# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_vd5_sq
_database_code_depnum_ccdc_archive 'CCDC 2394176'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2025-03-03 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C24 H26 N4 Pt'
_chemical_formula_weight         565.58

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'
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           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'

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

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

_cell_length_a                   26.4912(17)
_cell_length_b                   11.0501(7)
_cell_length_c                   22.1450(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6482.5(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    8929
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      27.52

_exptl_crystal_description       Needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_F_000             2208
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.340
_shelx_estimated_absorpt_T_min   0.449
_shelx_estimated_absorpt_T_max   0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5673
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            37826
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.537
_diffrn_reflns_theta_max         27.556
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             14783
_reflns_number_gt                12168
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.922
_reflns_Friedel_fraction_max     0.972
_reflns_Friedel_fraction_full    0.977

_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. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_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)+(0.0224P)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   0.416(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         14783
_refine_ls_number_parameters     536
_refine_ls_number_restraints     915
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0325
_refine_ls_wR_factor_ref         0.0656
_refine_ls_wR_factor_gt          0.0612
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.031
_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 0.89402(2) 0.24006(3) 0.63928(2) 0.01376(7) Uani 1 1 d . U . . .
Pt2 Pt 0.61727(2) 0.73795(3) 0.37237(2) 0.01341(7) Uani 1 1 d . U . . .
N4 N 0.7257(3) 0.4699(7) 0.6947(3) 0.0235(15) Uani 1 1 d . U . . .
N3 N 0.7155(3) 0.1372(7) 0.5391(3) 0.0272(16) Uani 1 1 d . U . . .
N1 N 0.9764(2) 0.3584(7) 0.7191(3) 0.0204(15) Uani 1 1 d . U . . .
N2 N 0.9643(2) 0.0754(6) 0.5615(3) 0.0197(14) Uani 1 1 d . U . . .
N8 N 0.8045(3) 0.6470(8) 0.4561(4) 0.0344(18) Uani 1 1 d . U . . .
N7 N 0.7807(3) 0.9723(6) 0.2954(3) 0.0191(14) Uani 1 1 d . U . . .
N5 N 0.5534(2) 0.5767(6) 0.4588(3) 0.0190(14) Uani 1 1 d . U . . .
N6 N 0.5280(2) 0.8566(7) 0.3032(3) 0.0207(15) Uani 1 1 d . U . . .
C1 C 1.0265(3) -0.0826(9) 0.5568(4) 0.029(2) Uani 1 1 d . U . . .
H1A H 1.052132 -0.032717 0.576695 0.044 Uiso 1 1 calc R U . . .
H1B H 1.043067 -0.142672 0.530929 0.044 Uiso 1 1 calc R U . . .
H1C H 1.006117 -0.124092 0.587344 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7691(3) 0.4784(8) 0.7240(4) 0.0180(15) Uani 1 1 d . U . . .
C12 C 0.7761(3) 0.5603(8) 0.7713(4) 0.0182(15) Uani 1 1 d . U . . .
H12 H 0.807845 0.564092 0.791285 0.022 Uiso 1 1 calc R U . . .
C13 C 0.7372(3) 0.6364(8) 0.7895(4) 0.0239(17) Uani 1 1 d . U . . .
H13 H 0.741386 0.693765 0.821046 0.029 Uiso 1 1 calc R U . . .
C14 C 0.6915(3) 0.6237(9) 0.7586(4) 0.033(2) Uani 1 1 d . U . . .
H14 H 0.663028 0.670662 0.769945 0.039 Uiso 1 1 calc R U . . .
C15 C 0.6883(3) 0.5437(8) 0.7123(4) 0.0279(18) Uani 1 1 d . U . . .
H15 H 0.657329 0.539676 0.690778 0.034 Uiso 1 1 calc R U . . .
C16 C 0.8109(3) 0.4039(8) 0.7032(4) 0.0211(18) Uani 1 1 d . U . . .
C17 C 0.8446(3) 0.3442(8) 0.6816(4) 0.0187(16) Uani 1 1 d . U . . .
C21 C 0.7609(3) 0.0887(8) 0.5277(4) 0.0204(15) Uani 1 1 d . U . . .
C22 C 0.7690(4) -0.0019(8) 0.4840(4) 0.0265(18) Uani 1 1 d . U . . .
H22 H 0.801759 -0.034334 0.477544 0.032 Uiso 1 1 calc R U . . .
C23 C 0.7279(4) -0.0431(8) 0.4505(4) 0.0306(18) Uani 1 1 d . U . . .
H23 H 0.732394 -0.103304 0.420367 0.037 Uiso 1 1 calc R U . . .
C24 C 0.6809(4) 0.0042(9) 0.4615(4) 0.0338(19) Uani 1 1 d . U . . .
H24 H 0.652144 -0.023322 0.439842 0.041 Uiso 1 1 calc R U . . .
C25 C 0.6767(3) 0.0932(9) 0.5052(4) 0.0335(19) Uani 1 1 d . U . . .
H25 H 0.644156 0.126323 0.512102 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8022(3) 0.1349(7) 0.5627(4) 0.0175(16) Uani 1 1 d . U . . .
C27 C 0.8368(3) 0.1726(7) 0.5895(4) 0.0167(16) Uani 1 1 d . U . . .
C31 C 0.9485(3) 0.3124(8) 0.6900(4) 0.0183(17) Uani 1 1 d . U . . .
C32 C 1.0134(3) 0.4266(9) 0.7569(4) 0.0241(16) Uani 1 1 d . U . . .
C33 C 0.9829(3) 0.5145(9) 0.7950(5) 0.034(2) Uani 1 1 d . U . . .
H33A H 0.960991 0.562874 0.768772 0.051 Uiso 1 1 calc R U . . .
H33B H 1.005861 0.568245 0.817084 0.051 Uiso 1 1 calc R U . . .
H33C H 0.962148 0.469215 0.823875 0.051 Uiso 1 1 calc R U . . .
C34 C 1.0413(3) 0.3326(9) 0.7967(4) 0.035(2) Uani 1 1 d . U . . .
H34A H 1.017292 0.294825 0.824569 0.052 Uiso 1 1 calc R U . . .
H34B H 1.067918 0.373281 0.819876 0.052 Uiso 1 1 calc R U . . .
H34C H 1.056452 0.270373 0.770913 0.052 Uiso 1 1 calc R U . . .
C35 C 1.0477(3) 0.4917(9) 0.7137(4) 0.031(2) Uani 1 1 d . U . . .
H35A H 1.064372 0.432795 0.687411 0.046 Uiso 1 1 calc R U . . .
H35B H 1.073163 0.536934 0.736518 0.046 Uiso 1 1 calc R U . . .
H35C H 1.027776 0.547969 0.689146 0.046 Uiso 1 1 calc R U . . .
C41 C 0.9409(3) 0.1361(7) 0.5911(4) 0.0166(15) Uani 1 1 d . U . . .
C42 C 0.9925(3) -0.0022(8) 0.5183(4) 0.0249(16) Uani 1 1 d . U . . .
C44 C 1.0250(3) 0.0876(8) 0.4816(5) 0.034(2) Uani 1 1 d . U . . .
H44A H 1.003353 0.151065 0.464795 0.051 Uiso 1 1 calc R U . . .
H44B H 1.041942 0.044393 0.448727 0.051 Uiso 1 1 calc R U . . .
H44C H 1.050368 0.124269 0.508159 0.051 Uiso 1 1 calc R U . . .
C45 C 0.9555(3) -0.0730(8) 0.4806(4) 0.0257(18) Uani 1 1 d . U . . .
H45A H 0.935825 -0.126775 0.506714 0.039 Uiso 1 1 calc R U . . .
H45B H 0.973942 -0.121342 0.450715 0.039 Uiso 1 1 calc R U . . .
H45C H 0.932737 -0.016988 0.459729 0.039 Uiso 1 1 calc R U . . .
C51 C 0.7600(3) 0.5948(8) 0.4703(4) 0.0241(16) Uani 1 1 d . U . . .
C52 C 0.7548(4) 0.5059(8) 0.5143(5) 0.0293(18) Uani 1 1 d . U . . .
H52 H 0.722577 0.473397 0.524056 0.035 Uiso 1 1 calc R U . . .
C53 C 0.7986(4) 0.4656(9) 0.5438(4) 0.034(2) Uani 1 1 d . U . . .
H53 H 0.796828 0.403396 0.573349 0.040 Uiso 1 1 calc R U . . .
C54 C 0.8437(4) 0.5175(9) 0.5293(4) 0.042(2) Uani 1 1 d . U . . .
H54 H 0.873672 0.491529 0.548862 0.050 Uiso 1 1 calc R U . . .
C55 C 0.8458(4) 0.6074(10) 0.4863(5) 0.042(2) Uani 1 1 d . U . . .
H55 H 0.877580 0.643204 0.477509 0.051 Uiso 1 1 calc R U . . .
C56 C 0.7157(3) 0.6383(7) 0.4381(4) 0.0190(16) Uani 1 1 d . U . . .
C57 C 0.6782(3) 0.6725(7) 0.4140(4) 0.0135(14) Uani 1 1 d . U . . .
C61 C 0.7332(3) 0.9821(8) 0.2738(4) 0.0162(15) Uani 1 1 d . U . . .
C62 C 0.7213(3) 1.0629(8) 0.2260(4) 0.0195(16) Uani 1 1 d . U . . .
H62 H 0.688124 1.065459 0.209723 0.023 Uiso 1 1 calc R U . . .
C63 C 0.7579(3) 1.1364(7) 0.2038(4) 0.0201(16) Uani 1 1 d . U . . .
H63 H 0.750632 1.191443 0.172006 0.024 Uiso 1 1 calc R U . . .
C64 C 0.8056(3) 1.1302(8) 0.2278(4) 0.0254(18) Uani 1 1 d . U . . .
H64 H 0.831221 1.183902 0.214351 0.030 Uiso 1 1 calc R U . . .
C65 C 0.8158(3) 1.0459(8) 0.2715(4) 0.0257(17) Uani 1 1 d . U . . .
H65 H 0.849517 1.039138 0.285661 0.031 Uiso 1 1 calc R U . . .
C66 C 0.6956(3) 0.9046(7) 0.3006(4) 0.0146(15) Uani 1 1 d . U . . .
C67 C 0.6636(3) 0.8419(7) 0.3238(4) 0.0121(14) Uani 1 1 d . U . . .
C71 C 0.5747(3) 0.6352(7) 0.4262(4) 0.0138(14) Uani 1 1 d . U . . .
C72 C 0.5257(3) 0.5029(8) 0.5031(4) 0.0233(15) Uani 1 1 d . U . . .
C73 C 0.4962(3) 0.5922(8) 0.5432(4) 0.0265(19) Uani 1 1 d . U . . .
H73A H 0.520031 0.645420 0.564260 0.040 Uiso 1 1 calc R U . . .
H73B H 0.476307 0.547000 0.572902 0.040 Uiso 1 1 calc R U . . .
H73C H 0.473647 0.640989 0.518015 0.040 Uiso 1 1 calc R U . . .
C74 C 0.5644(3) 0.4331(8) 0.5416(4) 0.031(2) Uani 1 1 d . U . . .
H74A H 0.585103 0.381797 0.515225 0.047 Uiso 1 1 calc R U . . .
H74B H 0.546670 0.382349 0.570979 0.047 Uiso 1 1 calc R U . . .
