# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_zymf_0m
_database_code_depnum_ccdc_archive 'CCDC 2209083'
loop_
_audit_author_name
_audit_author_address
Wen
;Shenzhen university
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;
_audit_creation_date             2022-01-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C44 H28 F2 N6 Pt2'
_chemical_formula_sum            'C44 H28 F2 N6 Pt2'
_chemical_formula_weight         1068.90
_chemical_absolute_configuration .
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           78
_space_group_name_H-M_alt        'P 43'
_space_group_name_Hall           'P 4cw'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+3/4'
'y, -x, z+1/4'

_cell_length_a                   14.1699(3)
_cell_length_b                   14.1699(3)
_cell_length_c                   34.5036(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6927.8(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9082
_cell_measurement_temperature    170
_cell_measurement_theta_max      26.285
_cell_measurement_theta_min      2.352
_shelx_estimated_absorpt_T_max   0.687
_shelx_estimated_absorpt_T_min   0.323
_exptl_absorpt_coefficient_mu    8.123
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0798 before and 0.0555 after correction. The Ratio of minimum to maximum transmission is 0.3623. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4064
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_unetI/netI     0.0690
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            35007
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.363
_diffrn_reflns_theta_min         2.281
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.940
_reflns_Friedel_fraction_full    0.978
_reflns_Friedel_fraction_max     0.967
_reflns_number_gt                11162
_reflns_number_total             13868
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.759
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.109
_refine_ls_abs_structure_details 
;
 Flack x determined using 4336 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.017(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     973
_refine_ls_number_reflns         13868
_refine_ls_number_restraints     2099
_refine_ls_R_factor_all          0.0570
_refine_ls_R_factor_gt           0.0377
_refine_ls_restrained_S_all      0.924
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0624
_refine_ls_wR_factor_ref         0.0722
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Aromatic/amide H refined with riding coordinates:
 C50(H50), C18(H18), C12(H12), C78(H78), C19(H19), C15(H15), C24(H24),
 C65(H65), C47(H47), C79(H79), C22(H22), C80(H80), C25(H25), C42(H42), C53(H53),
  C43(H43), C13(H13), C14(H14), C37(H37), C52(H52), C2(H2), C11(H11), C85(H85),
 C34(H34), C33(H33), C88(H88), C69(H69), C63(H63), C71(H71), C44(H44), C9(H9),
 C68(H68), C77(H77), C35(H35), C23(H23), C86(H86), C58(H58), C75(H75), C74(H74),
  C57(H57), C76(H76), C64(H64), C59(H59), C55(H55), C45(H45), C60(H60), C8(H8),
 C30(H30), C54(H54), C5(H5), C36(H36), C32(H32), C87(H87), C31(H31), C10(H10),
 C4(H4)
;
_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
Pt2 Pt 0.94281(2) 0.52215(2) 0.65786(2) 0.04100(7) Uani 1 1 d . U . . .
Pt4 Pt 0.87160(2) 0.27615(2) 0.37146(2) 0.04303(8) Uani 1 1 d . U . . .
Pt3 Pt 0.99399(2) 0.41507(2) 0.41098(2) 0.04388(8) Uani 1 1 d . U . . .
Pt1 Pt 0.78386(2) 0.62955(2) 0.62339(2) 0.04499(8) Uani 1 1 d . U . . .
N8 N 0.9836(4) 0.4957(5) 0.36293(15) 0.0447(15) Uani 1 1 d . U . . .
N2 N 0.9916(5) 0.6458(5) 0.67916(15) 0.0444(15) Uani 1 1 d . U . . .
N11 N 0.9925(4) 0.2149(5) 0.35270(15) 0.0447(15) Uani 1 1 d . U . . .
N3 N 0.8849(5) 0.4006(4) 0.63846(15) 0.0438(15) Uani 1 1 d . U . . .
N6 N 0.8670(5) 0.6422(5) 0.57626(16) 0.0453(15) Uani 1 1 d . U . . .
N5 N 0.9918(5) 0.5438(5) 0.60048(15) 0.0442(15) Uani 1 1 d . U . . .
F2 F 0.7511(4) 0.3741(4) 0.77885(13) 0.0774(16) Uani 1 1 d . U . . .
N9 N 0.8887(5) 0.3816(5) 0.32847(15) 0.0447(15) Uani 1 1 d . U . . .
F3 F 0.7009(4) 0.6520(4) 0.43511(13) 0.0844(17) Uani 1 1 d . U . . .
N12 N 1.0944(4) 0.3314(5) 0.38110(15) 0.0439(14) Uani 1 1 d . U . . .
N1 N 0.7042(5) 0.6255(5) 0.67176(16) 0.0502(16) Uani 1 1 d . U . . .
C50 C 0.7962(6) 0.4757(6) 0.4983(2) 0.057(2) Uani 1 1 d . U . . .
H50 H 0.782566 0.447096 0.522585 0.068 Uiso 1 1 calc R . . . .
C84 C 0.8759(6) 0.4626(5) 0.26993(19) 0.0434(17) Uani 1 1 d . U . . .
C18 C 0.8683(6) 0.5966(6) 0.7713(2) 0.051(2) Uani 1 1 d . U . . .
H18 H 0.877402 0.652747 0.785809 0.061 Uiso 1 1 calc R . . . .
C61 C 1.2371(6) 0.2785(6) 0.3560(2) 0.0479(18) Uani 1 1 d . U . . .
N4 N 0.7575(5) 0.4853(4) 0.60918(15) 0.0429(14) Uani 1 1 d . U . . .
C16 C 0.9596(6) 0.6669(6) 0.71599(19) 0.0441(18) Uani 1 1 d . U . . .
C83 C 0.8502(5) 0.3808(6) 0.29145(19) 0.0415(17) Uani 1 1 d . U . . .
N10 N 0.7504(4) 0.3306(5) 0.39253(16) 0.0440(15) Uani 1 1 d . U . . .
C51 C 0.9376(6) 0.3711(6) 0.48884(19) 0.0503(19) Uani 1 1 d . U . . .
C12 C 1.0406(5) 0.7098(5) 0.6597(2) 0.0497(19) Uani 1 1 d . U . . .
H12 H 1.062856 0.693789 0.634563 0.060 Uiso 1 1 calc R . . . .
C27 C 0.8048(6) 0.4054(5) 0.61801(19) 0.0438(16) Uani 1 1 d . U . . .
C78 C 1.0255(6) 0.5801(6) 0.3602(2) 0.050(2) Uani 1 1 d . U . . .
