1 1 calc R U . . .
C21A C -0.1799(4) 0.3273(3) 0.3989(5) 0.0313(13) Uani 1 1 d . . . . .
C22A C 0.6246(4) 0.1697(3) 0.4785(5) 0.0300(12) Uani 1 1 d . . . . .
O1S O 0.4030(7) 0.5033(5) 0.0762(8) 0.0445(12) Uani 0.5 1 d . U P C 1
H1S H 0.410515 0.471607 0.053600 0.067 Uiso 0.5 1 d R U P C 1
O1SA O 0.2917(8) 0.4474(4) 0.1523(8) 0.0445(12) Uani 0.5 1 d . U P C 2
H1SA H 0.274502 0.428022 0.098612 0.067 Uiso 0.5 1 d R U P C 2
C1S C 0.3499(6) 0.4959(3) 0.1448(6) 0.0445(12) Uani 1 1 d . U . . .
H1SB H 0.280104 0.491210 0.103476 0.067 Uiso 0.5 1 d R U P C 1
H1SC H 0.374864 0.462470 0.188016 0.067 Uiso 0.5 1 d R U P C 1
H1SD H 0.360274 0.529580 0.188016 0.067 Uiso 0.5 1 d R U P C 1
H1SE H 0.333724 0.505020 0.072876 0.067 Uiso 0.5 1 d R U P C 2
H1SF H 0.335204 0.528530 0.178606 0.067 Uiso 0.5 1 d R U P C 2
H1SG H 0.419444 0.486840 0.178606 0.067 Uiso 0.5 1 d R U P C 2
O2S O 0.000000 0.500000 0.500000 0.023(2) Uani 0.5 2 d DS U P . .
C3S C 0.0311(16) 0.4476(9) 0.5007(16) 0.023(2) Uani 0.25 1 d D U P D -2
H3SB H 0.053719 0.442910 0.445513 0.035 Uiso 0.25 1 calc R U P D -2
H3SC H -0.022249 0.421050 0.490592 0.035 Uiso 0.25 1 calc R U P D -2
H3SD H 0.085045 0.439895 0.566499 0.035 Uiso 0.25 1 calc R U P D -2
O3S O 0.4171(6) 0.5113(4) 0.9225(7) 0.0343(17) Uani 0.5 1 d . U P . .
H3S H 0.391861 0.512688 0.965470 0.051 Uiso 0.5 1 calc R U P E 1
H3SA H 0.438249 0.509659 0.986558 0.051 Uiso 0.5 1 d R U P F 2
C4S C 0.3476(19) 0.5300(11) 0.825(2) 0.0343(17) Uani 0.25 1 d . U P G 1
H4SA H 0.360061 0.509304 0.771765 0.051 Uiso 0.25 1 d R U P G 1
H4SB H 0.280701 0.522584 0.817585 0.051 Uiso 0.25 1 d R U P G 1
H4SC H 0.356081 0.570614 0.817585 0.051 Uiso 0.25 1 d R U P G 1
C5S C 0.3035(19) 0.5063(11) 0.873(2) 0.0343(17) Uani 0.25 1 d . U P G 2
H5SA H 0.281780 0.506607 0.798283 0.051 Uiso 0.25 1 d R U P G 2
H5SB H 0.283250 0.470787 0.894003 0.051 Uiso 0.25 1 d R U P G 2
H5SC H 0.274401 0.538277 0.894003 0.051 Uiso 0.25 1 d R U P G 2
H2S H 0.050(3) 0.524(2) 0.518(10) 0.030 Uiso 0.5 1 d D U P H -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.4126(12) . ?
Pt1 N1 2.038(4) . ?
Pt1 N2 2.035(4) . ?
Pt1 C7 1.911(5) . ?
Pt1 Pt2 3.2137(3) . ?
F1 C21 1.343(7) . ?
F2 C21 1.322(7) . ?
F3 C21 1.336(7) . ?
F4 C22 1.340(13) . ?
F4B C22 1.328(14) . ?
F5 C22 1.330(12) . ?
F5B C22 1.322(15) . ?
F6 C22 1.307(12) . ?
F6B C22 1.334(14) . ?