H74C H 0.586213 0.490628 0.562886 0.047 Uiso 1 1 calc R U . . .
C75 C 0.4903(3) 0.4178(9) 0.4688(4) 0.030(2) Uani 1 1 d . U . . .
H75A H 0.468458 0.465270 0.441973 0.045 Uiso 1 1 calc R U . . .
H75B H 0.469387 0.372864 0.497606 0.045 Uiso 1 1 calc R U . . .
H75C H 0.510260 0.360865 0.444730 0.045 Uiso 1 1 calc R U . . .
C81 C 0.5593(3) 0.8135(8) 0.3294(4) 0.0165(16) Uani 1 1 d . U . . .
C82 C 0.4887(3) 0.9249(9) 0.2693(4) 0.0228(16) Uani 1 1 d . U . . .
C83 C 0.4592(3) 0.9955(9) 0.3170(4) 0.028(2) Uani 1 1 d . U . . .
H83A H 0.442994 0.938711 0.344867 0.042 Uiso 1 1 calc R U . . .
H83B H 0.433402 1.045108 0.297201 0.042 Uiso 1 1 calc R U . . .
H83C H 0.482401 1.047940 0.339445 0.042 Uiso 1 1 calc R U . . .
C84 C 0.4564(3) 0.8346(9) 0.2366(4) 0.0292(19) Uani 1 1 d . U . . .
H84A H 0.477652 0.785179 0.210060 0.044 Uiso 1 1 calc R U . . .
H84B H 0.431098 0.877350 0.212421 0.044 Uiso 1 1 calc R U . . .
H84C H 0.439461 0.782332 0.266034 0.044 Uiso 1 1 calc R U . . .
C85 C 0.5165(4) 1.0103(10) 0.2271(5) 0.034(2) Uani 1 1 d . U . . .
H85A H 0.534200 1.071907 0.250828 0.051 Uiso 1 1 calc R U . . .
H85B H 0.492243 1.049657 0.200035 0.051 Uiso 1 1 calc R U . . .
H85C H 0.541013 0.964414 0.203089 0.051 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 C17 1.979(8) . ?
Pt1 C31 1.996(8) . ?
Pt1 C41 2.000(8) . ?
Pt1 C27 2.018(8) . ?
Pt2 C81 1.990(8) . ?
Pt2 C57 1.995(8) . ?
Pt2 C67 1.996(8) . ?
Pt2 C71 1.996(8) . ?
N4 C11 1.324(10) . ?
N4 C15 1.340(10) . ?
N3 C21 1.340(11) . ?
N3 C25 1.362(11) . ?
N1 C31 1.103(10) . ?
N1 C32 1.495(11) . ?
N2 C41 1.124(10) . ?
N2 C42 1.487(10) . ?
N8 C51 1.351(11) . ?
N8 C55 1.355(11) . ?
N7 C65 1.345(10) . ?
N7 C61 1.352(10) . ?
N5 C71 1.121(9) . ?
N5 C72 1.472(10) . ?
N6 C81 1.119(10) . ?
N6 C82 1.490(10) . ?
C1 C42 1.525(12) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C11 C12 1.398(12) . ?
C11 C16 1.455(11) . ?
C12 C13 1.391(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.396(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.358(12) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.208(11) . ?
C21 C22 1.409(12) . ?
C21 C26 1.435(11) . ?
C22 C23 1.393(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.372(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(13) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.168(10) . ?
C32 C35 1.501(13) . ?
C32 C33 1.521(12) . ?
C32 C34 1.550(13) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C42 C45 1.506(12) . ?
C42 C44 1.544(12) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C51 C52 1.390(12) . ?
C51 C56 1.455(11) . ?
C52 C53 1.405(13) . ?
C52 H52 0.9500 . ?
C53 C54 1.363(14) . ?
C53 H53 0.9500 . ?
C54 C55 1.377(13) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.189(10) . ?
C61 C62 1.420(11) . ?
C61 C66 1.441(11) . ?
C62 C63 1.357(11) . ?
C62 H62 0.9500 . ?
C63 C64 1.372(11) . ?
C63 H63 0.9500 . ?
C64 C65 1.370(11) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C67 1.209(11) . ?
C72 C75 1.531(12) . ?
C72 C73 1.539(12) . ?
C72 C74 1.541(12) . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C82 C84 1.499(12) . ?
C82 C85 1.519(12) . ?
C82 C83 1.528(12) . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 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
C17 Pt1 C31 88.7(4) . . ?
C17 Pt1 C41 175.8(4) . . ?
C31 Pt1 C41 94.7(3) . . ?
C17 Pt1 C27 88.7(3) . . ?
C31 Pt1 C27 177.4(3) . . ?
C41 Pt1 C27 87.9(3) . . ?
C81 Pt2 C57 176.0(3) . . ?
C81 Pt2 C67 88.6(3) . . ?
C57 Pt2 C67 87.7(3) . . ?
C81 Pt2 C71 95.1(3) . . ?
C57 Pt2 C71 88.6(3) . . ?
C67 Pt2 C71 175.6(3) . . ?
C11 N4 C15 117.1(8) . . ?
C21 N3 C25 115.4(8) . . ?
C31 N1 C32 177.1(10) . . ?
C41 N2 C42 175.4(9) . . ?
C51 N8 C55 116.9(8) . . ?
C65 N7 C61 117.1(7) . . ?
C71 N5 C72 178.2(8) . . ?
C81 N6 C82 174.7(9) . . ?
C42 C1 H1A 109.5 . . ?
C42 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C42 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
N4 C11 C12 122.0(8) . . ?
N4 C11 C16 117.8(8) . . ?
C12 C11 C16 120.1(8) . . ?
C13 C12 C11 120.6(8) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 116.1(8) . . ?
C12 C13 H13 121.9 . . ?
C14 C13 H13 121.9 . . ?
C15 C14 C13 119.4(8) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
N4 C15 C14 124.7(8) . . ?
N4 C15 H15 117.6 . . ?
C14 C15 H15 117.6 . . ?
C17 C16 C11 175.2(10) . . ?
C16 C17 Pt1 173.3(8) . . ?
N3 C21 C22 123.4(8) . . ?
N3 C21 C26 116.0(8) . . ?
C22 C21 C26 120.5(8) . . ?
C23 C22 C21 118.6(9) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C24 C23 C22 119.4(9) . . ?
C24 C23 H23 120.3 . . ?
C22 C23 H23 120.3 . . ?
C23 C24 C25 117.8(8) . . ?
C23 C24 H24 121.1 . . ?
C25 C24 H24 121.1 . . ?
N3 C25 C24 125.4(9) . . ?
N3 C25 H25 117.3 . . ?
C24 C25 H25 117.3 . . ?
C27 C26 C21 177.7(9) . . ?
C26 C27 Pt1 177.0(8) . . ?
N1 C31 Pt1 175.3(8) . . ?
N1 C32 C35 106.3(8) . . ?
N1 C32 C33 106.5(7) . . ?
C35 C32 C33 111.6(9) . . ?
N1 C32 C34 107.1(8) . . ?
C35 C32 C34 113.3(8) . . ?
C33 C32 C34 111.5(8) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
N2 C41 Pt1 175.0(8) . . ?
N2 C42 C45 109.3(7) . . ?
N2 C42 C1 105.9(7) . . ?
C45 C42 C1 113.0(8) . . ?
N2 C42 C44 104.4(7) . . ?
C45 C42 C44 113.9(8) . . ?
C1 C42 C44 109.8(8) . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 H45A 109.5 . . ?
C42 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C42 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N8 C51 C52 123.5(8) . . ?
N8 C51 C56 116.7(8) . . ?
C52 C51 C56 119.7(8) . . ?
C51 C52 C53 117.9(9) . . ?
C51 C52 H52 121.0 . . ?
C53 C52 H52 121.0 . . ?
C54 C53 C52 118.7(10) . . ?
C54 C53 H53 120.6 . . ?
C52 C53 H53 120.6 . . ?
C53 C54 C55 120.2(9) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
N8 C55 C54 122.7(10) . . ?
N8 C55 H55 118.6 . . ?
C54 C55 H55 118.6 . . ?
C57 C56 C51 177.1(9) . . ?
C56 C57 Pt2 177.0(7) . . ?
N7 C61 C62 121.4(8) . . ?
N7 C61 C66 116.7(7) . . ?
C62 C61 C66 121.9(8) . . ?
C63 C62 C61 119.2(8) . . ?
C63 C62 H62 120.4 . . ?
C61 C62 H62 120.4 . . ?
C62 C63 C64 119.2(8) . . ?
C62 C63 H63 120.4 . . ?
C64 C63 H63 120.4 . . ?
C65 C64 C63 119.3(8) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
N7 C65 C64 123.6(8) . . ?
N7 C65 H65 118.2 . . ?
C64 C65 H65 118.2 . . ?
C67 C66 C61 178.5(9) . . ?
C66 C67 Pt2 171.9(7) . . ?
N5 C71 Pt2 175.5(7) . . ?
N5 C72 C75 108.4(7) . . ?
N5 C72 C73 106.4(7) . . ?
C75 C72 C73 111.7(7) . . ?
N5 C72 C74 108.2(7) . . ?
C75 C72 C74 112.0(8) . . ?
C73 C72 C74 109.9(8) . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C72 C75 H75A 109.5 . . ?
C72 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C72 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
N6 C81 Pt2 177.2(8) . . ?
N6 C82 C84 107.7(8) . . ?
N6 C82 C85 106.6(7) . . ?
C84 C82 C85 113.2(8) . . ?
N6 C82 C83 105.4(7) . . ?
C84 C82 C83 112.5(7) . . ?
C85 C82 C83 110.9(8) . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C82 C84 H84A 109.5 . . ?
C82 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C82 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C82 C85 H85A 109.5 . . ?
C82 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C82 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 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
C15 N4 C11 C12 0.0(13) . . . . ?
C15 N4 C11 C16 -176.5(8) . . . . ?
N4 C11 C12 C13 0.1(13) . . . . ?
C16 C11 C12 C13 176.6(8) . . . . ?
C11 C12 C13 C14 1.2(13) . . . . ?
C12 C13 C14 C15 -2.6(13) . . . . ?
C11 N4 C15 C14 -1.7(14) . . . . ?
C13 C14 C15 N4 3.0(15) . . . . ?
C25 N3 C21 C22 -0.3(13) . . . . ?
C25 N3 C21 C26 179.5(8) . . . . ?
N3 C21 C22 C23 0.6(14) . . . . ?
C26 C21 C22 C23 -179.3(8) . . . . ?
C21 C22 C23 C24 -1.0(14) . . . . ?
C22 C23 C24 C25 1.1(14) . . . . ?
C21 N3 C25 C24 0.5(14) . . . . ?
C23 C24 C25 N3 -1.0(15) . . . . ?
C55 N8 C51 C52 1.1(14) . . . . ?
C55 N8 C51 C56 179.5(8) . . . . ?
N8 C51 C52 C53 -2.3(15) . . . . ?
C56 C51 C52 C53 179.3(8) . . . . ?
C51 C52 C53 C54 1.8(14) . . . . ?
C52 C53 C54 C55 -0.1(15) . . . . ?
C51 N8 C55 C54 0.7(15) . . . . ?
C53 C54 C55 N8 -1.1(16) . . . . ?
C65 N7 C61 C62 2.7(12) . . . . ?
C65 N7 C61 C66 -178.7(8) . . . . ?
N7 C61 C62 C63 -3.5(13) . . . . ?
C66 C61 C62 C63 177.9(8) . . . . ?
C61 C62 C63 C64 0.4(13) . . . . ?
C62 C63 C64 C65 3.3(13) . . . . ?
C61 N7 C65 C64 1.2(13) . . . . ?
C63 C64 C65 N7 -4.3(14) . . . . ?