H78 H 1.058488 0.602548 0.382372 0.060 Uiso 1 1 calc R . . . .
C66 C 1.0785(5) 0.2542(6) 0.35974(18) 0.0414(16) Uani 1 1 d . U . . .
C26 C 0.7601(6) 0.3222(5) 0.60297(18) 0.0437(16) Uani 1 1 d . U . . .
C19 C 0.8178(6) 0.5253(7) 0.7871(2) 0.056(2) Uani 1 1 d . U . . .
H19 H 0.792562 0.529547 0.812523 0.068 Uiso 1 1 calc R . . . .
N7 N 1.0025(5) 0.3442(5) 0.46149(16) 0.0474(16) Uani 1 1 d . U . . .
C15 C 0.9779(6) 0.7558(6) 0.7305(2) 0.055(2) Uani 1 1 d . U . . .
H15 H 0.955602 0.771884 0.755580 0.066 Uiso 1 1 calc R . . . .
C40 C 1.0015(6) 0.5921(6) 0.5376(2) 0.0499(18) Uani 1 1 d . U . . .
C1 C 0.8003(6) 0.7636(6) 0.6392(2) 0.0518(19) Uani 1 1 d . U . . .
F4 F 0.9417(4) -0.0153(4) 0.46931(15) 0.0822(17) Uani 1 1 d . U . . .
C73 C 0.7180(6) 0.2886(6) 0.4254(2) 0.0485(18) Uani 1 1 d . U . . .
C67 C 0.8507(5) 0.1850(5) 0.41427(19) 0.0465(17) Uani 1 1 d . U . . .
C39 C 1.0786(6) 0.5309(6) 0.5440(2) 0.0499(18) Uani 1 1 d . U . . .
F1 F 0.8997(5) 0.9933(4) 0.6184(2) 0.107(2) Uani 1 1 d . U . . .
C56 C 1.1899(5) 0.3472(6) 0.37905(19) 0.0454(17) Uani 1 1 d . U . . .
C49 C 0.8739(6) 0.4451(6) 0.4768(2) 0.0501(18) Uani 1 1 d . U . . .
C24 C 0.8829(7) 0.2332(6) 0.6307(2) 0.061(2) Uani 1 1 d . U . . .
H24 H 0.912757 0.174279 0.635414 0.073 Uiso 1 1 calc R . . . .
C65 C 1.0705(6) 0.0937(6) 0.31528(19) 0.0493(19) Uani 1 1 d . U . . .
H65 H 1.064785 0.036804 0.300877 0.059 Uiso 1 1 calc R . . . .
C41 C 0.9484(5) 0.5947(5) 0.57253(19) 0.0409(16) Uani 1 1 d . U . . .
C81 C 0.9325(6) 0.5190(6) 0.2960(2) 0.0443(18) Uani 1 1 d . U . . .
C48 C 0.8930(6) 0.4836(6) 0.4398(2) 0.0484(18) Uani 1 1 d . U . . .
C47 C 0.8328(6) 0.5556(6) 0.4264(2) 0.055(2) Uani 1 1 d . U . . .
H47 H 0.843365 0.584123 0.401823 0.067 Uiso 1 1 calc R . . . .
C79 C 1.0243(6) 0.6377(6) 0.3275(2) 0.054(2) Uani 1 1 d . U . . .
H79 H 1.054332 0.697652 0.327286 0.064 Uiso 1 1 calc R . . . .
C22 C 0.8408(6) 0.4360(6) 0.72781(19) 0.048(2) Uani 1 1 d . U . . .
H22 H 0.830501 0.379730 0.713417 0.058 Uiso 1 1 calc R . . . .
C38 C 1.0699(5) 0.5036(6) 0.5839(2) 0.0441(17) Uani 1 1 d . U . . .
C62 C 1.1646(6) 0.2152(6) 0.34308(19) 0.0445(16) Uani 1 1 d . U . . .
C72 C 0.7735(6) 0.2077(6) 0.4390(2) 0.0484(18) Uani 1 1 d . U . . .
C80 C 0.9768(6) 0.6027(6) 0.2950(2) 0.050(2) Uani 1 1 d . U . . .
H80 H 0.975914 0.638872 0.271827 0.060 Uiso 1 1 calc R . . . .
C28 C 0.6772(6) 0.3571(6) 0.5831(2) 0.0502(17) Uani 1 1 d . U . . .
C25 C 0.7995(6) 0.2361(6) 0.6094(2) 0.057(2) Uani 1 1 d . U . . .
H25 H 0.771098 0.180005 0.599831 0.068 Uiso 1 1 calc R . . . .
C42 C 0.9686(6) 0.6452(6) 0.5071(2) 0.060(2) Uani 1 1 d . U . . .
H42 H 1.001042 0.643323 0.483000 0.071 Uiso 1 1 calc R . . . .
C17 C 0.9068(5) 0.5903(6) 0.7347(2) 0.0427(17) Uani 1 1 d . U . . .
C53 C 1.0038(7) 0.2594(7) 0.5338(2) 0.065(2) Uani 1 1 d . U . . .
H53 H 1.005978 0.231647 0.558797 0.078 Uiso 1 1 calc R . . . .
C43 C 0.8892(7) 0.7013(7) 0.5107(2) 0.067(2) Uani 1 1 d . U . . .
H43 H 0.868952 0.741130 0.490182 0.080 Uiso 1 1 calc R . . . .
C13 C 1.0606(6) 0.7966(6) 0.6736(2) 0.056(2) Uani 1 1 d . U . . .
H13 H 1.096906 0.840110 0.658873 0.068 Uiso 1 1 calc R . . . .
C14 C 1.0266(6) 0.8202(6) 0.7100(2) 0.057(2) Uani 1 1 d . U . . .
H14 H 1.037570 0.881329 0.720337 0.069 Uiso 1 1 calc R . . . .
C37 C 1.1531(7) 0.4933(7) 0.5220(2) 0.066(2) Uani 1 1 d . U . . .
H37 H 1.158248 0.507243 0.495169 0.080 Uiso 1 1 calc R . . . .
C20 C 0.8045(6) 0.4455(6) 0.7643(2) 0.058(2) Uani 1 1 d . U . . .
C52 C 0.9382(7) 0.3282(7) 0.5254(2) 0.062(2) Uani 1 1 d . U . . .
H52 H 0.893315 0.346468 0.544429 0.075 Uiso 1 1 calc R . . . .
C2 C 0.8485(6) 0.8374(6) 0.6213(3) 0.060(2) Uani 1 1 d . U . . .