N1 C1 1.333(6) . ?
N1 C5 1.374(6) . ?
N2 C16 1.375(6) . ?
N2 C20 1.344(6) . ?
C1 C2 1.377(8) . ?
C2 C3 1.384(8) . ?
C3 C4 1.388(7) . ?
C3 C21 1.516(8) . ?
C4 C5 1.384(7) . ?
C5 C6 1.470(7) . ?
C6 C7 1.389(7) . ?
C6 C11 1.396(7) . ?
C7 C8 1.380(7) . ?
C8 C9 1.402(6) . ?
C8 C16 1.461(7) . ?
C9 C10 1.402(7) . ?
C10 C11 1.399(7) . ?
C10 C12 1.535(7) . ?
C12 C13 1.539(7) . ?
C12 C14 1.525(8) . ?
C12 C15 1.533(7) . ?
C16 C17 1.392(7) . ?
C17 C18 1.390(7) . ?
C18 C19 1.385(7) . ?
C18 C22 1.496(8) . ?
C19 C20 1.374(8) . ?
Pt2 Cl2 2.4106(12) . ?
Pt2 N1A 2.038(4) . ?
Pt2 N2A 2.034(4) . ?
Pt2 C7A 1.910(5) . ?
F1A C21A 1.324(8) . ?
F2A C21A 1.330(7) . ?
F3A C21A 1.327(7) . ?
F4A C22A 1.342(11) . ?
F4C C22A 1.290(11) . ?
F5A C22A 1.306(10) . ?
F5C C22A 1.287(11) . ?
F6A C22A 1.330(10) . ?
F6C C22A 1.323(11) . ?
N1A C1A 1.346(6) . ?
N1A C5A 1.369(6) . ?
N2A C16A 1.387(6) . ?
N2A C20A 1.341(6) . ?
C1A C2A 1.373(8) . ?
C2A C3A 1.386(8) . ?
C3A C4A 1.380(7) . ?
C3A C21A 1.503(8) . ?
C4A C5A 1.391(7) . ?
C5A C6A 1.467(7) . ?
C6A C7A 1.388(7) . ?
C6A C11A 1.400(7) . ?
C7A C8A 1.387(7) . ?
C8A C9A 1.396(7) . ?
C8A C16A 1.463(7) . ?
C9A C10A 1.405(7) . ?
C10A C11A 1.403(7) . ?
C10A C12A 1.536(7) . ?
C12A C13A 1.527(8) . ?
C12A C14A 1.540(8) . ?
C12A C15A 1.544(8) . ?
C16A C17A 1.380(7) . ?
C17A C18A 1.388(7) . ?
C18A C19A 1.387(8) . ?
C18A C22A 1.506(8) . ?
C19A C20A 1.382(8) . ?
O1S C1S 1.497(12) . ?
O1SA C1S 1.470(12) . ?
O2S C3S 1.322(19) . ?
O3S C4S 1.44(3) . ?
O3S C5S 1.56(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Pt1 Pt2 95.74(3) . . ?
N1 Pt1 Cl1 98.16(12) . . ?
N1 Pt1 Pt2 94.39(11) . . ?
N2 Pt1 Cl1 100.80(12) . . ?
N2 Pt1 N1 160.97(16) . . ?
N2 Pt1 Pt2 85.32(11) . . ?
C7 Pt1 Cl1 176.11(14) . . ?
C7 Pt1 N1 80.70(18) . . ?
C7 Pt1 N2 80.28(18) . . ?
C7 Pt1 Pt2 88.07(13) . . ?
C1 N1 Pt1 125.9(4) . . ?
C1 N1 C5 120.0(4) . . ?
C5 N1 Pt1 114.0(3) . . ?
C16 N2 Pt1 114.1(3) . . ?
C20 N2 Pt1 126.0(3) . . ?
C20 N2 C16 119.9(4) . . ?
N1 C1 C2 122.3(5) . . ?
C1 C2 C3 117.9(5) . . ?
C2 C3 C4 121.0(5) . . ?
C2 C3 C21 120.4(5) . . ?
C4 C3 C21 118.6(5) . . ?