_refine_diff_density_max         1.161
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.107



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

data_1-AgPF6
_database_code_depnum_ccdc_archive 'CCDC 2394179'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2024-11-08 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H56 Ag2 Cl4 F12 N8 P2 Pt2'
_chemical_formula_weight         1806.68

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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.611(5)
_cell_length_b                   13.011(6)
_cell_length_c                   21.235(9)
_cell_angle_alpha                90
_cell_angle_beta                 101.158(5)
_cell_angle_gamma                90
_cell_volume                     3147(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    3136
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      24.37

_exptl_crystal_description       Block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_F_000             1736
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    5.340
_shelx_estimated_absorpt_T_min   0.400
_shelx_estimated_absorpt_T_max   0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5620
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15284
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.845
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.028
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5558
_reflns_number_gt                4517
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0100P)²+37.2103P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5558
_refine_ls_number_parameters     361
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.0988
_refine_ls_wR_factor_gt          0.0936
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
P1S P 0.2453(2) 0.86319(18) 0.63280(11) 0.0228(5) Uani 1 1 d . . . . .
Ag1 Ag 0.54487(6) 0.38424(6) 0.46269(3) 0.03041(19) Uani 1 1 d . . . . .
Pt1 Pt 0.19918(3) 0.53341(3) 0.50820(2) 0.01896(10) Uani 1 1 d . . . . .
Cl1S Cl 0.2915(3) 0.1364(3) 0.3425(2) 0.0756(11) Uani 1 1 d . . . . .
Cl2S Cl 0.3286(3) 0.2961(3) 0.25376(18) 0.0710(10) Uani 1 1 d . . . . .
F1S F 0.2767(5) 0.8310(5) 0.7067(3) 0.0478(16) Uani 1 1 d . . . . .
F2S F 0.2131(5) 0.8970(4) 0.5594(2) 0.0331(13) Uani 1 1 d . . . . .
F3S F 0.3810(5) 0.8602(5) 0.6286(3) 0.0483(16) Uani 1 1 d . . . . .
F4S F 0.1087(5) 0.8678(5) 0.6364(3) 0.0416(15) Uani 1 1 d . . . . .
F5S F 0.2315(6) 0.7452(4) 0.6125(3) 0.0479(16) Uani 1 1 d . . . . .
F6S F 0.2578(5) 0.9822(4) 0.6525(3) 0.0435(15) Uani 1 1 d . . . . .
N1 N 0.0594(6) 0.7282(5) 0.4518(3) 0.0213(16) Uani 1 1 d . . . . .
N2 N 0.0676(6) 0.5408(6) 0.6234(3) 0.0233(16) Uani 1 1 d . . . . .
N3 N 0.5224(6) 0.4599(6) 0.3684(3) 0.0215(16) Uani 1 1 d . . . . .
N4 N 0.5179(6) 0.2481(6) 0.5191(3) 0.0236(17) Uani 1 1 d . . . . .
C1S C 0.3695(11) 0.2477(10) 0.3333(7) 0.071(4) Uani 1 1 d . . . . .
H1SA H 0.4546 0.2326 0.3427 0.086 Uiso 1 1 calc R U . . .
H1SB H 0.3536 0.3004 0.3641 0.086 Uiso 1 1 calc R U . . .
C10 C 0.1122(8) 0.6587(7) 0.4734(4) 0.025(2) Uani 1 1 d . . . . .
C11 C -0.0800(9) 0.8521(7) 0.4759(5) 0.033(2) Uani 1 1 d . . . . .
H11A H -0.1307 0.9104 0.4598 0.050 Uiso 1 1 calc R U . . .
H11B H -0.1282 0.7957 0.4873 0.050 Uiso 1 1 calc R U . . .
H11C H -0.0231 0.8733 0.5140 0.050 Uiso 1 1 calc R U . . .
C12 C 0.0668(8) 0.8983(8) 0.4063(5) 0.033(2) Uani 1 1 d . . . . .
H12A H 0.0202 0.9575 0.3876 0.050 Uiso 1 1 calc R U . . .
H12B H 0.1219 0.9200 0.4450 0.050 Uiso 1 1 calc R U . . .
H12C H 0.1106 0.8705 0.3751 0.050 Uiso 1 1 calc R U . . .
C13 C -0.0987(8) 0.7762(7) 0.3646(5) 0.033(2) Uani 1 1 d . . . . .
H13A H -0.1491 0.8326 0.3449 0.050 Uiso 1 1 calc R U . . .
H13B H -0.0536 0.7494 0.3336 0.050 Uiso 1 1 calc R U . . .
H13C H -0.1475 0.7213 0.3771 0.050 Uiso 1 1 calc R U . . .
C14 C -0.0147(7) 0.8158(7) 0.4238(4) 0.025(2) Uani 1 1 d . . . . .
C20 C 0.1143(7) 0.5331(7) 0.5802(4) 0.0214(19) Uani 1 1 d . . . . .
C21 C -0.0843(8) 0.6499(7) 0.6474(5) 0.030(2) Uani 1 1 d . . . . .
H21A H -0.1268 0.6723 0.6806 0.046 Uiso 1 1 calc R U . . .
H21B H -0.0458 0.7092 0.6319 0.046 Uiso 1 1 calc R U . . .
H21C H -0.1396 0.6192 0.6116 0.046 Uiso 1 1 calc R U . . .
C22 C 0.0996(9) 0.6185(8) 0.7284(5) 0.037(2) Uani 1 1 d . . . . .
H22A H 0.0625 0.6395 0.7640 0.056 Uiso 1 1 calc R U . . .
H22B H 0.1614 0.5681 0.7436 0.056 Uiso 1 1 calc R U . . .
H22C H 0.1340 0.6788 0.7114 0.056 Uiso 1 1 calc R U . . .
C23 C -0.0453(9) 0.4751(8) 0.6990(5) 0.036(2) Uani 1 1 d . . . . .
H23A H -0.0857 0.4935 0.7339 0.054 Uiso 1 1 calc R U . . .
H23B H -0.1016 0.4445 0.6636 0.054 Uiso 1 1 calc R U . . .
H23C H 0.0171 0.4254 0.7148 0.054 Uiso 1 1 calc R U . . .
C24 C 0.0077(8) 0.5707(7) 0.6755(4) 0.025(2) Uani 1 1 d . . . . .
C30 C 0.2985(8) 0.5399(6) 0.4416(4) 0.0239(19) Uani 1 1 d . . . . .
C31 C 0.3614(7) 0.5387(7) 0.4025(4) 0.0233(19) Uani 1 1 d . . . . .
C32 C 0.4376(7) 0.5329(7) 0.3567(4) 0.0191(18) Uani 1 1 d . . . . .
C33 C 0.4247(8) 0.5972(8) 0.3039(5) 0.033(2) Uani 1 1 d . . . . .
H33A H 0.3646 0.6478 0.2969 0.040 Uiso 1 1 calc R U . . .
C34 C 0.5006(8) 0.5866(8) 0.2616(5) 0.034(2) Uani 1 1 d . . . . .
H34A H 0.4944 0.6307 0.2254 0.040 Uiso 1 1 calc R U . . .
C35 C 0.5854(8) 0.5113(7) 0.2727(4) 0.030(2) Uani 1 1 d . . . . .
H35A H 0.6377 0.5016 0.2439 0.036 Uiso 1 1 calc R U . . .
C36 C 0.5930(8) 0.4500(7) 0.3266(4) 0.026(2) Uani 1 1 d . . . . .
H36A H 0.6519 0.3983 0.3340 0.032 Uiso 1 1 calc R U . . .
C40 C 0.2871(7) 0.4055(7) 0.5340(4) 0.023(2) Uani 1 1 d . . . . .
C41 C 0.3493(7) 0.3282(7) 0.5434(4) 0.0200(19) Uani 1 1 d . . . . .
C42 C 0.4285(7) 0.2441(7) 0.5515(4) 0.0195(19) Uani 1 1 d . . . . .
C43 C 0.4142(8) 0.1600(7) 0.5899(5) 0.029(2) Uani 1 1 d . . . . .
H43A H 0.3497 0.1573 0.6114 0.034 Uiso 1 1 calc R U . . .
C44 C 0.4945(8) 0.0805(8) 0.5964(5) 0.037(3) Uani 1 1 d . . . . .
H44A H 0.4868 0.0232 0.6231 0.044 Uiso 1 1 calc R U . . .
C45 C 0.5861(9) 0.0857(8) 0.5637(5) 0.039(3) Uani 1 1 d . . . . .
H45A H 0.6422 0.0319 0.5671 0.046 Uiso 1 1 calc R U . . .
C46 C 0.5943(8) 0.1687(7) 0.5268(5) 0.031(2) Uani 1 1 d . . . . .
H46A H 0.6580 0.1715 0.5047 0.037 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1S F2S 1.593(5) . ?
P1S F5S 1.594(6) . ?
P1S F3S 1.595(6) . ?
P1S F1S 1.598(6) . ?
P1S F6S 1.603(6) . ?
P1S F4S 1.604(6) . ?
Ag1 N4 2.195(7) . ?
Ag1 N3 2.201(7) . ?
Ag1 C30 2.642(9) 3_666 ?
Ag1 Pt1 3.1065(14) 3_666 ?
Pt1 C20 1.973(9) . ?
Pt1 C40 1.974(9) . ?
Pt1 C10 1.983(10) . ?
Pt1 C30 1.992(8) . ?
Pt1 Ag1 3.1065(14) 3_666 ?
Cl1S C1S 1.738(13) . ?
Cl2S C1S 1.778(15) . ?
N1 C10 1.138(11) . ?
N1 C14 1.482(11) . ?
N2 C20 1.156(10) . ?
N2 C24 1.468(10) . ?
N3 C36 1.327(10) . ?
N3 C32 1.356(11) . ?
N4 C46 1.351(11) . ?
N4 C42 1.352(10) . ?
C1S H1SA 0.9900 . ?
C1S H1SB 0.9900 . ?
C11 C14 1.532(12) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.523(13) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.525(13) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C21 C24 1.521(12) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.524(13) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.515(12) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C30 C31 1.208(11) . ?
C30 Ag1 2.641(9) 3_666 ?
C31 C32 1.437(11) . ?
C32 C33 1.383(12) . ?
C33 C34 1.383(12) . ?
C33 H33A 0.9500 . ?
C34 C35 1.376(13) . ?
C34 H34A 0.9500 . ?
C35 C36 1.384(13) . ?
C35 H35A 0.9500 . ?
C36 H36A 0.9500 . ?
C40 C41 1.233(12) . ?
C41 C42 1.418(12) . ?
C42 C43 1.393(12) . ?
C43 C44 1.381(13) . ?
C43 H43A 0.9500 . ?
C44 C45 1.380(13) . ?
C44 H44A 0.9500 . ?
C45 C46 1.349(14) . ?
C45 H45A 0.9500 . ?
C46 H46A 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
F2S P1S F5S 90.6(3) . . ?
F2S P1S F3S 90.0(3) . . ?
F5S P1S F3S 90.6(4) . . ?
F2S P1S F1S 179.0(4) . . ?
F5S P1S F1S 90.3(3) . . ?
F3S P1S F1S 90.5(3) . . ?
F2S P1S F6S 88.9(3) . . ?
F5S P1S F6S 179.3(4) . . ?
F3S P1S F6S 89.9(3) . . ?
F1S P1S F6S 90.3(3) . . ?
F2S P1S F4S 89.4(3) . . ?
F5S P1S F4S 90.0(3) . . ?
F3S P1S F4S 179.2(4) . . ?
F1S P1S F4S 90.1(3) . . ?
F6S P1S F4S 89.5(3) . . ?
N4 Ag1 N3 148.6(3) . . ?
N4 Ag1 C30 91.8(3) . 3_666 ?
N3 Ag1 C30 118.4(3) . 3_666 ?
N4 Ag1 Pt1 113.70(19) . 3_666 ?
N3 Ag1 Pt1 88.14(18) . 3_666 ?
C30 Ag1 Pt1 39.52(18) 3_666 3_666 ?
C20 Pt1 C40 95.3(3) . . ?
C20 Pt1 C10 89.8(3) . . ?
C40 Pt1 C10 174.3(3) . . ?
C20 Pt1 C30 174.2(4) . . ?
C40 Pt1 C30 83.9(3) . . ?
C10 Pt1 C30 91.3(3) . . ?
C20 Pt1 Ag1 116.7(2) . 3_666 ?
C40 Pt1 Ag1 79.2(2) . 3_666 ?
C10 Pt1 Ag1 100.9(2) . 3_666 ?
C30 Pt1 Ag1 57.5(3) . 3_666 ?
C10 N1 C14 177.2(9) . . ?
C20 N2 C24 169.5(9) . . ?
C36 N3 C32 117.8(7) . . ?
C36 N3 Ag1 125.9(6) . . ?
C32 N3 Ag1 115.7(5) . . ?
C46 N4 C42 117.4(8) . . ?
C46 N4 Ag1 121.5(6) . . ?
C42 N4 Ag1 120.9(6) . . ?
Cl1S C1S Cl2S 110.6(8) . . ?
Cl1S C1S H1SA 109.5 . . ?
Cl2S C1S H1SA 109.5 . . ?
Cl1S C1S H1SB 109.5 . . ?
Cl2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 108.1 . . ?
N1 C10 Pt1 177.3(8) . . ?
C14 C11 H11A 109.5 . . ?
C14 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C14 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 H12A 109.5 . . ?
C14 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C14 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N1 C14 C12 107.5(7) . . ?
N1 C14 C13 107.5(7) . . ?
C12 C14 C13 111.4(8) . . ?
N1 C14 C11 106.1(7) . . ?
C12 C14 C11 112.1(8) . . ?
C13 C14 C11 111.9(7) . . ?
N2 C20 Pt1 174.6(8) . . ?
C24 C21 H21A 109.5 . . ?
C24 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C24 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 H22A 109.5 . . ?
C24 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C24 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N2 C24 C23 108.2(7) . . ?
N2 C24 C21 106.4(7) . . ?
C23 C24 C21 112.7(8) . . ?
N2 C24 C22 107.3(7) . . ?
C23 C24 C22 111.3(8) . . ?
C21 C24 C22 110.5(8) . . ?
C31 C30 Pt1 176.3(8) . . ?
C31 C30 Ag1 96.7(7) . 3_666 ?
Pt1 C30 Ag1 82.9(3) . 3_666 ?
C30 C31 C32 177.6(10) . . ?
N3 C32 C33 122.2(7) . . ?
N3 C32 C31 115.6(7) . . ?
C33 C32 C31 122.2(8) . . ?
C32 C33 C34 119.0(9) . . ?
C32 C33 H33A 120.5 . . ?
C34 C33 H33A 120.5 . . ?
C35 C34 C33 118.9(9) . . ?
C35 C34 H34A 120.5 . . ?
C33 C34 H34A 120.5 . . ?
C34 C35 C36 118.8(8) . . ?
C34 C35 H35A 120.6 . . ?
C36 C35 H35A 120.6 . . ?
N3 C36 C35 123.3(9) . . ?
N3 C36 H36A 118.4 . . ?
C35 C36 H36A 118.4 . . ?
C41 C40 Pt1 171.5(7) . . ?
C40 C41 C42 174.7(9) . . ?
N4 C42 C43 121.2(8) . . ?
N4 C42 C41 116.8(8) . . ?
C43 C42 C41 122.0(8) . . ?
C44 C43 C42 119.5(8) . . ?
C44 C43 H43A 120.2 . . ?
C42 C43 H43A 120.2 . . ?
C45 C44 C43 118.9(9) . . ?
C45 C44 H44A 120.5 . . ?
C43 C44 H44A 120.5 . . ?
C46 C45 C44 118.7(9) . . ?
C46 C45 H45A 120.6 . . ?
C44 C45 H45A 120.6 . . ?
C45 C46 N4 124.3(8) . . ?
C45 C46 H46A 117.9 . . ?
N4 C46 H46A 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
C20 N2 C24 C23 164(4) . . . . ?
C20 N2 C24 C21 42(5) . . . . ?
C20 N2 C24 C22 -76(5) . . . . ?
C36 N3 C32 C33 -1.1(13) . . . . ?
Ag1 N3 C32 C33 170.3(7) . . . . ?
C36 N3 C32 C31 178.4(8) . . . . ?
Ag1 N3 C32 C31 -10.1(10) . . . . ?
N3 C32 C33 C34 0.1(15) . . . . ?
C31 C32 C33 C34 -179.5(9) . . . . ?
C32 C33 C34 C35 1.1(15) . . . . ?
C33 C34 C35 C36 -1.2(15) . . . . ?
C32 N3 C36 C35 1.0(13) . . . . ?
Ag1 N3 C36 C35 -169.5(7) . . . . ?
C34 C35 C36 N3 0.2(15) . . . . ?
C46 N4 C42 C43 -1.7(13) . . . . ?
Ag1 N4 C42 C43 -176.9(7) . . . . ?
C46 N4 C42 C41 179.6(8) . . . . ?
Ag1 N4 C42 C41 4.4(11) . . . . ?
N4 C42 C43 C44 1.9(14) . . . . ?
C41 C42 C43 C44 -179.5(9) . . . . ?
C42 C43 C44 C45 -1.2(16) . . . . ?
C43 C44 C45 C46 0.5(16) . . . . ?
C44 C45 C46 N4 -0.4(17) . . . . ?
C42 N4 C46 C45 1.0(15) . . . . ?
Ag1 N4 C46 C45 176.1(8) . . . . ?

_refine_diff_density_max         1.939
_refine_diff_density_min         -1.936
_refine_diff_density_rms         0.182

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

data_2
_database_code_depnum_ccdc_archive 'CCDC 2394177'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2024-10-28 deposited with the CCDC.	2025-03-18 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         ?
_chemical_formula_sum            'C36 H38 N4 Pt'
_chemical_formula_weight         721.79

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_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'
'-x, -y, -z'

_cell_length_a                   11.975(3)
_cell_length_b                   15.698(4)
_cell_length_c                   19.951(5)
_cell_angle_alpha                79.386(3)
_cell_angle_beta                 84.090(4)
_cell_angle_gamma                71.728(3)
_cell_volume                     3496.4(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7652
_cell_measurement_theta_min      2.57
_cell_measurement_theta_max      21.05