H2 H 0.880089 0.826542 0.597419 0.072 Uiso 1 1 calc R . . . .
C11 C 0.6571(6) 0.5496(6) 0.6854(2) 0.055(2) Uani 1 1 d . U . . .
H11 H 0.655472 0.493308 0.670417 0.066 Uiso 1 1 calc R . . . .
C85 C 0.7927(6) 0.3134(6) 0.2744(2) 0.049(2) Uani 1 1 d . U . . .
H85 H 0.774380 0.258441 0.288220 0.059 Uiso 1 1 calc R . . . .
C34 C 1.1365(6) 0.4439(6) 0.5995(2) 0.060(2) Uani 1 1 d . U . . .
H34 H 1.131163 0.424622 0.625772 0.072 Uiso 1 1 calc R . . . .
C33 C 0.6044(6) 0.3133(7) 0.56199(19) 0.061(2) Uani 1 1 d . U . . .
H33 H 0.603967 0.246872 0.558221 0.074 Uiso 1 1 calc R . . . .
C88 C 0.8463(6) 0.4732(6) 0.23129(19) 0.051(2) Uani 1 1 d . U . . .
H88 H 0.865137 0.526458 0.216441 0.061 Uiso 1 1 calc R . . . .
C69 C 0.8133(6) 0.0829(7) 0.4828(2) 0.072(2) Uani 1 1 d . U . . .
H69 H 0.801139 0.048305 0.505815 0.086 Uiso 1 1 calc R . . . .
C63 C 1.1582(6) 0.1343(6) 0.32059(18) 0.0470(18) Uani 1 1 d . U . . .
H63 H 1.212823 0.107399 0.309089 0.056 Uiso 1 1 calc R . . . .
C71 C 0.7571(6) 0.1591(6) 0.4728(2) 0.061(2) Uani 1 1 d . U . . .
H71 H 0.707089 0.177881 0.489415 0.073 Uiso 1 1 calc R . . . .
C44 C 0.8397(6) 0.6972(6) 0.5458(2) 0.055(2) Uani 1 1 d . U . . .
H44 H 0.784361 0.734465 0.548582 0.066 Uiso 1 1 calc R . . . .
C29 C 0.6771(6) 0.4558(6) 0.58839(19) 0.0454(16) Uani 1 1 d . U . . .
C6 C 0.7554(7) 0.7860(7) 0.6741(2) 0.064(2) Uani 1 1 d . U . . .
C9 C 0.6618(8) 0.7078(8) 0.7291(3) 0.084(3) Uani 1 1 d . U . . .
H9 H 0.665378 0.762821 0.744784 0.101 Uiso 1 1 calc R . . . .
C82 C 0.9358(6) 0.4634(6) 0.33107(19) 0.0439(18) Uani 1 1 d . U . . .
C21 C 0.8932(5) 0.5100(6) 0.71197(19) 0.0428(17) Uani 1 1 d . U . . .
C68 C 0.9073(6) 0.1073(6) 0.4253(2) 0.055(2) Uani 1 1 d . U . . .
H68 H 0.959420 0.088664 0.409769 0.066 Uiso 1 1 calc R . . . .
C77 C 0.7034(6) 0.4040(6) 0.3781(2) 0.0498(19) Uani 1 1 d . U . . .
H77 H 0.727240 0.433222 0.355388 0.060 Uiso 1 1 calc R . . . .
C35 C 1.2089(7) 0.4128(7) 0.5780(3) 0.069(2) Uani 1 1 d . U . . .
H35 H 1.255188 0.373211 0.589445 0.083 Uiso 1 1 calc R . . . .
C23 C 0.9225(7) 0.3145(6) 0.6448(2) 0.054(2) Uani 1 1 d . U . . .
H23 H 0.978690 0.310054 0.659672 0.064 Uiso 1 1 calc R . . . .
C86 C 0.7626(6) 0.3283(6) 0.2368(2) 0.054(2) Uani 1 1 d . U . . .
H86 H 0.721671 0.283244 0.225227 0.065 Uiso 1 1 calc R . . . .
C58 C 1.3382(6) 0.4254(7) 0.3882(2) 0.067(2) Uani 1 1 d . U . . .
H58 H 1.374271 0.475854 0.398661 0.080 Uiso 1 1 calc R . . . .
C75 C 0.5884(6) 0.3970(6) 0.4273(2) 0.056(2) Uani 1 1 d . U . . .
H75 H 0.531724 0.418747 0.439026 0.068 Uiso 1 1 calc R . . . .
C74 C 0.6369(6) 0.3228(6) 0.4433(2) 0.050(2) Uani 1 1 d . U . . .
H74 H 0.614962 0.294670 0.466567 0.060 Uiso 1 1 calc R . . . .
C57 C 1.2435(6) 0.4213(6) 0.3957(2) 0.055(2) Uani 1 1 d . U . . .
H57 H 1.214214 0.467266 0.411742 0.065 Uiso 1 1 calc R . . . .
C76 C 0.6219(6) 0.4400(6) 0.3943(2) 0.054(2) Uani 1 1 d . U . . .
H76 H 0.590287 0.492476 0.383106 0.065 Uiso 1 1 calc R . . . .
C64 C 0.9915(6) 0.1353(6) 0.33078(19) 0.0481(19) Uani 1 1 d . U . . .
H64 H 0.932137 0.106450 0.325836 0.058 Uiso 1 1 calc R . . . .
C59 C 1.3829(6) 0.3576(7) 0.3657(2) 0.068(2) Uani 1 1 d . U . . .
H59 H 1.449022 0.361953 0.361615 0.082 Uiso 1 1 calc R . . . .
C7 C 0.7057(6) 0.7079(7) 0.6931(2) 0.061(2) Uani 1 1 d . U . . .
C55 C 1.0672(7) 0.2310(7) 0.5050(2) 0.061(2) Uani 1 1 d . U . . .
H55 H 1.111976 0.182385 0.509709 0.073 Uiso 1 1 calc R . . . .
C45 C 0.7393(7) 0.5465(6) 0.4847(2) 0.060(2) Uani 1 1 d . U . . .
H45 H 0.687647 0.569113 0.499590 0.072 Uiso 1 1 calc R . . . .
C60 C 1.3335(6) 0.2844(7) 0.3491(2) 0.056(2) Uani 1 1 d . U . . .
H60 H 1.364613 0.238932 0.333421 0.068 Uiso 1 1 calc R . . . .
C8 C 0.6144(8) 0.6318(8) 0.7427(3) 0.085(3) Uani 1 1 d . U . . .