C5 C4 C3 118.2(5) . . ?
N1 C5 C4 120.4(5) . . ?
N1 C5 C6 114.1(4) . . ?
C4 C5 C6 125.5(5) . . ?
C7 C6 C5 112.3(4) . . ?
C7 C6 C11 119.2(4) . . ?
C11 C6 C5 128.5(5) . . ?
C6 C7 Pt1 118.8(4) . . ?
C8 C7 Pt1 119.1(3) . . ?
C8 C7 C6 122.1(4) . . ?
C7 C8 C9 118.5(4) . . ?
C7 C8 C16 112.4(4) . . ?
C9 C8 C16 129.1(5) . . ?
C10 C9 C8 120.8(4) . . ?
C9 C10 C12 118.8(4) . . ?
C11 C10 C9 119.2(4) . . ?
C11 C10 C12 122.0(4) . . ?
C6 C11 C10 120.2(4) . . ?
C10 C12 C13 111.9(4) . . ?
C14 C12 C10 109.3(4) . . ?
C14 C12 C13 107.9(4) . . ?
C14 C12 C15 110.1(5) . . ?
C15 C12 C10 109.6(4) . . ?
C15 C12 C13 108.0(5) . . ?
N2 C16 C8 114.0(4) . . ?
N2 C16 C17 119.8(4) . . ?
C17 C16 C8 126.2(4) . . ?
C18 C17 C16 119.5(5) . . ?
C17 C18 C22 119.9(5) . . ?
C19 C18 C17 119.8(5) . . ?
C19 C18 C22 120.3(5) . . ?
C20 C19 C18 118.8(5) . . ?
N2 C20 C19 122.3(5) . . ?
F1 C21 C3 112.1(5) . . ?
F2 C21 F1 106.8(5) . . ?
F2 C21 F3 107.5(5) . . ?
F2 C21 C3 112.9(5) . . ?
F3 C21 F1 106.8(5) . . ?
F3 C21 C3 110.4(5) . . ?
F4 C22 C18 111.3(7) . . ?
F4B C22 F6B 107.8(10) . . ?
F4B C22 C18 114.7(7) . . ?
F5 C22 F4 106.4(9) . . ?
F5 C22 C18 111.8(7) . . ?
F5B C22 F4B 104.9(9) . . ?
F5B C22 F6B 105.1(10) . . ?
F5B C22 C18 111.9(9) . . ?
F6 C22 F4 109.0(9) . . ?
F6 C22 F5 104.0(8) . . ?
F6 C22 C18 113.8(7) . . ?
F6B C22 C18 111.7(8) . . ?
Cl2 Pt2 Pt1 89.48(3) . . ?
N1A Pt2 Pt1 97.17(11) . . ?
N1A Pt2 Cl2 98.40(12) . . ?
N2A Pt2 Pt1 84.33(12) . . ?
N2A Pt2 Cl2 100.62(12) . . ?
N2A Pt2 N1A 160.94(17) . . ?
C7A Pt2 Pt1 94.15(14) . . ?
C7A Pt2 Cl2 176.32(14) . . ?
C7A Pt2 N1A 80.55(19) . . ?
C7A Pt2 N2A 80.39(19) . . ?
C1A N1A Pt2 126.1(4) . . ?
C1A N1A C5A 119.7(5) . . ?
C5A N1A Pt2 114.2(3) . . ?
C16A N2A Pt2 114.2(3) . . ?
C20A N2A Pt2 125.9(4) . . ?
C20A N2A C16A 119.9(4) . . ?
N1A C1A C2A 121.9(5) . . ?
C1A C2A C3A 118.8(5) . . ?
C2A C3A C21A 120.5(5) . . ?
C4A C3A C2A 120.0(5) . . ?
C4A C3A C21A 119.4(5) . . ?
C3A C4A C5A 119.1(5) . . ?
N1A C5A C4A 120.4(5) . . ?
N1A C5A C6A 114.0(4) . . ?
C4A C5A C6A 125.6(5) . . ?
C7A C6A C5A 112.4(4) . . ?
C7A C6A C11A 119.1(5) . . ?
C11A C6A C5A 128.5(5) . . ?