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_F_000             1440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.030
_exptl_absorpt_coefficient_mu    4.040
_shelx_estimated_absorpt_T_min   0.564
_shelx_estimated_absorpt_T_max   0.888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5970
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            43231
_diffrn_reflns_av_unetI/netI     0.0661
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.040
_diffrn_reflns_theta_max         25.681
_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 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             13257
_reflns_number_gt                9388
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_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)+(0.0320P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         13257
_refine_ls_number_parameters     821
_refine_ls_number_restraints     2178
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0360
_refine_ls_wR_factor_ref         0.0791
_refine_ls_wR_factor_gt          0.0703
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_restrained_S_all      1.188
_refine_ls_shift/su_max          0.003
_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
Pt1A Pt 0.42948(2) 0.54327(2) 0.38208(2) 0.03266(7) Uani 1 1 d . U . . .
Pt1 Pt 0.93721(2) 0.00289(2) 0.10135(2) 0.03528(7) Uani 1 1 d . U . . .
N1A N 0.6167(4) 0.6272(3) 0.4163(2) 0.0436(12) Uani 1 1 d . U . . .
N2A N 0.6088(4) 0.3517(3) 0.4234(2) 0.0444(12) Uani 1 1 d . U . . .
N3A N 0.1960(5) 0.3323(4) 0.3108(3) 0.0572(14) Uani 1 1 d . U . . .
C46A C 0.0767(5) 0.8448(4) 0.2841(3) 0.0429(14) Uani 1 1 d . U . . .
H46A H 0.050955 0.794079 0.281679 0.051 Uiso 1 1 calc R U . . .
N1 N 1.1179(4) -0.1833(3) 0.0802(2) 0.0438(12) Uani 1 1 d . U . . .
N2 N 1.1342(4) 0.0963(3) 0.0813(2) 0.0375(11) Uani 1 1 d . U . . .
C36 C 0.7287(5) -0.2607(4) 0.1649(3) 0.0470(15) Uani 1 1 d . U . . .
H36B H 0.803880 -0.283839 0.143258 0.056 Uiso 1 1 calc R U . . .
N4 N 0.7425(4) 0.3324(3) 0.1730(2) 0.0428(12) Uani 1 1 d . U . . .
C1A C 0.5448(5) 0.5979(4) 0.4056(3) 0.0396(13) Uani 1 1 d . U . . .
C2A C 0.5383(5) 0.4207(4) 0.4103(3) 0.0382(13) Uani 1 1 d . U . . .
C10A C 0.7147(5) 0.6597(4) 0.4263(3) 0.0419(13) Uani 1 1 d D U . . .
C11A C 0.6949(5) 0.6956(4) 0.4933(3) 0.0575(16) Uani 1 1 d D U . . .
H11A H 0.688927 0.646913 0.531501 0.069 Uiso 1 1 calc R U . . .
H11B H 0.620588 0.746252 0.493111 0.069 Uiso 1 1 calc R U . . .
C12A C 0.7280(5) 0.7288(4) 0.3664(3) 0.0644(18) Uani 1 1 d D U . . .
H12A H 0.654575 0.780339 0.361662 0.077 Uiso 1 1 calc R U . . .
H12B H 0.743321 0.701423 0.324171 0.077 Uiso 1 1 calc R U . . .
C13A C 0.8275(5) 0.5778(4) 0.4303(4) 0.0638(18) Uani 1 1 d D U . . .
H13A H 0.840811 0.551150 0.387863 0.077 Uiso 1 1 calc R U . . .
H13B H 0.819352 0.530531 0.469220 0.077 Uiso 1 1 calc R U . . .
C14A C 0.9327(5) 0.6114(4) 0.4400(3) 0.0663(18) Uani 1 1 d D U . . .
H14A H 1.006974 0.559296 0.442449 0.080 Uiso 1 1 calc R U . . .
C15A C 0.9435(5) 0.6832(4) 0.3813(3) 0.0684(18) Uani 1 1 d D U . . .
H15A H 0.958521 0.657585 0.338307 0.082 Uiso 1 1 calc R U . . .
H15B H 1.010854 0.704517 0.387269 0.082 Uiso 1 1 calc R U . . .
C16A C 0.8313(5) 0.7627(5) 0.3770(3) 0.0683(19) Uani 1 1 d D U . . .
H16A H 0.839451 0.810417 0.337683 0.082 Uiso 1 1 calc R U . . .
C17A C 0.8074(6) 0.8028(4) 0.4432(3) 0.0718(19) Uani 1 1 d D U . . .
H17A H 0.871483 0.827591 0.449338 0.086 Uiso 1 1 calc R U . . .
H17B H 0.732458 0.852986 0.441019 0.086 Uiso 1 1 calc R U . . .
C18A C 0.8001(5) 0.7295(4) 0.5025(3) 0.0623(18) Uani 1 1 d D U . . .
H18A H 0.787322 0.754902 0.546090 0.075 Uiso 1 1 calc R U . . .
C19A C 0.9096(5) 0.6493(4) 0.5057(3) 0.0657(18) Uani 1 1 d D U . . .
H19A H 0.977574 0.668232 0.514311 0.079 Uiso 1 1 calc R U . . .
H19B H 0.900176 0.601654 0.544001 0.079 Uiso 1 1 calc R U . . .
C20A C 0.7042(4) 0.2662(3) 0.4327(3) 0.0387(13) Uani 1 1 d D U . . .
C21A C 0.7777(9) 0.2637(7) 0.4905(5) 0.060(3) Uani 0.526(6) 1 d D U P A 1
H21A H 0.728580 0.269392 0.533498 0.072 Uiso 0.526(6) 1 calc R U P A 1
H21B H 0.812612 0.314399 0.480388 0.072 Uiso 0.526(6) 1 calc R U P A 1
C22A C 0.6498(7) 0.1907(6) 0.4412(6) 0.048(3) Uani 0.526(6) 1 d D U P A 1
H22A H 0.603370 0.196877 0.401290 0.057 Uiso 0.526(6) 1 calc R U P A 1
H22B H 0.597262 0.191338 0.482860 0.057 Uiso 0.526(6) 1 calc R U P A 1
C23A C 0.7837(8) 0.2615(6) 0.3652(4) 0.044(3) Uani 0.526(6) 1 d D U P A 1
H23A H 0.736324 0.263681 0.326682 0.053 Uiso 0.526(6) 1 calc R U P A 1
H23B H 0.814398 0.314346 0.355165 0.053 Uiso 0.526(6) 1 calc R U P A 1
C24A C 0.8861(9) 0.1736(7) 0.3726(6) 0.043(3) Uani 0.526(6) 1 d D U P A 1
H24A H 0.938457 0.172069 0.330159 0.052 Uiso 0.526(6) 1 calc R U P A 1
C25A C 0.8315(11) 0.0967(8) 0.3817(6) 0.045(3) Uani 0.526(6) 1 d D U P A 1
H25A H 0.893760 0.037379 0.385298 0.054 Uiso 0.526(6) 1 calc R U P A 1
H25B H 0.784357 0.103124 0.342079 0.054 Uiso 0.526(6) 1 calc R U P A 1
C26A C 0.7530(9) 0.1020(7) 0.4468(6) 0.054(3) Uani 0.526(6) 1 d D U P A 1
H26A H 0.719382 0.050044 0.454094 0.065 Uiso 0.526(6) 1 calc R U P A 1
C27A C 0.8216(11) 0.0937(8) 0.5088(7) 0.069(4) Uani 0.526(6) 1 d D U P A 1
H27A H 0.884623 0.034700 0.514875 0.082 Uiso 0.526(6) 1 calc R U P A 1
H27B H 0.768629 0.096643 0.550320 0.082 Uiso 0.526(6) 1 calc R U P A 1
C28A C 0.8753(10) 0.1718(8) 0.4974(7) 0.062(4) Uani 0.526(6) 1 d D U P A 1
H28A H 0.922320 0.166064 0.537467 0.075 Uiso 0.526(6) 1 calc R U P A 1
C29A C 0.9562(9) 0.1675(9) 0.4333(6) 0.060(3) Uani 0.526(6) 1 d D U P A 1
H29A H 0.990564 0.218394 0.425997 0.071 Uiso 0.526(6) 1 calc R U P A 1
H29B H 1.021377 0.109747 0.438574 0.071 Uiso 0.526(6) 1 calc R U P A 1
C31A C 0.1675(5) 0.4232(4) 0.3067(3) 0.0446(14) Uani 1 1 d . U . . .
C33A C 0.1180(7) 0.2990(6) 0.2869(3) 0.074(2) Uani 1 1 d . U . . .
H33A H 0.135248 0.234964 0.291130 0.089 Uiso 1 1 calc R U . . .
C34A C 0.0157(7) 0.3535(7) 0.2569(4) 0.087(3) Uani 1 1 d . U . . .
H34A H -0.035863 0.327621 0.240471 0.104 Uiso 1 1 calc R U . . .
C35A C -0.0099(6) 0.4449(6) 0.2514(4) 0.082(2) Uani 1 1 d . U . . .
H35A H -0.079669 0.483967 0.230702 0.098 Uiso 1 1 calc R U . . .
C36A C 0.0660(5) 0.4806(5) 0.2760(3) 0.0622(18) Uani 1 1 d . U . . .
H36A H 0.048846 0.544563 0.271947 0.075 Uiso 1 1 calc R U . . .
C37A C 0.2632(5) 0.7410(4) 0.3279(3) 0.0374(13) Uani 1 1 d . U . . .
C38A C 0.3238(4) 0.6661(4) 0.3489(3) 0.0353(13) Uani 1 1 d . U . . .
C41A C 0.1866(5) 0.8322(4) 0.3064(3) 0.0387(13) Uani 1 1 d . U . . .
N4A N 0.2302(4) 0.9011(3) 0.3095(2) 0.0518(13) Uani 1 1 d . U . . .
C43A C 0.1585(7) 0.9854(4) 0.2908(3) 0.0665(19) Uani 1 1 d . U . . .
H43A H 0.186008 1.035236 0.293194 0.080 Uiso 1 1 calc R U . . .
C44A C 0.0469(7) 1.0038(4) 0.2682(3) 0.068(2) Uani 1 1 d . U . . .
H44A H -0.000015 1.064726 0.254725 0.082 Uiso 1 1 calc R U . . .
C45A C 0.0045(6) 0.9321(4) 0.2654(3) 0.0593(18) Uani 1 1 d . U . . .
H45A H -0.072519 0.942793 0.250939 0.071 Uiso 1 1 calc R U . . .
C47A C 0.2483(4) 0.4582(3) 0.3331(3) 0.0352(12) Uani 1 1 d . U . . .
C48A C 0.3145(4) 0.4903(3) 0.3533(3) 0.0340(12) Uani 1 1 d . U . . .
C1 C 1.0499(5) -0.1138(4) 0.0829(3) 0.0422(14) Uani 1 1 d . U . . .
C2 C 1.0601(5) 0.0637(3) 0.0856(3) 0.0353(12) Uani 1 1 d . U . . .
C10 C 1.2030(4) -0.2717(3) 0.0825(3) 0.0325(12) Uani 1 1 d . U . . .
C11 C 1.2654(6) -0.2980(5) 0.1484(3) 0.077(2) Uani 1 1 d . U . . .
H11C H 1.207389 -0.299250 0.187436 0.093 Uiso 1 1 calc R U . . .
H11D H 1.304670 -0.252379 0.152247 0.093 Uiso 1 1 calc R U . . .
C12 C 1.2910(5) -0.2720(5) 0.0222(4) 0.082(2) Uani 1 1 d . U . . .
H12C H 1.332445 -0.226847 0.023568 0.099 Uiso 1 1 calc R U . . .
H12D H 1.249165 -0.254767 -0.020849 0.099 Uiso 1 1 calc R U . . .
C13 C 1.1385(5) -0.3385(4) 0.0780(4) 0.0626(19) Uani 1 1 d . U . . .
H13C H 1.098145 -0.321986 0.034457 0.075 Uiso 1 1 calc R U . . .
H13D H 1.078582 -0.338163 0.116135 0.075 Uiso 1 1 calc R U . . .
C14 C 1.2322(6) -0.4359(4) 0.0819(5) 0.077(2) Uani 1 1 d . U . . .
H14B H 1.191833 -0.482485 0.080530 0.093 Uiso 1 1 calc R U . . .
C15 C 1.3180(7) -0.4342(6) 0.0223(4) 0.097(3) Uani 1 1 d . U . . .
H15C H 1.374485 -0.495744 0.022457 0.116 Uiso 1 1 calc R U . . .
H15D H 1.275436 -0.417098 -0.020446 0.116 Uiso 1 1 calc R U . . .
C16 C 1.3830(5) -0.3692(5) 0.0243(3) 0.073(2) Uani 1 1 d . U . . .
H16B H 1.441723 -0.369943 -0.015199 0.087 Uiso 1 1 calc R U . . .
C17 C 1.4444(5) -0.3922(5) 0.0923(4) 0.0695(19) Uani 1 1 d . U . . .
H17C H 1.503699 -0.452921 0.095379 0.083 Uiso 1 1 calc R U . . .
H17D H 1.485674 -0.347063 0.094110 0.083 Uiso 1 1 calc R U . . .
C18 C 1.2939(6) -0.4571(5) 0.1482(4) 0.077(2) Uani 1 1 d . U . . .
H18B H 1.235194 -0.455621 0.187067 0.092 Uiso 1 1 calc R U . . .
H18C H 1.350401 -0.519112 0.152532 0.092 Uiso 1 1 calc R U . . .
C19 C 1.3568(6) -0.3916(4) 0.1509(3) 0.0607(18) Uani 1 1 d . U . . .
H19C H 1.398210 -0.407957 0.194664 0.073 Uiso 1 1 calc R U . . .
C20 C 1.2348(4) 0.1307(3) 0.0782(3) 0.0359(12) Uani 1 1 d . U . . .
C21 C 1.2374(5) 0.1636(4) 0.1455(3) 0.0496(15) Uani 1 1 d . U . . .
H21C H 1.242896 0.113126 0.184174 0.060 Uiso 1 1 calc R U . . .
H21D H 1.164326 0.213195 0.152697 0.060 Uiso 1 1 calc R U . . .
C22 C 1.2229(5) 0.2072(4) 0.0192(3) 0.0510(15) Uani 1 1 d . U . . .
H22C H 1.149824 0.257091 0.025784 0.061 Uiso 1 1 calc R U . . .
H22D H 1.218670 0.185639 -0.023827 0.061 Uiso 1 1 calc R U . . .
C23 C 1.3460(5) 0.0511(4) 0.0694(4) 0.0616(18) Uani 1 1 d . U . . .
H23C H 1.351291 0.001082 0.108420 0.074 Uiso 1 1 calc R U . . .
H23D H 1.344090 0.027563 0.026880 0.074 Uiso 1 1 calc R U . . .
C24 C 1.4514(5) 0.0874(5) 0.0660(4) 0.072(2) Uani 1 1 d . U . . .