H8 H 0.583501 0.633310 0.767116 0.102 Uiso 1 1 calc R . . . .
C30 C 0.6039(6) 0.5127(7) 0.5731(2) 0.056(2) Uani 1 1 d . U . . .
H30 H 0.602657 0.579230 0.576566 0.067 Uiso 1 1 calc R . . . .
C54 C 1.0627(6) 0.2758(6) 0.4697(2) 0.052(2) Uani 1 1 d . U . . .
H54 H 1.105371 0.256402 0.449990 0.063 Uiso 1 1 calc R . . . .
C5 C 0.7648(8) 0.8745(7) 0.6913(3) 0.078(3) Uani 1 1 d . U . . .
H5 H 0.738421 0.885552 0.716232 0.094 Uiso 1 1 calc R . . . .
C36 C 1.2172(8) 0.4374(7) 0.5394(3) 0.078(3) Uani 1 1 d . U . . .
H36 H 1.269193 0.414317 0.524887 0.094 Uiso 1 1 calc R . . . .
C70 C 0.8856(6) 0.0584(7) 0.4592(2) 0.062(2) Uani 1 1 d . U . . .
C32 C 0.5338(6) 0.3690(7) 0.5469(2) 0.069(2) Uani 1 1 d . U . . .
H32 H 0.484442 0.341042 0.532255 0.083 Uiso 1 1 calc R . . . .
C87 C 0.7893(6) 0.4048(6) 0.2155(2) 0.053(2) Uani 1 1 d . U . . .
H87 H 0.768274 0.410966 0.189510 0.064 Uiso 1 1 calc R . . . .
C46 C 0.7592(6) 0.5840(6) 0.4489(2) 0.056(2) Uani 1 1 d . U . . .
C31 C 0.5344(6) 0.4652(7) 0.5529(2) 0.065(2) Uani 1 1 d . U . . .
H31 H 0.483762 0.501056 0.542528 0.078 Uiso 1 1 calc R . . . .
C10 C 0.6124(7) 0.5524(7) 0.7199(2) 0.074(3) Uani 1 1 d . U . . .
H10 H 0.578855 0.498326 0.728595 0.089 Uiso 1 1 calc R . . . .
C4 C 0.8121(7) 0.9462(7) 0.6725(3) 0.084(3) Uani 1 1 d . U . . .
H4 H 0.817069 1.007483 0.683501 0.101 Uiso 1 1 calc R . . . .
C3 C 0.8510(7) 0.9260(7) 0.6379(3) 0.075(2) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt2 Pt1 2.9671(4) . ?
Pt2 N2 2.022(6) . ?
Pt2 N3 2.022(6) . ?
Pt2 N5 2.120(5) . ?
Pt2 C21 2.003(7) . ?
Pt4 Pt3 2.9567(4) . ?
Pt4 N11 2.026(6) . ?
Pt4 N9 2.119(6) . ?
Pt4 N10 2.018(6) . ?
Pt4 C67 1.984(7) . ?
Pt3 N8 2.019(6) . ?
Pt3 N12 2.120(6) . ?
Pt3 N7 2.015(6) . ?
Pt3 C48 1.994(8) . ?
Pt1 N6 2.016(6) . ?
Pt1 N1 2.015(6) . ?
Pt1 N4 2.135(6) . ?
Pt1 C1 1.990(8) . ?
N8 C78 1.339(10) . ?
N8 C82 1.370(9) . ?
N2 C16 1.382(9) . ?
N2 C12 1.325(10) . ?
N11 C66 1.362(10) . ?
N11 C64 1.359(10) . ?
N3 C27 1.339(10) . ?
N3 C23 1.348(10) . ?
N6 C41 1.342(10) . ?
N6 C44 1.363(9) . ?
N5 C41 1.352(9) . ?
N5 C38 1.369(10) . ?
F2 C20 1.360(10) . ?
N9 C83 1.389(9) . ?
N9 C82 1.341(10) . ?
F3 C46 1.356(10) . ?
N12 C66 1.339(9) . ?
N12 C56 1.373(10) . ?
N1 C11 1.350(11) . ?
N1 C7 1.380(11) . ?
C50 H50 0.9500 . ?
C50 C49 1.397(11) . ?
C50 C45 1.370(12) . ?
C84 C83 1.425(11) . ?
C84 C81 1.447(10) . ?
C84 C88 1.406(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.353(12) . ?
C18 C17 1.377(10) . ?
C61 C56 1.425(11) . ?
C61 C62 1.435(11) . ?
C61 C60 1.389(11) . ?
N4 C27 1.351(10) . ?
N4 C29 1.409(10) . ?
C16 C15 1.379(11) . ?
C16 C17 1.469(11) . ?
C83 C85 1.386(11) . ?
N10 C73 1.362(9) . ?
N10 C77 1.331(10) . ?
C51 N7 1.371(10) . ?
C51 C49 1.444(12) . ?
C51 C52 1.400(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.349(11) . ?
C27 C26 1.435(10) . ?
C78 H78 0.9500 . ?
C78 C79 1.393(10) . ?
C66 C62 1.457(11) . ?
C26 C28 1.447(11) . ?
C26 C25 1.360(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(12) . ?
N7 C54 1.322(10) . ?
C15 H15 0.9500 . ?
C15 C14 1.345(12) . ?
C40 C39 1.412(12) . ?
C40 C41 1.422(10) . ?
C40 C42 1.374(11) . ?
C1 C2 1.393(12) . ?
C1 C6 1.398(11) . ?
F4 C70 1.357(10) . ?
C73 C72 1.467(11) . ?
C73 C74 1.391(11) . ?
C67 C72 1.424(11) . ?
C67 C68 1.414(11) . ?
C39 C38 1.438(10) . ?
C39 C37 1.404(12) . ?
F1 C3 1.356(12) . ?
C56 C57 1.418(11) . ?
C49 C48 1.416(10) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(12) . ?
C24 C23 1.371(12) . ?
C65 H65 0.9500 . ?
C65 C63 1.382(12) . ?
C65 C64 1.374(11) . ?
C81 C80 1.343(11) . ?
C81 C82 1.444(10) . ?
C48 C47 1.409(12) . ?
C47 H47 0.9500 . ?
C47 C46 1.360(11) . ?
C79 H79 0.9500 . ?
C79 C80 1.398(11) . ?
C22 H22 0.9500 . ?
C22 C20 1.366(10) . ?
C22 C21 1.397(11) . ?
C38 C34 1.376(12) . ?
C62 C63 1.388(11) . ?
C72 C71 1.375(11) . ?