C6A C7A Pt2 118.7(4) . . ?
C8A C7A Pt2 119.3(4) . . ?
C8A C7A C6A 121.9(5) . . ?
C7A C8A C9A 119.1(4) . . ?
C7A C8A C16A 112.2(4) . . ?
C9A C8A C16A 128.7(4) . . ?
C8A C9A C10A 120.2(5) . . ?
C9A C10A C12A 119.0(5) . . ?
C11A C10A C9A 119.6(5) . . ?
C11A C10A C12A 121.3(5) . . ?
C6A C11A C10A 120.1(5) . . ?
C10A C12A C14A 108.4(4) . . ?
C10A C12A C15A 109.8(4) . . ?
C13A C12A C10A 112.6(5) . . ?
C13A C12A C14A 108.0(5) . . ?
C13A C12A C15A 108.3(5) . . ?
C14A C12A C15A 109.7(5) . . ?
N2A C16A C8A 113.8(4) . . ?
C17A C16A N2A 120.0(5) . . ?
C17A C16A C8A 126.2(5) . . ?
C16A C17A C18A 119.2(5) . . ?
C17A C18A C22A 119.7(5) . . ?
C19A C18A C17A 120.6(5) . . ?
C19A C18A C22A 119.7(5) . . ?
C20A C19A C18A 118.0(5) . . ?
N2A C20A C19A 122.2(5) . . ?
F1A C21A F2A 107.2(6) . . ?
F1A C21A F3A 106.9(5) . . ?
F1A C21A C3A 112.6(5) . . ?
F2A C21A C3A 110.7(5) . . ?
F3A C21A F2A 106.7(5) . . ?
F3A C21A C3A 112.4(5) . . ?
F4A C22A C18A 112.0(6) . . ?
F4C C22A F6C 106.9(10) . . ?
F4C C22A C18A 112.8(6) . . ?
F5A C22A F4A 106.0(9) . . ?
F5A C22A F6A 106.8(8) . . ?
F5A C22A C18A 114.3(7) . . ?
F5C C22A F4C 108.7(9) . . ?
F5C C22A F6C 104.6(9) . . ?
F5C C22A C18A 112.5(7) . . ?
F6A C22A F4A 104.8(8) . . ?
F6A C22A C18A 112.3(6) . . ?
F6C C22A C18A 110.9(7) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 C3 C21 F1 23.0(7) . . . . ?
C2 C3 C21 F2 143.7(6) . . . . ?
C2 C3 C21 F3 -96.0(6) . . . . ?
C4 C3 C21 F1 -158.8(5) . . . . ?
C4 C3 C21 F2 -38.2(7) . . . . ?
C4 C3 C21 F3 82.1(6) . . . . ?
C4 C5 C6 C7 -175.8(5) . . . . ?
C4 C5 C6 C11 5.6(8) . . . . ?
C7 C6 C5 N1 3.4(6) . . . . ?
C7 C8 C16 N2 0.7(6) . . . . ?
C7 C8 C16 C17 178.7(5) . . . . ?
C9 C8 C16 N2 179.3(5) . . . . ?
C9 C8 C16 C17 -2.6(8) . . . . ?
C11 C6 C5 N1 -175.2(5) . . . . ?
C2A C3A C21A F1A 147.7(6) . . . . ?
C2A C3A C21A F2A -92.3(6) . . . . ?
C2A C3A C21A F3A 26.9(8) . . . . ?
C4A C3A C21A F1A -35.6(7) . . . . ?
C4A C3A C21A F2A 84.4(7) . . . . ?
C4A C3A C21A F3A -156.3(5) . . . . ?
C4A C5A C6A C7A -176.3(5) . . . . ?
C4A C5A C6A C11A 4.9(8) . . . . ?
C7A C6A C5A N1A 3.2(6) . . . . ?
C7A C8A C16A N2A -0.5(6) . . . . ?
C7A C8A C16A C17A 178.6(5) . . . . ?
C9A C8A C16A N2A 178.8(5) . . . . ?
C9A C8A C16A C17A -2.1(8) . . . . ?
C11A C6A C5A N1A -175.5(5) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