H24B H 1.525251 0.037047 0.059366 0.087 Uiso 1 1 calc R U . . .
C25 C 1.4417(7) 0.1620(6) 0.0067(4) 0.089(2) Uani 1 1 d . U . . .
H25C H 1.438596 0.138882 -0.035810 0.107 Uiso 1 1 calc R U . . .
H25D H 1.512143 0.183179 0.002667 0.107 Uiso 1 1 calc R U . . .
C26 C 1.3310(7) 0.2417(5) 0.0153(4) 0.073(2) Uani 1 1 d . U . . .
H26B H 1.326204 0.292271 -0.023927 0.087 Uiso 1 1 calc R U . . .
C27 C 1.3345(6) 0.2746(4) 0.0829(4) 0.0656(18) Uani 1 1 d . U . . .
H27C H 1.402633 0.298186 0.080875 0.079 Uiso 1 1 calc R U . . .
H27D H 1.261913 0.324746 0.089696 0.079 Uiso 1 1 calc R U . . .
C28 C 1.3448(5) 0.1980(4) 0.1417(3) 0.0499(15) Uani 1 1 d . U . . .
H28B H 1.347474 0.220412 0.185143 0.060 Uiso 1 1 calc R U . . .
C29 C 1.4565(5) 0.1207(5) 0.1319(4) 0.0662(19) Uani 1 1 d . U . . .
H29C H 1.526295 0.142347 0.129869 0.079 Uiso 1 1 calc R U . . .
H29D H 1.463393 0.070443 0.170836 0.079 Uiso 1 1 calc R U . . .
C31 C 0.6861(5) -0.1712(4) 0.1727(3) 0.0412(13) Uani 1 1 d . U . . .
N3 N 0.5820(5) -0.1361(4) 0.2039(3) 0.0722(17) Uani 1 1 d . U . . .
C33 C 0.5177(7) -0.1934(6) 0.2288(4) 0.082(2) Uani 1 1 d . U . . .
H33B H 0.444505 -0.170153 0.252482 0.099 Uiso 1 1 calc R U . . .
C34 C 0.5529(7) -0.2820(6) 0.2214(3) 0.069(2) Uani 1 1 d . U . . .
H34B H 0.504137 -0.319464 0.238347 0.082 Uiso 1 1 calc R U . . .
C35 C 0.6594(7) -0.3166(5) 0.1894(3) 0.0630(18) Uani 1 1 d . U . . .
H35B H 0.685926 -0.378702 0.183890 0.076 Uiso 1 1 calc R U . . .
C37 C 0.7552(5) -0.1099(4) 0.1470(3) 0.0459(15) Uani 1 1 d . U . . .
C38 C 0.8178(5) -0.0633(4) 0.1264(3) 0.0478(15) Uani 1 1 d . U . . .
C41 C 0.6989(4) 0.2601(4) 0.1824(3) 0.0385(13) Uani 1 1 d . U . . .
C46 C 0.5921(5) 0.2638(5) 0.2174(3) 0.0566(17) Uani 1 1 d . U . . .
H46B H 0.562809 0.213144 0.222557 0.068 Uiso 1 1 calc R U . . .
C43 C 0.6778(6) 0.4057(4) 0.1999(3) 0.0601(18) Uani 1 1 d . U . . .
H43B H 0.707153 0.456336 0.194156 0.072 Uiso 1 1 calc R U . . .
C44 C 0.5710(6) 0.4120(5) 0.2354(3) 0.071(2) Uani 1 1 d . U . . .
H44B H 0.528094 0.465789 0.253016 0.085 Uiso 1 1 calc R U . . .
C45 C 0.5282(6) 0.3390(6) 0.2447(3) 0.072(2) Uani 1 1 d . U . . .
H45B H 0.455657 0.340847 0.269538 0.087 Uiso 1 1 calc R U . . .
C47 C 0.7709(5) 0.1811(4) 0.1549(3) 0.0355(13) Uani 1 1 d . U . . .
C48 C 0.8273(4) 0.1142(4) 0.1320(3) 0.0343(12) Uani 1 1 d . U . . .
C21B C 0.6787(8) 0.2079(6) 0.5018(5) 0.041(3) Uani 0.474(6) 1 d D U P A 2
H21E H 0.672540 0.241329 0.540226 0.049 Uiso 0.474(6) 1 calc R U P A 2
H21F H 0.603824 0.194112 0.500568 0.049 Uiso 0.474(6) 1 calc R U P A 2
C22B C 0.7076(9) 0.2175(6) 0.3754(5) 0.037(3) Uani 0.474(6) 1 d D U P A 2
H22E H 0.717971 0.255409 0.331081 0.044 Uiso 0.474(6) 1 calc R U P A 2
H22F H 0.633947 0.201363 0.375536 0.044 Uiso 0.474(6) 1 calc R U P A 2
C23B C 0.8152(8) 0.2894(7) 0.4386(7) 0.044(3) Uani 0.474(6) 1 d D U P A 2
H23E H 0.806436 0.322226 0.477639 0.052 Uiso 0.474(6) 1 calc R U P A 2
H23F H 0.831349 0.329012 0.396479 0.052 Uiso 0.474(6) 1 calc R U P A 2
C24B C 0.9166(10) 0.2007(8) 0.4494(7) 0.050(3) Uani 0.474(6) 1 d D U P A 2
H24C H 0.991215 0.215591 0.451784 0.060 Uiso 0.474(6) 1 calc R U P A 2
C25B C 0.9282(10) 0.1518(10) 0.3889(7) 0.048(4) Uani 0.474(6) 1 d D U P A 2
H25E H 0.942855 0.190617 0.345969 0.058 Uiso 0.474(6) 1 calc R U P A 2
H25F H 0.994303 0.094623 0.394351 0.058 Uiso 0.474(6) 1 calc R U P A 2
C26B C 0.8134(10) 0.1318(7) 0.3874(7) 0.046(3) Uani 0.474(6) 1 d D U P A 2
H26C H 0.820732 0.098971 0.347926 0.055 Uiso 0.474(6) 1 calc R U P A 2
C27B C 0.7905(12) 0.0676(7) 0.4521(7) 0.052(4) Uani 0.474(6) 1 d D U P A 2
H27E H 0.716377 0.053299 0.449519 0.062 Uiso 0.474(6) 1 calc R U P A 2
H27F H 0.856109 0.010165 0.458155 0.062 Uiso 0.474(6) 1 calc R U P A 2
C28B C 0.7817(10) 0.1201(7) 0.5105(7) 0.047(3) Uani 0.474(6) 1 d D U P A 2
H28C H 0.766568 0.081407 0.554112 0.056 Uiso 0.474(6) 1 calc R U P A 2
C29B C 0.8953(10) 0.1416(9) 0.5160(7) 0.052(4) Uani 0.474(6) 1 d D U P A 2
H29E H 0.961689 0.084824 0.523344 0.062 Uiso 0.474(6) 1 calc R U P A 2
H29F H 0.888308 0.174390 0.554895 0.062 Uiso 0.474(6) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A C1A 1.972(6) . ?
Pt1A C2A 1.975(5) . ?
Pt1A C38A 1.982(5) . ?
Pt1A C48A 1.993(6) . ?
Pt1 C2 1.963(6) . ?
Pt1 C1 1.977(6) . ?
Pt1 C48 1.986(6) . ?
Pt1 C38 1.992(6) . ?
N1A C1A 1.149(6) . ?
N1A C10A 1.462(7) . ?
N2A C2A 1.149(6) . ?
N2A C20A 1.460(6) . ?
N3A C31A 1.347(7) . ?
N3A C33A 1.365(8) . ?
C46A C41A 1.376(7) . ?
C46A C45A 1.378(7) . ?
C46A H46A 0.9500 . ?
N1 C1 1.145(6) . ?
N1 C10 1.437(6) . ?
N2 C2 1.144(6) . ?
N2 C20 1.458(6) . ?
C36 C31 1.369(7) . ?
C36 C35 1.382(8) . ?
C36 H36B 0.9500 . ?
N4 C43 1.340(7) . ?
N4 C41 1.366(7) . ?
C10A C12A 1.490(7) . ?
C10A C11A 1.512(7) . ?
C10A C13A 1.542(7) . ?
C11A C18A 1.552(7) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C12A C16A 1.538(7) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C13A C14A 1.552(7) . ?
C13A H13A 0.9900 . ?
C13A H13B 0.9900 . ?
C14A C15A 1.495(7) . ?
C14A C19A 1.503(7) . ?
C14A H14A 1.0000 . ?
C15A C16A 1.517(7) . ?
C15A H15A 0.9900 . ?
C15A H15B 0.9900 . ?
C16A C17A 1.529(8) . ?
C16A H16A 1.0000 . ?
C17A C18A 1.507(7) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A C19A 1.503(7) . ?
C18A H18A 1.0000 . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
C20A C22B 1.480(9) . ?
C20A C22A 1.499(9) . ?
C20A C23B 1.504(9) . ?
C20A C21A 1.509(9) . ?
C20A C21B 1.566(9) . ?
C20A C23A 1.567(9) . ?
C21A C28A 1.540(11) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C22A C26A 1.539(10) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C23A C24A 1.527(10) . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C24A C29A 1.515(11) . ?
C24A C25A 1.520(11) . ?
C24A H24A 1.0000 . ?
C25A C26A 1.522(11) . ?
C25A H25A 0.9900 . ?
C25A H25B 0.9900 . ?
C26A C27A 1.517(11) . ?
C26A H26A 1.0000 . ?
C27A C28A 1.526(12) . ?
C27A H27A 0.9900 . ?
C27A H27B 0.9900 . ?
C28A C29A 1.521(11) . ?
C28A H28A 1.0000 . ?
C29A H29A 0.9900 . ?
C29A H29B 0.9900 . ?
C31A C36A 1.389(8) . ?
C31A C47A 1.434(7) . ?
C33A C34A 1.377(10) . ?
C33A H33A 0.9500 . ?
C34A C35A 1.355(10) . ?
C34A H34A 0.9500 . ?
C35A C36A 1.375(9) . ?
C35A H35A 0.9500 . ?
C36A H36A 0.9500 . ?
C37A C38A 1.197(7) . ?
C37A C41A 1.451(7) . ?
C41A N4A 1.354(7) . ?
N4A C43A 1.341(7) . ?
C43A C44A 1.380(9) . ?
C43A H43A 0.9500 . ?
C44A C45A 1.384(9) . ?
C44A H44A 0.9500 . ?
C45A H45A 0.9500 . ?
C47A C48A 1.199(7) . ?
C10 C13 1.504(7) . ?
C10 C11 1.505(7) . ?
C10 C12 1.516(8) . ?
C11 C19 1.528(8) . ?
C11 H11C 0.9900 . ?
C11 H11D 0.9900 . ?
C12 C16 1.573(9) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C13 C14 1.582(8) . ?
C13 H13C 0.9900 . ?
C13 H13D 0.9900 . ?
C14 C15 1.492(10) . ?
C14 C18 1.514(10) . ?
C14 H14B 1.0000 . ?
C15 C16 1.472(10) . ?
C15 H15C 0.9900 . ?
C15 H15D 0.9900 . ?
C16 C17 1.540(9) . ?
C16 H16B 1.0000 . ?
C17 C19 1.487(9) . ?
C17 H17C 0.9900 . ?
C17 H17D 0.9900 . ?
C18 C19 1.464(9) . ?
C18 H18B 0.9900 . ?
C18 H18C 0.9900 . ?
C19 H19C 1.0000 . ?
C20 C22 1.503(7) . ?
C20 C21 1.531(7) . ?
C20 C23 1.534(7) . ?
C21 C28 1.534(7) . ?
C21 H21C 0.9900 . ?
C21 H21D 0.9900 . ?
C22 C26 1.542(8) . ?
C22 H22C 0.9900 . ?
C22 H22D 0.9900 . ?
C23 C24 1.531(8) . ?
C23 H23C 0.9900 . ?
C23 H23D 0.9900 . ?
C24 C25 1.490(10) . ?
C24 C29 1.516(9) . ?
C24 H24B 1.0000 . ?
C25 C26 1.531(10) . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C26 C27 1.539(9) . ?
C26 H26B 1.0000 . ?
C27 C28 1.502(8) . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C28 C29 1.522(8) . ?
C28 H28B 1.0000 . ?
C29 H29C 0.9900 . ?
C29 H29D 0.9900 . ?
C31 N3 1.334(7) . ?
C31 C37 1.450(7) . ?
N3 C33 1.356(8) . ?
C33 C34 1.352(10) . ?
C33 H33B 0.9500 . ?
C34 C35 1.363(9) . ?
C34 H34B 0.9500 . ?
C35 H35B 0.9500 . ?
C37 C38 1.198(7) . ?
C41 C46 1.382(7) . ?
C41 C47 1.438(7) . ?
C46 C45 1.364(9) . ?
C46 H46B 0.9500 . ?
C43 C44 1.381(9) . ?
C43 H43B 0.9500 . ?
C44 C45 1.371(10) . ?
C44 H44B 0.9500 . ?
C45 H45B 0.9500 . ?
C47 C48 1.198(7) . ?
C21B C28B 1.530(10) . ?
C21B H21E 0.9900 . ?
C21B H21F 0.9900 . ?
C22B C26B 1.533(10) . ?
C22B H22E 0.9900 . ?
C22B H22F 0.9900 . ?
C23B C24B 1.530(11) . ?
C23B H23E 0.9900 . ?
C23B H23F 0.9900 . ?
C24B C25B 1.518(11) . ?
C24B C29B 1.522(12) . ?
C24B H24C 1.0000 . ?
C25B C26B 1.507(11) . ?
C25B H25E 0.9900 . ?
C25B H25F 0.9900 . ?
C26B C27B 1.542(12) . ?
C26B H26C 1.0000 . ?
C27B C28B 1.524(11) . ?
C27B H27E 0.9900 . ?
C27B H27F 0.9900 . ?
C28B C29B 1.520(11) . ?
C28B H28C 1.0000 . ?
C29B H29E 0.9900 . ?
C29B H29F 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1A Pt1A C2A 90.1(2) . . ?
C1A Pt1A C38A 90.0(2) . . ?
C2A Pt1A C38A 177.0(2) . . ?
C1A Pt1A C48A 177.1(2) . . ?
C2A Pt1A C48A 90.9(2) . . ?
C38A Pt1A C48A 88.8(2) . . ?
C2 Pt1 C1 92.2(2) . . ?
C2 Pt1 C48 88.6(2) . . ?
C1 Pt1 C48 172.9(2) . . ?
C2 Pt1 C38 174.5(2) . . ?
C1 Pt1 C38 87.1(2) . . ?
C48 Pt1 C38 91.4(2) . . ?
C1A N1A C10A 175.3(6) . . ?
C2A N2A C20A 173.7(6) . . ?
C31A N3A C33A 117.3(6) . . ?
C41A C46A C45A 119.0(6) . . ?
C41A C46A H46A 120.5 . . ?
C45A C46A H46A 120.5 . . ?
C1 N1 C10 175.5(6) . . ?
C2 N2 C20 175.4(5) . . ?
C31 C36 C35 118.3(6) . . ?
C31 C36 H36B 120.9 . . ?
C35 C36 H36B 120.9 . . ?
C43 N4 C41 116.9(5) . . ?
N1A C1A Pt1A 175.8(5) . . ?
N2A C2A Pt1A 174.3(5) . . ?
N1A C10A C12A 109.1(4) . . ?
N1A C10A C11A 109.8(4) . . ?
C12A C10A C11A 113.0(5) . . ?
N1A C10A C13A 107.7(4) . . ?
C12A C10A C13A 108.9(5) . . ?
C11A C10A C13A 108.2(5) . . ?
C10A C11A C18A 108.7(5) . . ?
C10A C11A H11A 110.0 . . ?
C18A C11A H11A 110.0 . . ?
C10A C11A H11B 110.0 . . ?
C18A C11A H11B 110.0 . . ?
H11A C11A H11B 108.3 . . ?
C10A C12A C16A 109.0(5) . . ?