C80 H80 0.9500 . ?
C28 C33 1.408(11) . ?
C28 C29 1.411(12) . ?
C25 H25 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.383(13) . ?
C17 C21 1.395(10) . ?
C53 H53 0.9500 . ?
C53 C52 1.377(13) . ?
C53 C55 1.398(12) . ?
C43 H43 0.9500 . ?
C43 C44 1.401(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.386(11) . ?
C14 H14 0.9500 . ?
C37 H37 0.9500 . ?
C37 C36 1.347(14) . ?
C52 H52 0.9500 . ?
C2 H2 0.9500 . ?
C2 C3 1.380(12) . ?
C11 H11 0.9500 . ?
C11 C10 1.350(11) . ?
C85 H85 0.9500 . ?
C85 C86 1.383(10) . ?
C34 H34 0.9500 . ?
C34 C35 1.341(12) . ?
C33 H33 0.9500 . ?
C33 C32 1.376(13) . ?
C88 H88 0.9500 . ?
C88 C87 1.374(12) . ?
C69 H69 0.9500 . ?
C69 C71 1.384(13) . ?
C69 C70 1.353(12) . ?
C63 H63 0.9500 . ?
C71 H71 0.9500 . ?
C44 H44 0.9500 . ?
C29 C30 1.415(12) . ?
C6 C7 1.466(13) . ?
C6 C5 1.395(13) . ?
C9 H9 0.9500 . ?
C9 C7 1.391(12) . ?
C9 C8 1.353(15) . ?
C68 H68 0.9500 . ?
C68 C70 1.396(11) . ?
C77 H77 0.9500 . ?
C77 C76 1.380(11) . ?
C35 H35 0.9500 . ?
C35 C36 1.379(13) . ?
C23 H23 0.9500 . ?
C86 H86 0.9500 . ?
C86 C87 1.362(12) . ?
C58 H58 0.9500 . ?
C58 C57 1.368(12) . ?
C58 C59 1.388(13) . ?
C75 H75 0.9500 . ?
C75 C74 1.371(12) . ?
C75 C76 1.376(11) . ?
C74 H74 0.9500 . ?
C57 H57 0.9500 . ?
C76 H76 0.9500 . ?
C64 H64 0.9500 . ?
C59 H59 0.9500 . ?
C59 C60 1.376(13) . ?
C55 H55 0.9500 . ?
C55 C54 1.376(10) . ?
C45 H45 0.9500 . ?
C45 C46 1.374(11) . ?
C60 H60 0.9500 . ?
C8 H8 0.9500 . ?
C8 C10 1.373(14) . ?
C30 H30 0.9500 . ?
C30 C31 1.382(12) . ?
C54 H54 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.380(14) . ?
C36 H36 0.9500 . ?
C32 H32 0.9500 . ?
C32 C31 1.378(14) . ?
C87 H87 0.9500 . ?
C31 H31 0.9500 . ?
C10 H10 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.346(13) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Pt2 Pt1 87.77(18) . . ?
N2 Pt2 N3 175.8(3) . . ?
N2 Pt2 N5 95.9(2) . . ?
N3 Pt2 Pt1 89.80(18) . . ?
N3 Pt2 N5 87.0(2) . . ?
N5 Pt2 Pt1 78.48(17) . . ?
C21 Pt2 Pt1 98.7(2) . . ?
C21 Pt2 N2 81.7(3) . . ?
C21 Pt2 N3 95.3(3) . . ?
C21 Pt2 N5 176.4(3) . . ?
N11 Pt4 Pt3 86.36(18) . . ?
N11 Pt4 N9 88.9(2) . . ?
N9 Pt4 Pt3 77.67(17) . . ?
N10 Pt4 Pt3 94.49(18) . . ?
N10 Pt4 N11 176.5(2) . . ?
N10 Pt4 N9 94.6(2) . . ?
C67 Pt4 Pt3 100.2(2) . . ?
C67 Pt4 N11 94.9(3) . . ?
C67 Pt4 N9 175.5(3) . . ?
C67 Pt4 N10 81.6(3) . . ?
N8 Pt3 Pt4 87.43(18) . . ?
N8 Pt3 N12 88.0(2) . . ?
N12 Pt3 Pt4 78.30(17) . . ?
N7 Pt3 Pt4 95.87(19) . . ?
N7 Pt3 N8 175.3(3) . . ?
N7 Pt3 N12 95.9(2) . . ?
C48 Pt3 Pt4 97.7(2) . . ?
C48 Pt3 N8 94.7(3) . . ?
C48 Pt3 N12 175.1(3) . . ?
C48 Pt3 N7 81.6(3) . . ?
N6 Pt1 Pt2 85.70(18) . . ?
N6 Pt1 N4 90.1(2) . . ?
N1 Pt1 Pt2 94.50(18) . . ?
N1 Pt1 N6 176.1(3) . . ?
N1 Pt1 N4 93.7(2) . . ?
N4 Pt1 Pt2 74.57(17) . . ?
C1 Pt1 Pt2 106.9(2) . . ?
C1 Pt1 N6 93.9(3) . . ?
C1 Pt1 N1 82.3(3) . . ?
C1 Pt1 N4 175.8(3) . . ?
C78 N8 Pt3 122.0(5) . . ?
C78 N8 C82 117.5(6) . . ?
C82 N8 Pt3 120.4(5) . . ?
C16 N2 Pt2 114.2(5) . . ?
C12 N2 Pt2 126.0(5) . . ?
C12 N2 C16 119.3(7) . . ?
C66 N11 Pt4 121.7(5) . . ?
C64 N11 Pt4 121.6(5) . . ?
C64 N11 C66 116.6(7) . . ?
C27 N3 Pt2 118.4(5) . . ?
C27 N3 C23 117.8(7) . . ?
C23 N3 Pt2 123.8(5) . . ?
C41 N6 Pt1 122.4(5) . . ?
C41 N6 C44 117.2(6) . . ?
C44 N6 Pt1 120.4(5) . . ?
C41 N5 Pt2 126.5(5) . . ?
C41 N5 C38 107.0(6) . . ?
C38 N5 Pt2 126.4(5) . . ?
C83 N9 Pt4 126.4(5) . . ?
C82 N9 Pt4 128.3(5) . . ?
C82 N9 C83 105.3(6) . . ?
C66 N12 Pt3 127.7(5) . . ?
C66 N12 C56 105.7(6) . . ?
C56 N12 Pt3 126.5(5) . . ?
C11 N1 Pt1 126.0(5) . . ?