C10A C12A H12A 109.9 . . ?
C16A C12A H12A 109.9 . . ?
C10A C12A H12B 109.9 . . ?
C16A C12A H12B 109.9 . . ?
H12A C12A H12B 108.3 . . ?
C10A C13A C14A 108.4(5) . . ?
C10A C13A H13A 110.0 . . ?
C14A C13A H13A 110.0 . . ?
C10A C13A H13B 110.0 . . ?
C14A C13A H13B 110.0 . . ?
H13A C13A H13B 108.4 . . ?
C15A C14A C19A 110.3(6) . . ?
C15A C14A C13A 109.5(5) . . ?
C19A C14A C13A 108.0(5) . . ?
C15A C14A H14A 109.7 . . ?
C19A C14A H14A 109.7 . . ?
C13A C14A H14A 109.7 . . ?
C14A C15A C16A 110.2(5) . . ?
C14A C15A H15A 109.6 . . ?
C16A C15A H15A 109.6 . . ?
C14A C15A H15B 109.6 . . ?
C16A C15A H15B 109.6 . . ?
H15A C15A H15B 108.1 . . ?
C15A C16A C17A 110.0(5) . . ?
C15A C16A C12A 108.9(5) . . ?
C17A C16A C12A 109.2(5) . . ?
C15A C16A H16A 109.6 . . ?
C17A C16A H16A 109.6 . . ?
C12A C16A H16A 109.6 . . ?
C18A C17A C16A 109.3(5) . . ?
C18A C17A H17A 109.8 . . ?
C16A C17A H17A 109.8 . . ?
C18A C17A H17B 109.8 . . ?
C16A C17A H17B 109.8 . . ?
H17A C17A H17B 108.3 . . ?
C19A C18A C17A 111.8(5) . . ?
C19A C18A C11A 107.7(5) . . ?
C17A C18A C11A 108.5(5) . . ?
C19A C18A H18A 109.6 . . ?
C17A C18A H18A 109.6 . . ?
C11A C18A H18A 109.6 . . ?
C14A C19A C18A 110.7(5) . . ?
C14A C19A H19A 109.5 . . ?
C18A C19A H19A 109.5 . . ?
C14A C19A H19B 109.5 . . ?
C18A C19A H19B 109.5 . . ?
H19A C19A H19B 108.1 . . ?
N2A C20A C22B 108.6(5) . . ?
N2A C20A C22A 107.3(5) . . ?
N2A C20A C23B 107.1(5) . . ?
C22B C20A C23B 114.5(7) . . ?
N2A C20A C21A 110.0(5) . . ?
C22A C20A C21A 115.3(7) . . ?
N2A C20A C21B 108.3(5) . . ?
C22B C20A C21B 109.9(7) . . ?
C23B C20A C21B 108.2(7) . . ?
N2A C20A C23A 107.8(5) . . ?
C22A C20A C23A 107.3(6) . . ?
C21A C20A C23A 108.8(7) . . ?
C20A C21A C28A 106.8(7) . . ?
C20A C21A H21A 110.4 . . ?
C28A C21A H21A 110.4 . . ?
C20A C21A H21B 110.4 . . ?
C28A C21A H21B 110.4 . . ?
H21A C21A H21B 108.6 . . ?
C20A C22A C26A 106.0(7) . . ?
C20A C22A H22A 110.5 . . ?
C26A C22A H22A 110.5 . . ?
C20A C22A H22B 110.5 . . ?
C26A C22A H22B 110.5 . . ?
H22A C22A H22B 108.7 . . ?
C24A C23A C20A 109.9(7) . . ?
C24A C23A H23A 109.7 . . ?
C20A C23A H23A 109.7 . . ?
C24A C23A H23B 109.7 . . ?
C20A C23A H23B 109.7 . . ?
H23A C23A H23B 108.2 . . ?
C29A C24A C25A 111.7(10) . . ?
C29A C24A C23A 110.2(9) . . ?
C25A C24A C23A 106.0(9) . . ?
C29A C24A H24A 109.6 . . ?
C25A C24A H24A 109.6 . . ?
C23A C24A H24A 109.6 . . ?
C24A C25A C26A 107.5(9) . . ?
C24A C25A H25A 110.2 . . ?
C26A C25A H25A 110.2 . . ?
C24A C25A H25B 110.2 . . ?
C26A C25A H25B 110.2 . . ?
H25A C25A H25B 108.5 . . ?
C27A C26A C25A 111.9(10) . . ?
C27A C26A C22A 109.4(9) . . ?
C25A C26A C22A 111.7(9) . . ?
C27A C26A H26A 107.9 . . ?
C25A C26A H26A 107.9 . . ?
C22A C26A H26A 107.9 . . ?
C26A C27A C28A 108.2(10) . . ?
C26A C27A H27A 110.1 . . ?
C28A C27A H27A 110.1 . . ?
C26A C27A H27B 110.1 . . ?
C28A C27A H27B 110.1 . . ?
H27A C27A H27B 108.4 . . ?
C29A C28A C27A 110.1(11) . . ?
C29A C28A C21A 109.7(10) . . ?
C27A C28A C21A 110.4(10) . . ?
C29A C28A H28A 108.9 . . ?
C27A C28A H28A 108.9 . . ?
C21A C28A H28A 108.9 . . ?
C24A C29A C28A 109.2(9) . . ?
C24A C29A H29A 109.8 . . ?
C28A C29A H29A 109.8 . . ?
C24A C29A H29B 109.8 . . ?
C28A C29A H29B 109.8 . . ?
H29A C29A H29B 108.3 . . ?
N3A C31A C36A 121.1(6) . . ?
N3A C31A C47A 117.4(5) . . ?
C36A C31A C47A 121.5(6) . . ?
N3A C33A C34A 123.3(8) . . ?
N3A C33A H33A 118.3 . . ?
C34A C33A H33A 118.3 . . ?
C35A C34A C33A 118.6(8) . . ?
C35A C34A H34A 120.7 . . ?
C33A C34A H34A 120.7 . . ?
C34A C35A C36A 119.5(8) . . ?
C34A C35A H35A 120.2 . . ?
C36A C35A H35A 120.2 . . ?
C35A C36A C31A 120.1(7) . . ?
C35A C36A H36A 119.9 . . ?
C31A C36A H36A 119.9 . . ?
C38A C37A C41A 176.7(6) . . ?
C37A C38A Pt1A 177.8(5) . . ?
N4A C41A C46A 123.7(5) . . ?
N4A C41A C37A 116.2(5) . . ?
C46A C41A C37A 120.1(5) . . ?
C43A N4A C41A 116.1(6) . . ?
N4A C43A C44A 123.7(7) . . ?
N4A C43A H43A 118.1 . . ?
C44A C43A H43A 118.1 . . ?
C43A C44A C45A 119.0(6) . . ?
C43A C44A H44A 120.5 . . ?
C45A C44A H44A 120.5 . . ?
C46A C45A C44A 118.4(6) . . ?
C46A C45A H45A 120.8 . . ?
C44A C45A H45A 120.8 . . ?
C48A C47A C31A 177.5(6) . . ?
C47A C48A Pt1A 176.9(5) . . ?
N1 C1 Pt1 171.9(5) . . ?
N2 C2 Pt1 174.9(5) . . ?
N1 C10 C13 107.9(4) . . ?
N1 C10 C11 110.1(4) . . ?
C13 C10 C11 109.8(5) . . ?
N1 C10 C12 110.1(5) . . ?
C13 C10 C12 108.6(5) . . ?
C11 C10 C12 110.3(5) . . ?
C10 C11 C19 110.3(5) . . ?
C10 C11 H11C 109.6 . . ?
C19 C11 H11C 109.6 . . ?
C10 C11 H11D 109.6 . . ?
C19 C11 H11D 109.6 . . ?
H11C C11 H11D 108.1 . . ?
C10 C12 C16 110.0(5) . . ?
C10 C12 H12C 109.7 . . ?
C16 C12 H12C 109.7 . . ?
C10 C12 H12D 109.7 . . ?
C16 C12 H12D 109.7 . . ?
H12C C12 H12D 108.2 . . ?
C10 C13 C14 107.7(4) . . ?
C10 C13 H13C 110.2 . . ?
C14 C13 H13C 110.2 . . ?
C10 C13 H13D 110.2 . . ?
C14 C13 H13D 110.2 . . ?
H13C C13 H13D 108.5 . . ?
C15 C14 C18 110.6(6) . . ?
C15 C14 C13 108.3(6) . . ?
C18 C14 C13 108.3(6) . . ?
C15 C14 H14B 109.9 . . ?
C18 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C16 C15 C14 111.4(6) . . ?
C16 C15 H15C 109.3 . . ?
C14 C15 H15C 109.3 . . ?
C16 C15 H15D 109.3 . . ?
C14 C15 H15D 109.3 . . ?
H15C C15 H15D 108.0 . . ?
C15 C16 C17 109.8(6) . . ?
C15 C16 C12 108.0(6) . . ?
C17 C16 C12 107.1(6) . . ?
C15 C16 H16B 110.6 . . ?
C17 C16 H16B 110.6 . . ?
C12 C16 H16B 110.6 . . ?
C19 C17 C16 110.4(5) . . ?
C19 C17 H17C 109.6 . . ?
C16 C17 H17C 109.6 . . ?
C19 C17 H17D 109.6 . . ?
C16 C17 H17D 109.6 . . ?
H17C C17 H17D 108.1 . . ?
C19 C18 C14 111.2(6) . . ?
C19 C18 H18B 109.4 . . ?
C14 C18 H18B 109.4 . . ?
C19 C18 H18C 109.4 . . ?
C14 C18 H18C 109.4 . . ?
H18B C18 H18C 108.0 . . ?
C18 C19 C17 110.1(6) . . ?
C18 C19 C11 107.5(6) . . ?
C17 C19 C11 110.8(6) . . ?
C18 C19 H19C 109.5 . . ?
C17 C19 H19C 109.5 . . ?
C11 C19 H19C 109.5 . . ?
N2 C20 C22 108.7(4) . . ?
N2 C20 C21 109.0(4) . . ?
C22 C20 C21 110.7(5) . . ?
N2 C20 C23 107.1(4) . . ?
C22 C20 C23 111.7(5) . . ?
C21 C20 C23 109.4(5) . . ?
C20 C21 C28 108.2(5) . . ?
C20 C21 H21C 110.0 . . ?
C28 C21 H21C 110.0 . . ?
C20 C21 H21D 110.0 . . ?
C28 C21 H21D 110.0 . . ?
H21C C21 H21D 108.4 . . ?
C20 C22 C26 108.3(5) . . ?
C20 C22 H22C 110.0 . . ?
C26 C22 H22C 110.0 . . ?
C20 C22 H22D 110.0 . . ?
C26 C22 H22D 110.0 . . ?
H22C C22 H22D 108.4 . . ?
C24 C23 C20 107.0(5) . . ?
C24 C23 H23C 110.3 . . ?
C20 C23 H23C 110.3 . . ?
C24 C23 H23D 110.3 . . ?
C20 C23 H23D 110.3 . . ?
H23C C23 H23D 108.6 . . ?
C25 C24 C29 110.7(6) . . ?
C25 C24 C23 109.3(6) . . ?
C29 C24 C23 110.4(6) . . ?
C25 C24 H24B 108.8 . . ?
C29 C24 H24B 108.8 . . ?
C23 C24 H24B 108.8 . . ?
C24 C25 C26 110.7(6) . . ?
C24 C25 H25C 109.5 . . ?
C26 C25 H25C 109.5 . . ?
C24 C25 H25D 109.5 . . ?
C26 C25 H25D 109.5 . . ?
H25C C25 H25D 108.1 . . ?
C25 C26 C27 109.0(6) . . ?
C25 C26 C22 108.2(6) . . ?
C27 C26 C22 108.6(6) . . ?
C25 C26 H26B 110.3 . . ?
C27 C26 H26B 110.3 . . ?
C22 C26 H26B 110.3 . . ?
C28 C27 C26 110.4(5) . . ?
C28 C27 H27C 109.6 . . ?
C26 C27 H27C 109.6 . . ?
C28 C27 H27D 109.6 . . ?
C26 C27 H27D 109.6 . . ?
H27C C27 H27D 108.1 . . ?
C27 C28 C29 110.0(5) . . ?
C27 C28 C21 109.2(5) . . ?
C29 C28 C21 109.5(5) . . ?
C27 C28 H28B 109.4 . . ?
C29 C28 H28B 109.4 . . ?
C21 C28 H28B 109.4 . . ?
C24 C29 C28 108.9(5) . . ?
C24 C29 H29C 109.9 . . ?
C28 C29 H29C 109.9 . . ?
C24 C29 H29D 109.9 . . ?
C28 C29 H29D 109.9 . . ?
H29C C29 H29D 108.3 . . ?
N3 C31 C36 122.9(6) . . ?
N3 C31 C37 117.0(6) . . ?
C36 C31 C37 120.1(5) . . ?
C31 N3 C33 117.2(6) . . ?
C34 C33 N3 123.1(7) . . ?
C34 C33 H33B 118.5 . . ?
N3 C33 H33B 118.5 . . ?
C33 C34 C35 118.9(7) . . ?
C33 C34 H34B 120.6 . . ?
C35 C34 H34B 120.6 . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 H35B 120.2 . . ?
C36 C35 H35B 120.2 . . ?
C38 C37 C31 176.4(6) . . ?
C37 C38 Pt1 172.2(5) . . ?
N4 C41 C46 121.0(5) . . ?
N4 C41 C47 116.2(5) . . ?
C46 C41 C47 122.7(6) . . ?
C45 C46 C41 120.9(7) . . ?
C45 C46 H46B 119.5 . . ?
C41 C46 H46B 119.5 . . ?
N4 C43 C44 123.9(7) . . ?
N4 C43 H43B 118.1 . . ?
C44 C43 H43B 118.1 . . ?
C45 C44 C43 118.7(6) . . ?
C45 C44 H44B 120.6 . . ?
C43 C44 H44B 120.6 . . ?
C46 C45 C44 118.5(7) . . ?
C46 C45 H45B 120.8 . . ?
C44 C45 H45B 120.8 . . ?
C48 C47 C41 177.6(6) . . ?
C47 C48 Pt1 172.7(5) . . ?
C28B C21B C20A 106.8(8) . . ?
C28B C21B H21E 110.4 . . ?
C20A C21B H21E 110.4 . . ?
C28B C21B H21F 110.4 . . ?
C20A C21B H21F 110.4 . . ?
H21E C21B H21F 108.6 . . ?
C20A C22B C26B 104.9(7) . . ?
C20A C22B H22E 110.8 . . ?
C26B C22B H22E 110.8 . . ?
C20A C22B H22F 110.8 . . ?
C26B C22B H22F 110.8 . . ?
H22E C22B H22F 108.8 . . ?
C20A C23B C24B 108.2(8) . . ?
C20A C23B H23E 110.1 . . ?
C24B C23B H23E 110.1 . . ?
C20A C23B H23F 110.1 . . ?
C24B C23B H23F 110.1 . . ?
H23E C23B H23F 108.4 . . ?
C25B C24B C29B 111.3(11) . . ?
C25B C24B C23B 109.0(10) . . ?
C29B C24B C23B 110.3(10) . . ?
C25B C24B H24C 108.7 . . ?
C29B C24B H24C 108.7 . . ?
C23B C24B H24C 108.7 . . ?
C26B C25B C24B 106.4(10) . . ?
C26B C25B H25E 110.4 . . ?
C24B C25B H25E 110.4 . . ?
C26B C25B H25F 110.4 . . ?
C24B C25B H25F 110.4 . . ?
H25E C25B H25F 108.6 . . ?
C25B C26B C22B 113.4(9) . . ?
C25B C26B C27B 111.8(11) . . ?
C22B C26B C27B 110.6(9) . . ?
C25B C26B H26C 106.9 . . ?
C22B C26B H26C 106.9 . . ?
C27B C26B H26C 106.9 . . ?
C28B C27B C26B 104.8(9) . . ?
C28B C27B H27E 110.8 . . ?
C26B C27B H27E 110.8 . . ?
C28B C27B H27F 110.8 . . ?
C26B C27B H27F 110.8 . . ?
H27E C27B H27F 108.9 . . ?
C29B C28B C27B 111.6(11) . . ?
C29B C28B C21B 110.0(9) . . ?
C27B C28B C21B 110.7(9) . . ?
C29B C28B H28C 108.2 . . ?
C27B C28B H28C 108.2 . . ?
C21B C28B H28C 108.2 . . ?
C28B C29B C24B 107.3(10) . . ?
C28B C29B H29E 110.2 . . ?
C24B C29B H29E 110.2 . . ?
C28B C29B H29F 110.2 . . ?
C24B C29B H29F 110.2 . . ?
H29E C29B H29F 108.5 . . ?