C11 N1 C7 119.8(7) . . ?
C7 N1 Pt1 114.1(5) . . ?
C49 C50 H50 119.7 . . ?
C45 C50 H50 119.7 . . ?
C45 C50 C49 120.6(7) . . ?
C83 C84 C81 105.5(6) . . ?
C88 C84 C83 120.3(7) . . ?
C88 C84 C81 134.2(7) . . ?
C19 C18 H18 119.0 . . ?
C19 C18 C17 122.0(8) . . ?
C17 C18 H18 119.0 . . ?
C56 C61 C62 105.3(7) . . ?
C60 C61 C56 121.1(8) . . ?
C60 C61 C62 133.5(8) . . ?
C27 N4 Pt1 131.6(5) . . ?
C27 N4 C29 105.5(6) . . ?
C29 N4 Pt1 122.8(5) . . ?
N2 C16 C17 114.3(7) . . ?
C15 C16 N2 118.0(7) . . ?
C15 C16 C17 127.7(7) . . ?
N9 C83 C84 111.8(7) . . ?
C85 C83 N9 128.9(7) . . ?
C85 C83 C84 119.3(6) . . ?
C73 N10 Pt4 114.9(5) . . ?
C77 N10 Pt4 126.2(5) . . ?
C77 N10 C73 118.9(7) . . ?
N7 C51 C49 115.0(6) . . ?
N7 C51 C52 119.7(8) . . ?
C52 C51 C49 125.3(7) . . ?
N2 C12 H12 118.2 . . ?
N2 C12 C13 123.6(7) . . ?
C13 C12 H12 118.2 . . ?
N3 C27 N4 125.6(7) . . ?
N3 C27 C26 121.5(7) . . ?
N4 C27 C26 112.9(7) . . ?
N8 C78 H78 117.5 . . ?
N8 C78 C79 125.0(7) . . ?
C79 C78 H78 117.5 . . ?
N11 C66 C62 121.6(7) . . ?
N12 C66 N11 125.6(7) . . ?
N12 C66 C62 112.7(7) . . ?
C27 C26 C28 104.4(7) . . ?
C25 C26 C27 119.8(7) . . ?
C25 C26 C28 135.8(8) . . ?
C18 C19 H19 121.6 . . ?
C18 C19 C20 116.8(7) . . ?
C20 C19 H19 121.6 . . ?
C51 N7 Pt3 114.6(5) . . ?
C54 N7 Pt3 126.1(5) . . ?
C54 N7 C51 119.3(6) . . ?
C16 C15 H15 119.2 . . ?
C14 C15 C16 121.7(7) . . ?
C14 C15 H15 119.2 . . ?
C39 C40 C41 106.9(6) . . ?
C42 C40 C39 135.9(8) . . ?
C42 C40 C41 117.1(8) . . ?
C2 C1 Pt1 130.7(6) . . ?
C2 C1 C6 115.7(8) . . ?
C6 C1 Pt1 113.5(6) . . ?
N10 C73 C72 115.2(7) . . ?
N10 C73 C74 119.7(7) . . ?
C74 C73 C72 125.1(7) . . ?
C72 C67 Pt4 114.4(6) . . ?
C68 C67 Pt4 128.5(6) . . ?
C68 C67 C72 116.8(7) . . ?
C40 C39 C38 104.5(7) . . ?
C37 C39 C40 136.9(7) . . ?
C37 C39 C38 118.6(8) . . ?
N12 C56 C61 112.4(7) . . ?
N12 C56 C57 128.9(7) . . ?
C57 C56 C61 118.7(7) . . ?
C50 C49 C51 124.5(7) . . ?
C50 C49 C48 120.7(8) . . ?
C48 C49 C51 114.8(7) . . ?
C25 C24 H24 119.7 . . ?
C23 C24 H24 119.7 . . ?
C23 C24 C25 120.7(8) . . ?
C63 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C64 C65 C63 120.2(8) . . ?
N6 C41 N5 126.2(6) . . ?
N6 C41 C40 123.2(7) . . ?
N5 C41 C40 110.6(7) . . ?
C80 C81 C84 137.0(7) . . ?
C80 C81 C82 119.2(7) . . ?
C82 C81 C84 103.7(7) . . ?
C49 C48 Pt3 113.5(6) . . ?
C47 C48 Pt3 128.6(5) . . ?
C47 C48 C49 117.4(7) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 C48 119.4(7) . . ?
C46 C47 H47 120.3 . . ?
C78 C79 H79 121.7 . . ?
C78 C79 C80 116.6(8) . . ?
C80 C79 H79 121.7 . . ?
C20 C22 H22 120.5 . . ?
C20 C22 C21 119.1(7) . . ?
C21 C22 H22 120.5 . . ?
N5 C38 C39 110.9(7) . . ?
N5 C38 C34 130.3(7) . . ?
C34 C38 C39 118.8(7) . . ?
C61 C62 C66 103.9(7) . . ?
C63 C62 C61 137.5(8) . . ?
C63 C62 C66 118.6(7) . . ?
C67 C72 C73 113.5(6) . . ?
C71 C72 C73 124.9(7) . . ?
C71 C72 C67 121.6(8) . . ?
C81 C80 C79 121.2(7) . . ?
C81 C80 H80 119.4 . . ?
C79 C80 H80 119.4 . . ?
C33 C28 C26 133.6(8) . . ?
C33 C28 C29 120.2(8) . . ?
C29 C28 C26 106.2(7) . . ?
C26 C25 C24 117.5(8) . . ?
C26 C25 H25 121.3 . . ?
C24 C25 H25 121.3 . . ?
C40 C42 H42 119.3 . . ?
C40 C42 C43 121.4(7) . . ?
C43 C42 H42 119.3 . . ?
C18 C17 C16 123.9(7) . . ?
C18 C17 C21 120.9(7) . . ?
C21 C17 C16 115.2(6) . . ?
C52 C53 H53 120.3 . . ?
C52 C53 C55 119.3(8) . . ?
C55 C53 H53 120.3 . . ?
C42 C43 H43 121.3 . . ?
C42 C43 C44 117.5(8) . . ?
C44 C43 H43 121.3 . . ?
C12 C13 H13 121.0 . . ?
C12 C13 C14 118.0(8) . . ?
C14 C13 H13 121.0 . . ?
C15 C14 C13 119.4(8) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C39 C37 H37 120.4 . . ?
C36 C37 C39 119.3(8) . . ?
C36 C37 H37 120.4 . . ?
F2 C20 C19 118.1(7) . . ?
F2 C20 C22 118.4(8) . . ?