_refine_diff_density_max         0.732
_refine_diff_density_min         -0.954
_refine_diff_density_rms         0.106


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

data_1-CuPF6
_database_code_depnum_ccdc_archive 'CCDC 2394178'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2024-10-28 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;
_audit_creation_date             2023-08-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C48 H52 Cu2 N8 Pt2, 2(F6 P), C H2 Cl2, C4 H10 O, [+ solvents]'
_chemical_formula_sum            'C53 H64 Cl2 Cu2 F12 N8 O P2 Pt2'
_chemical_formula_weight         1707.22
_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'
Cu Cu 0.3201 1.2651 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.1312(18)
_cell_length_b                   13.882(3)
_cell_length_c                   25.808(5)
_cell_angle_alpha                89.634(2)
_cell_angle_beta                 78.885(2)
_cell_angle_gamma                75.512(2)
_cell_volume                     3445.0(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9924
_cell_measurement_temperature    123.22
_cell_measurement_theta_max      26.31
_cell_measurement_theta_min      2.16
_shelx_estimated_absorpt_T_max   0.793
_shelx_estimated_absorpt_T_min   0.344
_exptl_absorpt_coefficient_mu    4.853
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1134 before and 0.0611 after correction.
The Ratio of minimum to maximum transmission is 0.6972.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0619
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            50989
_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         25.681
_diffrn_reflns_theta_min         1.517
_diffrn_ambient_temperature      123.22
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10157
_reflns_number_total             13087
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.249
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     753
_refine_ls_number_reflns         13087
_refine_ls_number_restraints     700
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0368
_refine_ls_restrained_S_all      1.054
_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)+(0.0392P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0906
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
4.a Secondary CH2 refined with riding coordinates:
 C51(H51A,H51B), C49(H49A,H49B), C52(H52A,H52B)
4.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C35(H35), C11(H11), C5(H5), C6(H6), C7(H7), C14(H14), C36(H36),
 C12(H12), C38(H38), C37(H37), C28(H28), C31(H31), C29(H29), C13(H13), C30(H30)
4.c Idealised Me refined as rotating group:
 C47(H47A,H47B,H47C), C18(H18A,H18B,H18C), C48(H48A,H48B,H48C), C19(H19A,H19B,
 H19C), C46(H46A,H46B,H46C), C41(H41A,H41B,H41C), C43(H43A,H43B,H43C), C17(H17A,
 H17B,H17C), C42(H42A,H42B,H42C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C), C50(H50A,H50B,H50C), C53(H53A,H53B,H53C)
;
_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 Pt 0.47624(2) 0.33339(2) 0.63874(2) 0.01836(7) Uani 1 1 d . U . . .
Pt2 Pt 0.14253(2) 0.35077(2) 0.85286(2) 0.02138(7) Uani 1 1 d . U . . .
Cu2 Cu 0.16419(6) 0.52424(5) 0.69248(2) 0.01893(15) Uani 1 1 d . U . . .
Cu1 Cu 0.33816(6) 0.52427(5) 0.80297(2) 0.02044(15) Uani 1 1 d . U . . .
P2 P 0.13812(15) 0.72163(12) 0.54363(6) 0.0253(3) Uani 1 1 d . U . . .
P1 P 0.21094(15) 0.71020(12) 0.96289(5) 0.0241(3) Uani 1 1 d . U . . .
Cl1 Cl -0.2831(2) 0.6471(2) 0.81535(9) 0.0837(7) Uani 1 1 d . U . . .
Cl2 Cl -0.2710(2) 0.6191(2) 0.70176(10) 0.0900(8) Uani 1 1 d . U . . .
F1 F 0.3199(3) 0.6171(3) 0.98035(12) 0.0349(7) Uani 1 1 d . U . . .
F26 F 0.1090(3) 0.6217(3) 0.52283(12) 0.0354(7) Uani 1 1 d . U . . .
F4 F 0.1014(4) 0.8024(3) 0.94518(14) 0.0440(8) Uani 1 1 d . U . . .
F22 F -0.0072(3) 0.7443(3) 0.58414(13) 0.0489(9) Uani 1 1 d . U . . .
F24 F 0.0622(4) 0.7824(3) 0.50025(15) 0.0554(10) Uani 1 1 d . U . . .
F25 F 0.2825(4) 0.6995(3) 0.50282(15) 0.0536(10) Uani 1 1 d . U . . .
F21 F 0.2124(4) 0.6601(3) 0.58730(14) 0.0471(9) Uani 1 1 d . U . . .
N1 N 0.4959(4) 0.4386(4) 0.82992(16) 0.0215(8) Uani 1 1 d . U . . .
N2 N 0.3834(4) 0.6392(3) 0.76120(16) 0.0218(8) Uani 1 1 d . U . . .
N6 N 0.0564(4) 0.4429(3) 0.66399(16) 0.0202(8) Uani 1 1 d . U . . .
F23 F 0.1683(4) 0.8201(3) 0.56443(17) 0.0601(10) Uani 1 1 d . U . . .
F5 F 0.3282(4) 0.7248(3) 0.91567(16) 0.0681(12) Uani 1 1 d . U . . .
F2 F 0.0947(4) 0.6966(3) 1.01089(16) 0.0678(12) Uani 1 1 d . U . . .
N8 N 0.2151(5) 0.3643(4) 0.96430(17) 0.0241(10) Uani 1 1 d . U . . .
N5 N 0.0496(4) 0.6479(3) 0.73608(16) 0.0213(8) Uani 1 1 d . U . . .
C1 C 0.5352(5) 0.3283(4) 0.7078(2) 0.0208(10) Uani 1 1 d . U . . .
N3 N 0.3876(4) 0.3499(3) 0.52903(16) 0.0207(9) Uani 1 1 d . U . . .
F3 F 0.2565(5) 0.7821(3) 0.99908(18) 0.0712(12) Uani 1 1 d . U . . .
C44 C 0.1911(5) 0.3634(4) 0.9232(2) 0.0215(10) Uani 1 1 d . U . . .
C25 C 0.1557(5) 0.4863(4) 0.82951(19) 0.0202(9) Uani 1 1 d . U . . .
C3 C 0.5869(5) 0.3590(4) 0.8012(2) 0.0242(10) Uani 1 1 d . U . . .
N7 N 0.1090(5) 0.1399(4) 0.88081(18) 0.0332(11) Uani 1 1 d . U . . .
F6 F 0.1664(5) 0.6388(3) 0.92643(19) 0.0740(12) Uani 1 1 d . U . . .
C26 C 0.1305(5) 0.5673(4) 0.80909(19) 0.0188(8) Uani 1 1 d . U . . .
C32 C 0.0852(6) 0.3444(4) 0.7841(2) 0.0225(10) Uani 1 1 d . U . . .
C8 C 0.3750(5) 0.4716(4) 0.66559(18) 0.0175(8) Uani 1 1 d . U . . .
C10 C 0.3671(5) 0.6437(4) 0.7101(2) 0.0200(8) Uani 1 1 d . U . . .
N4 N 0.6665(5) 0.1213(4) 0.60604(18) 0.0306(10) Uani 1 1 d . U . . .
C16 C 0.3620(5) 0.3463(4) 0.47496(19) 0.0234(10) Uani 1 1 d . U . . .
C2 C 0.5625(6) 0.3377(4) 0.7505(2) 0.0244(12) Uani 1 1 d . U . . .
C9 C 0.3503(5) 0.5543(4) 0.68718(19) 0.0179(9) Uani 1 1 d . U . . .
C4 C 0.5190(6) 0.4603(5) 0.8775(2) 0.0259(11) Uani 1 1 d . U . . .
H4 H 0.455927 0.515787 0.897663 0.031 Uiso 1 1 calc R U . . .
C35 C 0.0195(5) 0.4632(4) 0.61718(19) 0.0230(10) Uani 1 1 d . U . . .
H35 H 0.050648 0.514256 0.597684 0.028 Uiso 1 1 calc R U . . .
C33 C 0.0517(6) 0.3501(4) 0.7417(2) 0.0265(12) Uani 1 1 d . U . . .
C11 C 0.4029(6) 0.7210(4) 0.7833(2) 0.0281(11) Uani 1 1 d . U . . .
H11 H 0.413338 0.719507 0.819088 0.034 Uiso 1 1 calc R U . . .
C20 C 0.5922(6) 0.1975(4) 0.6182(2) 0.0222(10) Uani 1 1 d . U . . .
C15 C 0.4181(5) 0.3466(4) 0.5700(2) 0.0206(10) Uani 1 1 d . U . . .
C34 C 0.0130(6) 0.3690(4) 0.6919(2) 0.0248(10) Uani 1 1 d . U . . .
C27 C 0.0621(6) 0.6563(4) 0.7873(2) 0.0232(10) Uani 1 1 d . U . . .
C5 C 0.6272(6) 0.4078(5) 0.8986(2) 0.0318(12) Uani 1 1 d . U . . .
H5 H 0.637541 0.425645 0.932827 0.038 Uiso 1 1 calc R U . . .
C6 C 0.7215(6) 0.3284(5) 0.8695(2) 0.0404(15) Uani 1 1 d . U . . .
H6 H 0.799736 0.291835 0.882708 0.048 Uiso 1 1 calc R U . . .
C47 C 0.2244(6) 0.2580(5) 1.0380(2) 0.0330(12) Uani 1 1 d . U . . .
H47A H 0.290569 0.205239 1.014404 0.049 Uiso 1 1 calc R U . . .
H47B H 0.129410 0.253231 1.038192 0.049 Uiso 1 1 calc R U . . .
H47C H 0.242945 0.250443 1.073922 0.049 Uiso 1 1 calc R U . . .
C18 C 0.4147(6) 0.4304(5) 0.4456(2) 0.0324(13) Uani 1 1 d . U . . .
H18A H 0.399256 0.430609 0.409308 0.049 Uiso 1 1 calc R U . . .
H18B H 0.514328 0.419708 0.445111 0.049 Uiso 1 1 calc R U . . .
H18C H 0.364134 0.494589 0.463842 0.049 Uiso 1 1 calc R U . . .
C7 C 0.6998(6) 0.3031(5) 0.8210(2) 0.0378(14) Uani 1 1 d . U . . .
H7 H 0.762037 0.247298 0.800851 0.045 Uiso 1 1 calc R U . . .
C45 C 0.2402(6) 0.3591(5) 1.0187(2) 0.0258(10) Uani 1 1 d . U . . .
C48 C 0.3888(6) 0.3677(5) 1.0161(2) 0.0314(13) Uani 1 1 d . U . . .
H48A H 0.397964 0.431791 1.001830 0.047 Uiso 1 1 calc R U . . .
H48B H 0.453921 0.313437 0.993108 0.047 Uiso 1 1 calc R U . . .
H48C H 0.409872 0.363265 1.051675 0.047 Uiso 1 1 calc R U . . .
C14 C 0.3662(6) 0.7288(4) 0.6823(2) 0.0270(11) Uani 1 1 d . U . . .
H14 H 0.350874 0.730626 0.647063 0.032 Uiso 1 1 calc R U . . .
C39 C 0.1213(6) 0.2157(5) 0.8700(2) 0.0286(11) Uani 1 1 d . U . . .
C36 C -0.0606(6) 0.4143(5) 0.5959(2) 0.0292(11) Uani 1 1 d . U . . .
H36 H -0.083945 0.431201 0.562526 0.035 Uiso 1 1 calc R U . . .
C21 C 0.7641(6) 0.0235(5) 0.5913(3) 0.0391(12) Uani 1 1 d . U . . .
C19 C 0.2062(6) 0.3627(5) 0.4799(2) 0.0340(14) Uani 1 1 d . U . . .
H19A H 0.158406 0.428432 0.496789 0.051 Uiso 1 1 calc R U . . .
H19B H 0.174952 0.311169 0.501420 0.051 Uiso 1 1 calc R U . . .
H19C H 0.184602 0.358983 0.444656 0.051 Uiso 1 1 calc R U . . .
C12 C 0.4084(6) 0.8066(5) 0.7566(2) 0.0346(12) Uani 1 1 d . U . . .
H12 H 0.426308 0.861448 0.773337 0.042 Uiso 1 1 calc R U . . .
C38 C -0.0703(6) 0.3180(5) 0.6716(2) 0.0358(13) Uani 1 1 d . U . . .
H38 H -0.101854 0.267316 0.691407 0.043 Uiso 1 1 calc R U . . .
C37 C -0.1068(6) 0.3400(5) 0.6239(2) 0.0362(13) Uani 1 1 d . U . . .
H37 H -0.162923 0.304959 0.610231 0.043 Uiso 1 1 calc R U . . .
C46 C 0.1325(6) 0.4439(5) 1.0515(2) 0.0322(13) Uani 1 1 d . U . . .
H46A H 0.150306 0.444903 1.087520 0.048 Uiso 1 1 calc R U . . .
H46B H 0.039420 0.434320 1.052763 0.048 Uiso 1 1 calc R U . . .
H46C H 0.138418 0.507303 1.035522 0.048 Uiso 1 1 calc R U . . .
C41 C -0.0491(7) 0.0354(5) 0.9055(3) 0.0410(14) Uani 1 1 d . U . . .
H41A H -0.109057 0.085681 0.932154 0.061 Uiso 1 1 calc R U . . .
H41B H -0.056626 -0.030958 0.916589 0.061 Uiso 1 1 calc R U . . .
H41C H -0.078352 0.047899 0.871528 0.061 Uiso 1 1 calc R U . . .
C28 C -0.0130(6) 0.7305(5) 0.7136(2) 0.0330(13) Uani 1 1 d . U . . .
H28 H -0.021508 0.725683 0.677708 0.040 Uiso 1 1 calc R U . . .
C31 C 0.0127(7) 0.7462(5) 0.8164(2) 0.0366(14) Uani 1 1 d . U . . .
H31 H 0.023431 0.750604 0.851978 0.044 Uiso 1 1 calc R U . . .
C43 C 0.1503(7) 0.0317(5) 0.9518(2) 0.0402(15) Uani 1 1 d . U . . .
H43A H 0.245379 0.039712 0.946134 0.060 Uiso 1 1 calc R U . . .
H43B H 0.148921 -0.034102 0.965506 0.060 Uiso 1 1 calc R U . . .
H43C H 0.088956 0.083373 0.977344 0.060 Uiso 1 1 calc R U . . .
C17 C 0.4418(6) 0.2440(5) 0.4510(2) 0.0323(13) Uani 1 1 d . U . . .
H17A H 0.426730 0.237643 0.414970 0.048 Uiso 1 1 calc R U . . .
H17B H 0.409021 0.192949 0.472477 0.048 Uiso 1 1 calc R U . . .
H17C H 0.541211 0.235254 0.450220 0.048 Uiso 1 1 calc R U . . .
C42 C 0.1972(7) -0.0345(5) 0.8577(2) 0.0441(16) Uani 1 1 d . U . . .
H42A H 0.167545 -0.022063 0.823818 0.066 Uiso 1 1 calc R U . . .
H42B H 0.193640 -0.101913 0.868144 0.066 Uiso 1 1 calc R U . . .
H42C H 0.292583 -0.027896 0.854278 0.066 Uiso 1 1 calc R U . . .
C29 C -0.0647(7) 0.8211(5) 0.7406(3) 0.0479(16) Uani 1 1 d . U . . .
H29 H -0.108489 0.877689 0.723626 0.057 Uiso 1 1 calc R U . . .
C40 C 0.1003(7) 0.0412(5) 0.8999(2) 0.0343(11) Uani 1 1 d . U . . .
C13 C 0.3876(6) 0.8113(5) 0.7055(2) 0.0353(12) Uani 1 1 d . U . . .
H13 H 0.387920 0.870171 0.686599 0.042 Uiso 1 1 calc R U . . .
C30 C -0.0529(7) 0.8296(5) 0.7924(3) 0.0491(17) Uani 1 1 d . U . . .
H30 H -0.089075 0.891833 0.811598 0.059 Uiso 1 1 calc R U . . .
C22 C 0.7162(7) -0.0512(5) 0.6267(3) 0.0512(17) Uani 1 1 d . U . . .
H22A H 0.620922 -0.050881 0.623985 0.077 Uiso 1 1 calc R U . . .
H22B H 0.718386 -0.034266 0.663302 0.077 Uiso 1 1 calc R U . . .
H22C H 0.777619 -0.117514 0.616235 0.077 Uiso 1 1 calc R U . . .
C23 C 0.7627(9) -0.0003(6) 0.5338(3) 0.062(2) Uani 1 1 d . U . . .
H23A H 0.821988 -0.067206 0.523173 0.093 Uiso 1 1 calc R U . . .
H23B H 0.797935 0.048515 0.511277 0.093 Uiso 1 1 calc R U . . .
H23C H 0.667351 0.002670 0.530120 0.093 Uiso 1 1 calc R U . . .
C24 C 0.9067(7) 0.0339(6) 0.5986(4) 0.071(2) Uani 1 1 d . U . . .
H24A H 0.899894 0.057452 0.634958 0.106 Uiso 1 1 calc R U . . .
H24B H 0.936609 0.081916 0.573978 0.106 Uiso 1 1 calc R U . . .
H24C H 0.974596 -0.030887 0.591489 0.106 Uiso 1 1 calc R U . . .
C51 C 0.3597(10) 0.1169(8) 0.7347(4) 0.089(2) Uani 1 1 d . U . . .
H51A H 0.341004 0.189761 0.730815 0.107 Uiso 1 1 calc R U . . .
H51B H 0.277503 0.103970 0.758555 0.107 Uiso 1 1 calc R U . . .
C49 C -0.2454(9) 0.5609(7) 0.7643(4) 0.093(2) Uani 1 1 d . U . . .
H49A H -0.305774 0.514422 0.772444 0.112 Uiso 1 1 calc R U . . .
H49B H -0.147636 0.521764 0.760405 0.112 Uiso 1 1 calc R U . . .
O1 O 0.3709(7) 0.0691(5) 0.6816(3) 0.1008(19) Uani 1 1 d . U . . .
C50 C 0.4767(12) 0.0866(8) 0.7603(4) 0.108(3) Uani 1 1 d . U . . .
H50A H 0.563049 0.079174 0.734088 0.163 Uiso 1 1 calc R U . . .
H50B H 0.475822 0.022795 0.776653 0.163 Uiso 1 1 calc R U . . .
H50C H 0.471013 0.137107 0.787521 0.163 Uiso 1 1 calc R U . . .
C52 C 0.2591(13) 0.1074(10) 0.6545(5) 0.125(3) Uani 1 1 d . U . . .
H52A H 0.240754 0.180853 0.653956 0.150 Uiso 1 1 calc R U . . .
H52B H 0.173721 0.090849 0.673746 0.150 Uiso 1 1 calc R U . . .
C53 C 0.2914(12) 0.0665(10) 0.6012(5) 0.136(4) Uani 1 1 d . U . . .
H53A H 0.246792 0.115927 0.578468 0.205 Uiso 1 1 calc R U . . .
H53B H 0.256997 0.006691 0.600308 0.205 Uiso 1 1 calc R U . . .
H53C H 0.392334 0.049143 0.588506 0.205 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 1.981(5) . ?
Pt1 C8 1.993(5) . ?
Pt1 C20 1.970(6) . ?
Pt1 C15 1.968(5) . ?
Pt2 C44 1.990(5) . ?
Pt2 C25 2.001(6) . ?
Pt2 C32 1.980(5) . ?
Pt2 C39 1.978(6) . ?
Cu2 N6 1.986(4) . ?
Cu2 N5 2.022(4) . ?
Cu2 C8 2.057(5) . ?
Cu2 C9 2.011(5) . ?
Cu1 N1 1.980(4) . ?
Cu1 N2 2.018(5) . ?
Cu1 C25 2.039(5) . ?
Cu1 C26 2.013(5) . ?
P2 F26 1.605(4) . ?
P2 F22 1.593(3) . ?
P2 F24 1.597(4) . ?
P2 F25 1.590(4) . ?
P2 F21 1.600(4) . ?
P2 F23 1.591(4) . ?
P1 F1 1.601(4) . ?
P1 F4 1.599(4) . ?
P1 F5 1.580(4) . ?
P1 F2 1.582(4) . ?
P1 F3 1.578(4) . ?
P1 F6 1.572(4) . ?
Cl1 C49 1.707(10) . ?
Cl2 C49 1.833(11) . ?
N1 C3 1.363(7) . ?
N1 C4 1.343(6) . ?
N2 C10 1.358(6) . ?
N2 C11 1.347(7) . ?
N6 C35 1.340(6) . ?
N6 C34 1.363(7) . ?
N8 C44 1.134(6) . ?
N8 C45 1.473(6) . ?
N5 C27 1.361(6) . ?
N5 C28 1.350(7) . ?
C1 C2 1.204(7) . ?
N3 C16 1.471(6) . ?
N3 C15 1.155(6) . ?
C25 C26 1.228(7) . ?
C3 C2 1.423(7) . ?
C3 C7 1.396(8) . ?
N7 C39 1.118(7) . ?
N7 C40 1.470(8) . ?
C26 C27 1.426(8) . ?
C32 C33 1.203(7) . ?
C8 C9 1.226(7) . ?
C10 C9 1.440(7) . ?
C10 C14 1.378(8) . ?
N4 C20 1.140(7) . ?
N4 C21 1.469(7) . ?
C16 C18 1.538(8) . ?
C16 C19 1.517(7) . ?
C16 C17 1.515(8) . ?
C4 H4 0.9500 . ?
C4 C5 1.363(8) . ?
C35 H35 0.9500 . ?
C35 C36 1.367(8) . ?
C33 C34 1.419(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.376(8) . ?
C34 C38 1.400(8) . ?
C27 C31 1.387(8) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(8) . ?
C6 H6 0.9500 . ?
C6 C7 1.374(8) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 C45 1.523(8) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C7 H7 0.9500 . ?
C45 C48 1.528(7) . ?
C45 C46 1.519(8) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C14 H14 0.9500 . ?
C14 C13 1.379(8) . ?
C36 H36 0.9500 . ?
C36 C37 1.381(8) . ?
C21 C22 1.488(9) . ?
C21 C23 1.524(9) . ?
C21 C24 1.534(10) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C12 H12 0.9500 . ?
C12 C13 1.374(8) . ?
C38 H38 0.9500 . ?
C38 C37 1.364(8) . ?
C37 H37 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41 C40 1.515(9) . ?
C28 H28 0.9500 . ?
C28 C29 1.374(8) . ?
C31 H31 0.9500 . ?
C31 C30 1.389(9) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 C40 1.515(8) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C42 C40 1.528(8) . ?
C29 H29 0.9500 . ?
C29 C30 1.372(9) . ?
C13 H13 0.9500 . ?
C30 H30 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C51 O1 1.498(11) . ?
C51 C50 1.438(13) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
O1 C52 1.434(13) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C52 C53 1.436(14) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 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
C1 Pt1 C8 82.1(2) . . ?
C20 Pt1 C1 91.3(2) . . ?
C20 Pt1 C8 172.8(2) . . ?
C15 Pt1 C1 176.7(2) . . ?
C15 Pt1 C8 95.1(2) . . ?
C15 Pt1 C20 91.3(2) . . ?
C44 Pt2 C25 96.5(2) . . ?
C32 Pt2 C44 176.9(2) . . ?
C32 Pt2 C25 82.0(2) . . ?
C39 Pt2 C44 88.9(2) . . ?
C39 Pt2 C25 174.5(2) . . ?
C39 Pt2 C32 92.5(2) . . ?
N6 Cu2 N5 115.51(17) . . ?
N6 Cu2 C8 112.27(19) . . ?
N6 Cu2 C9 146.14(19) . . ?
N5 Cu2 C8 131.9(2) . . ?
C9 Cu2 N5 97.00(19) . . ?
C9 Cu2 C8 35.05(19) . . ?
N1 Cu1 N2 114.70(18) . . ?
N1 Cu1 C25 112.7(2) . . ?
N1 Cu1 C26 146.7(2) . . ?
N2 Cu1 C25 132.3(2) . . ?
C26 Cu1 N2 97.1(2) . . ?
C26 Cu1 C25 35.3(2) . . ?
F22 P2 F26 89.8(2) . . ?
F22 P2 F24 89.5(2) . . ?
F22 P2 F21 89.9(2) . . ?
F24 P2 F26 89.7(2) . . ?
F24 P2 F21 179.2(2) . . ?
F25 P2 F26 90.1(2) . . ?
F25 P2 F22 179.5(3) . . ?
F25 P2 F24 90.0(2) . . ?
F25 P2 F21 90.6(2) . . ?
F25 P2 F23 89.6(2) . . ?
F21 P2 F26 89.7(2) . . ?
F23 P2 F26 179.4(2) . . ?
F23 P2 F22 90.4(2) . . ?
F23 P2 F24 90.8(2) . . ?
F23 P2 F21 89.8(2) . . ?
F4 P1 F1 179.4(2) . . ?
F5 P1 F1 89.4(2) . . ?
F5 P1 F4 90.7(2) . . ?
F5 P1 F2 179.0(3) . . ?
F2 P1 F1 90.4(2) . . ?
F2 P1 F4 89.5(2) . . ?
F3 P1 F1 90.0(2) . . ?
F3 P1 F4 90.6(2) . . ?
F3 P1 F5 89.3(3) . . ?
F3 P1 F2 89.7(3) . . ?
F6 P1 F1 90.1(2) . . ?
F6 P1 F4 89.4(2) . . ?
F6 P1 F5 90.3(3) . . ?
F6 P1 F2 90.8(3) . . ?
F6 P1 F3 179.5(3) . . ?
C3 N1 Cu1 122.6(3) . . ?
C4 N1 Cu1 119.8(4) . . ?
C4 N1 C3 117.6(5) . . ?
C10 N2 Cu1 118.0(4) . . ?
C11 N2 Cu1 123.6(4) . . ?
C11 N2 C10 117.1(5) . . ?
C35 N6 Cu2 119.8(4) . . ?
C35 N6 C34 118.4(5) . . ?
C34 N6 Cu2 121.7(3) . . ?
C44 N8 C45 175.3(6) . . ?
C27 N5 Cu2 118.4(4) . . ?
C28 N5 Cu2 121.8(4) . . ?
C28 N5 C27 118.1(5) . . ?
C2 C1 Pt1 171.8(5) . . ?
C15 N3 C16 174.2(5) . . ?
N8 C44 Pt2 174.7(5) . . ?
Pt2 C25 Cu1 124.3(3) . . ?
C26 C25 Pt2 160.9(4) . . ?
C26 C25 Cu1 71.2(3) . . ?
N1 C3 C2 117.0(5) . . ?
N1 C3 C7 120.5(5) . . ?
C7 C3 C2 122.5(5) . . ?
C39 N7 C40 173.7(6) . . ?
C25 C26 Cu1 73.5(3) . . ?
C25 C26 C27 163.3(5) . . ?
C27 C26 Cu1 122.9(4) . . ?
C33 C32 Pt2 173.4(5) . . ?
Pt1 C8 Cu2 126.7(3) . . ?
C9 C8 Pt1 160.2(4) . . ?
C9 C8 Cu2 70.4(3) . . ?
N2 C10 C9 115.8(5) . . ?
N2 C10 C14 121.9(5) . . ?
C14 C10 C9 122.3(5) . . ?
C20 N4 C21 178.6(6) . . ?
N3 C16 C18 107.0(4) . . ?
N3 C16 C19 106.7(4) . . ?
N3 C16 C17 106.4(5) . . ?
C19 C16 C18 111.7(5) . . ?
C17 C16 C18 112.5(5) . . ?
C17 C16 C19 112.1(5) . . ?
C1 C2 C3 174.2(6) . . ?
C8 C9 Cu2 74.5(3) . . ?
C8 C9 C10 162.4(5) . . ?
C10 C9 Cu2 122.9(4) . . ?
N1 C4 H4 118.0 . . ?
N1 C4 C5 124.1(6) . . ?
C5 C4 H4 118.0 . . ?
N6 C35 H35 118.2 . . ?
N6 C35 C36 123.6(5) . . ?
C36 C35 H35 118.2 . . ?
C32 C33 C34 173.1(6) . . ?
N2 C11 H11 118.3 . . ?
N2 C11 C12 123.4(5) . . ?
C12 C11 H11 118.3 . . ?
N4 C20 Pt1 175.7(5) . . ?
N3 C15 Pt1 176.8(5) . . ?
N6 C34 C33 117.3(5) . . ?
N6 C34 C38 119.6(5) . . ?
C38 C34 C33 123.1(5) . . ?
N5 C27 C26 115.9(5) . . ?
N5 C27 C31 122.0(5) . . ?
C31 C27 C26 122.1(5) . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.8(5) . . ?
C6 C5 H5 120.6 . . ?
C5 C6 H6 120.7 . . ?
C7 C6 C5 118.6(6) . . ?
C7 C6 H6 120.7 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C3 C7 H7 119.8 . . ?
C6 C7 C3 120.3(6) . . ?
C6 C7 H7 119.8 . . ?
N8 C45 C47 106.6(5) . . ?
N8 C45 C48 107.2(4) . . ?
N8 C45 C46 107.6(4) . . ?
C47 C45 C48 110.8(5) . . ?
C46 C45 C47 111.7(5) . . ?
C46 C45 C48 112.5(5) . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C10 C14 H14 120.0 . . ?
C10 C14 C13 120.0(5) . . ?
C13 C14 H14 120.0 . . ?
N7 C39 Pt2 178.5(5) . . ?
C35 C36 H36 120.6 . . ?
C35 C36 C37 118.8(5) . . ?
C37 C36 H36 120.6 . . ?
N4 C21 C22 108.4(5) . . ?
N4 C21 C23 107.0(6) . . ?
N4 C21 C24 106.3(5) . . ?
C22 C21 C23 111.2(6) . . ?
C22 C21 C24 111.4(6) . . ?
C23 C21 C24 112.2(6) . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C11 C12 H12 120.5 . . ?
C13 C12 C11 118.9(6) . . ?
C13 C12 H12 120.5 . . ?
C34 C38 H38 119.5 . . ?
C37 C38 C34 121.0(6) . . ?
C37 C38 H38 119.5 . . ?
C36 C37 H37 120.7 . . ?
C38 C37 C36 118.6(6) . . ?
C38 C37 H37 120.7 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
N5 C28 H28 118.8 . . ?
N5 C28 C29 122.3(5) . . ?
C29 C28 H28 118.8 . . ?
C27 C31 H31 120.6 . . ?
C27 C31 C30 118.7(6) . . ?
C30 C31 H31 120.6 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.7(6) . . ?
C30 C29 H29 120.1 . . ?
N7 C40 C41 108.0(5) . . ?
N7 C40 C43 106.6(5) . . ?
N7 C40 C42 106.1(5) . . ?
C41 C40 C43 113.0(5) . . ?
C41 C40 C42 111.2(5) . . ?
C43 C40 C42 111.5(5) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 C14 118.6(6) . . ?
C12 C13 H13 120.7 . . ?
C31 C30 H30 120.4 . . ?
C29 C30 C31 119.2(6) . . ?
C29 C30 H30 120.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
H51A C51 H51B 107.2 . . ?
O1 C51 H51A 107.9 . . ?
O1 C51 H51B 107.9 . . ?
C50 C51 H51A 107.9 . . ?
C50 C51 H51B 107.9 . . ?
C50 C51 O1 117.6(9) . . ?
Cl1 C49 Cl2 111.9(5) . . ?
Cl1 C49 H49A 109.2 . . ?
Cl1 C49 H49B 109.2 . . ?
Cl2 C49 H49A 109.2 . . ?
Cl2 C49 H49B 109.2 . . ?
H49A C49 H49B 107.9 . . ?
C52 O1 C51 116.6(8) . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O1 C52 H52A 109.4 . . ?
O1 C52 H52B 109.4 . . ?
O1 C52 C53 111.3(10) . . ?
H52A C52 H52B 108.0 . . ?
C53 C52 H52A 109.4 . . ?
C53 C52 H52B 109.4 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 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 C8 C9 Cu2 -152.5(12) . . . . ?
Pt1 C8 C9 C10 20(3) . . . . ?
Pt2 C25 C26 Cu1 -146.7(14) . . . . ?
Pt2 C25 C26 C27 24(3) . . . . ?
Cu2 N6 C35 C36 -176.6(4) . . . . ?
Cu2 N6 C34 C33 -2.0(7) . . . . ?
Cu2 N6 C34 C38 175.9(4) . . . . ?
Cu2 N5 C27 C26 -13.8(6) . . . . ?
Cu2 N5 C27 C31 165.4(5) . . . . ?
Cu2 N5 C28 C29 -165.4(5) . . . . ?
Cu2 C8 C9 C10 172.1(17) . . . . ?
Cu1 N1 C3 C2 -1.3(7) . . . . ?
Cu1 N1 C3 C7 177.4(5) . . . . ?
Cu1 N1 C4 C5 -177.8(5) . . . . ?
Cu1 N2 C10 C9 -14.0(6) . . . . ?
Cu1 N2 C10 C14 165.8(4) . . . . ?
Cu1 N2 C11 C12 -167.7(4) . . . . ?
Cu1 C25 C26 C27 170.8(19) . . . . ?
Cu1 C26 C27 N5 87.4(6) . . . . ?
Cu1 C26 C27 C31 -91.8(6) . . . . ?
N1 C3 C7 C6 -0.7(10) . . . . ?
N1 C4 C5 C6 1.3(10) . . . . ?
N2 C10 C9 Cu2 88.0(5) . . . . ?
N2 C10 C9 C8 -83.0(18) . . . . ?
N2 C10 C14 C13 2.5(8) . . . . ?
N2 C11 C12 C13 2.7(9) . . . . ?
N6 C35 C36 C37 0.1(9) . . . . ?
N6 C34 C38 C37 1.1(9) . . . . ?
N5 C27 C31 C30 0.8(10) . . . . ?
N5 C28 C29 C30 0.2(11) . . . . ?
C25 C26 C27 N5 -82(2) . . . . ?
C25 C26 C27 C31 98.7(19) . . . . ?
C3 N1 C4 C5 -0.1(8) . . . . ?
C26 C27 C31 C30 180.0(6) . . . . ?
C10 N2 C11 C12 -0.8(8) . . . . ?
C10 C14 C13 C12 -0.5(9) . . . . ?
C2 C3 C7 C6 178.0(6) . . . . ?
C9 C10 C14 C13 -177.7(5) . . . . ?
C4 N1 C3 C2 -179.0(5) . . . . ?
C4 N1 C3 C7 -0.2(8) . . . . ?
C4 C5 C6 C7 -2.2(10) . . . . ?
C35 N6 C34 C33 -179.1(5) . . . . ?
C35 N6 C34 C38 -1.2(8) . . . . ?
C35 C36 C37 C38 -0.3(9) . . . . ?
C33 C34 C38 C37 178.8(6) . . . . ?
C11 N2 C10 C9 178.3(5) . . . . ?
C11 N2 C10 C14 -1.9(7) . . . . ?
C11 C12 C13 C14 -2.0(9) . . . . ?
C34 N6 C35 C36 0.6(8) . . . . ?
C34 C38 C37 C36 -0.4(10) . . . . ?
C27 N5 C28 C29 -0.5(9) . . . . ?
C27 C31 C30 C29 -1.1(11) . . . . ?
C5 C6 C7 C3 1.9(10) . . . . ?
C14 C10 C9 Cu2 -91.9(6) . . . . ?
C14 C10 C9 C8 97.2(18) . . . . ?
C28 N5 C27 C26 -179.2(5) . . . . ?
C28 N5 C27 C31 0.0(8) . . . . ?
C28 C29 C30 C31 0.6(12) . . . . ?
C51 O1 C52 C53 171.2(10) . . . . ?
C50 C51 O1 C52 -174.0(10) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 0.000 0.000 427.7 43.4 '2 ?'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