C22 C20 C19 123.4(8) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0(8) . . ?
C53 C52 H52 120.0 . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.8(9) . . ?
C3 C2 H2 119.6 . . ?
N1 C11 H11 119.5 . . ?
N1 C11 C10 121.0(8) . . ?
C10 C11 H11 119.5 . . ?
C83 C85 H85 120.8 . . ?
C86 C85 C83 118.4(8) . . ?
C86 C85 H85 120.8 . . ?
C38 C34 H34 119.7 . . ?
C35 C34 C38 120.7(8) . . ?
C35 C34 H34 119.7 . . ?
C28 C33 H33 120.8 . . ?
C32 C33 C28 118.4(9) . . ?
C32 C33 H33 120.8 . . ?
C84 C88 H88 120.8 . . ?
C87 C88 C84 118.4(7) . . ?
C87 C88 H88 120.8 . . ?
C71 C69 H69 120.4 . . ?
C70 C69 H69 120.4 . . ?
C70 C69 C71 119.1(8) . . ?
C65 C63 C62 118.5(7) . . ?
C65 C63 H63 120.7 . . ?
C62 C63 H63 120.7 . . ?
C72 C71 C69 120.3(8) . . ?
C72 C71 H71 119.8 . . ?
C69 C71 H71 119.8 . . ?
N6 C44 C43 123.2(8) . . ?
N6 C44 H44 118.4 . . ?
C43 C44 H44 118.4 . . ?
N4 C29 C28 111.0(7) . . ?
N4 C29 C30 127.8(7) . . ?
C28 C29 C30 121.2(7) . . ?
C1 C6 C7 115.6(8) . . ?
C5 C6 C1 121.9(9) . . ?
C5 C6 C7 122.3(8) . . ?
C7 C9 H9 118.9 . . ?
C8 C9 H9 118.9 . . ?
C8 C9 C7 122.2(10) . . ?
N8 C82 C81 120.4(7) . . ?
N9 C82 N8 126.0(6) . . ?
N9 C82 C81 113.6(6) . . ?
C22 C21 Pt2 128.0(5) . . ?
C17 C21 Pt2 113.9(5) . . ?
C17 C21 C22 117.8(6) . . ?
C67 C68 H68 120.4 . . ?
C70 C68 C67 119.2(8) . . ?
C70 C68 H68 120.4 . . ?
N10 C77 H77 118.1 . . ?
N10 C77 C76 123.9(7) . . ?
C76 C77 H77 118.1 . . ?
C34 C35 H35 119.5 . . ?
C34 C35 C36 121.1(9) . . ?
C36 C35 H35 119.5 . . ?
N3 C23 C24 122.8(8) . . ?
N3 C23 H23 118.6 . . ?
C24 C23 H23 118.6 . . ?
C85 C86 H86 118.6 . . ?
C87 C86 C85 122.7(8) . . ?
C87 C86 H86 118.6 . . ?
C57 C58 H58 119.2 . . ?
C57 C58 C59 121.6(9) . . ?
C59 C58 H58 119.2 . . ?
C74 C75 H75 120.1 . . ?
C74 C75 C76 119.9(8) . . ?
C76 C75 H75 120.1 . . ?
C73 C74 H74 119.9 . . ?
C75 C74 C73 120.3(7) . . ?
C75 C74 H74 119.9 . . ?
C56 C57 H57 120.6 . . ?
C58 C57 C56 118.7(8) . . ?
C58 C57 H57 120.6 . . ?
C77 C76 H76 121.3 . . ?
C75 C76 C77 117.4(8) . . ?
C75 C76 H76 121.3 . . ?
N11 C64 C65 124.4(8) . . ?
N11 C64 H64 117.8 . . ?
C65 C64 H64 117.8 . . ?
C58 C59 H59 119.2 . . ?
C60 C59 C58 121.5(8) . . ?
C60 C59 H59 119.2 . . ?
N1 C7 C6 114.1(7) . . ?
N1 C7 C9 117.9(9) . . ?
C9 C7 C6 128.0(9) . . ?
C53 C55 H55 121.1 . . ?
C54 C55 C53 117.7(8) . . ?
C54 C55 H55 121.1 . . ?
C50 C45 H45 121.0 . . ?
C50 C45 C46 118.1(8) . . ?
C46 C45 H45 121.0 . . ?
C61 C60 H60 120.9 . . ?
C59 C60 C61 118.3(8) . . ?
C59 C60 H60 120.9 . . ?
C9 C8 H8 121.2 . . ?
C9 C8 C10 117.7(9) . . ?
C10 C8 H8 121.2 . . ?
C29 C30 H30 122.2 . . ?
C31 C30 C29 115.6(8) . . ?
C31 C30 H30 122.2 . . ?
N7 C54 C55 123.9(8) . . ?
N7 C54 H54 118.0 . . ?
C55 C54 H54 118.0 . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.5(9) . . ?
C4 C5 H5 119.8 . . ?
C37 C36 C35 121.4(9) . . ?
C37 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
F4 C70 C68 117.9(8) . . ?
C69 C70 F4 119.2(8) . . ?
C69 C70 C68 122.9(9) . . ?
C33 C32 H32 119.8 . . ?
C33 C32 C31 120.4(8) . . ?
C31 C32 H32 119.8 . . ?
C88 C87 H87 119.6 . . ?
C86 C87 C88 120.8(7) . . ?
C86 C87 H87 119.6 . . ?
F3 C46 C47 118.5(7) . . ?
F3 C46 C45 117.7(7) . . ?
C47 C46 C45 123.8(8) . . ?
C30 C31 H31 117.9 . . ?
C32 C31 C30 124.2(9) . . ?
C32 C31 H31 117.9 . . ?
C11 C10 C8 121.3(10) . . ?
C11 C10 H10 119.3 . . ?
C8 C10 H10 119.3 . . ?
C5 C4 H4 121.3 . . ?
C3 C4 C5 117.4(9) . . ?
C3 C4 H4 121.3 . . ?
F1 C3 C2 116.6(9) . . ?
C4 C3 F1 119.9(9) . . ?
C4 C3 C2 123.4(10) . . ?

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

data_0108zymth_0m
_database_code_depnum_ccdc_archive 'CCDC 2209084'
loop_
_audit_author_name
_audit_author_address
'Wen '
;Shenzhen university
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-01-31 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            'C42 H30 N6 Pt2 S2'
_chemical_formula_weight         1073.02

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'
S S 0.1246 0.1234 '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/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   10.9057(6)
_cell_length_b                   29.2548(13)
_cell_length_c                   11.7171(6)
_cell_angle_alpha                90
_cell_angle_beta                 107.714(2)
_cell_angle_gamma                90
_cell_volume                     3561.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.001
_exptl_crystal_F_000             2048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    8.007
_shelx_estimated_absorpt_T_min   0.380
_shelx_estimated_absorpt_T_max   0.690
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33538
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_av_R_equivalents  0.0901
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         1.953
_diffrn_reflns_theta_max         26.390
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             7239
_reflns_number_gt                5308
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0101P)²+18.8295P] 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         7239
_refine_ls_number_parameters     471
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0748
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0834
_refine_ls_wR_factor_gt          0.0710
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.44446(3) 0.42321(2) 0.62527(3) 0.02159(9) Uani 1 1 d . . . . .
Pt2 Pt 0.52699(3) 0.35764(2) 0.82519(3) 0.02118(9) Uani 1 1 d . . . . .
S2 S 0.4497(2) 0.33105(8) 0.3257(2) 0.0320(5) Uani 1 1 d . . . . .
S1 S 0.2015(2) 0.26156(8) 0.6918(2) 0.0332(5) Uani 1 1 d . . . . .
N1 N 0.6202(6) 0.4521(2) 0.6964(6) 0.0235(15) Uani 1 1 d . . . . .
N2 N 0.7004(6) 0.3915(2) 0.8384(6) 0.0232(15) Uani 1 1 d . . . . .
N5 N 0.3753(6) 0.4535(2) 0.7560(6) 0.0245(15) Uani 1 1 d . . . . .
N3 N 0.5554(6) 0.3065(2) 0.7172(6) 0.0232(15) Uani 1 1 d . . . . .
N6 N 0.2758(6) 0.3900(2) 0.5435(6) 0.0278(16) Uani 1 1 d . . . . .
N4 N 0.4789(6) 0.4064(2) 0.9273(6) 0.0278(16) Uani 1 1 d . . . . .
C1 C 0.3630(7) 0.3239(3) 0.8016(7) 0.0224(17) Uani 1 1 d . . . . .
C37 C 0.9140(7) 0.4139(3) 0.9100(7) 0.029(2) Uani 1 1 d . . . . .
C15 C 0.3996(7) 0.3637(3) 0.4275(7) 0.0234(18) Uani 1 1 d . . . . .
C21 C 0.4993(8) 0.4015(3) 1.0459(8) 0.032(2) Uani 1 1 d . . . . .
H21 H 0.549950 0.376330 1.085042 0.038 Uiso 1 1 calc R U . . .
C17 C 0.1716(7) 0.3351(3) 0.3958(7) 0.0262(19) Uani 1 1 d . . . . .
H17 H 0.173486 0.315547 0.331585 0.031 Uiso 1 1 calc R U . . .
C20 C 0.1707(7) 0.3902(3) 0.5794(8) 0.0274(19) Uani 1 1 d . . . . .
H20 H 0.169454 0.409135 0.644823 0.033 Uiso 1 1 calc R U . . .
C16 C 0.2794(7) 0.3620(3) 0.4516(7) 0.0243(18) Uani 1 1 d . . . . .
C35 C 0.8453(8) 0.4465(3) 0.8210(7) 0.028(2) Uani 1 1 d . . . . .
C25 C 0.4060(7) 0.4427(3) 0.8735(7) 0.0237(18) Uani 1 1 d . . . . .
C14 C 0.4968(7) 0.3912(3) 0.4970(7) 0.0231(18) Uani 1 1 d . . . . .
C22 C 0.4507(9) 0.4309(3) 1.1141(8) 0.040(2) Uani 1 1 d . . . . .
H22 H 0.470689 0.426396 1.198106 0.049 Uiso 1 1 calc R U . . .
C41 C 0.8528(8) 0.3461(3) 1.0009(8) 0.031(2) Uani 1 1 d . . . . .
H41 H 0.790300 0.324523 1.007679 0.038 Uiso 1 1 calc R U . . .
C7 C 0.4531(8) 0.2449(3) 0.5890(7) 0.0270(19) Uani 1 1 d . . . . .
H7 H 0.380654 0.225679 0.556804 0.032 Uiso 1 1 calc R U . . .
C27 C 0.2729(7) 0.5036(3) 0.8484(8) 0.0277(19) Uani 1 1 d . . . . .
C24 C 0.3485(8) 0.4732(3) 0.9383(8) 0.029(2) Uani 1 1 d . . . . .
C2 C 0.2516(7) 0.3287(3) 0.8408(7) 0.0264(19) Uani 1 1 d . . . . .
H2 H 0.244583 0.350809 0.897768 0.032 Uiso 1 1 calc R U . . .
C5 C 0.3480(7) 0.2889(3) 0.7211(7) 0.0242(18) Uani 1 1 d . . . . .
C36 C 0.7161(7) 0.4300(3) 0.7823(7) 0.0233(18) Uani 1 1 d . . . . .
C6 C 0.4507(7) 0.2782(3) 0.6724(7) 0.0226(17) Uani 1 1 d . . . . .
C42 C 0.8211(7) 0.3812(3) 0.9175(7) 0.0244(18) Uani 1 1 d . . . . .
C28 C 0.1915(8) 0.5409(3) 0.8482(10) 0.040(2) Uani 1 1 d . . . . .
H28 H 0.181127 0.551495 0.921352 0.048 Uiso 1 1 calc R U . . .
C9 C 0.6672(8) 0.2682(3) 0.6005(8) 0.033(2) Uani 1 1 d . . . . .
H9 H 0.743197 0.264615 0.577819 0.039 Uiso 1 1 calc R U . . .
C8 C 0.5622(9) 0.2401(3) 0.5531(8) 0.035(2) Uani 1 1 d . . . . .
H8 H 0.564835 0.217410 0.495803 0.042 Uiso 1 1 calc R U . . .
C12 C 0.6022(8) 0.3543(3) 0.3768(8) 0.032(2) Uani 1 1 d . . . . .
C40 C 0.9795(8) 0.3437(3) 1.0740(8) 0.035(2) Uani 1 1 d . . . . .
H40 H 1.004207 0.319808 1.131164 0.042 Uiso 1 1 calc R U . . .
C32 C 0.6528(9) 0.4923(3) 0.6541(8) 0.032(2) Uani 1 1 d . . . . .
H32 H 0.587685 0.508582 0.595862 0.039 Uiso 1 1 calc R U . . .
C13 C 0.6129(8) 0.3860(3) 0.4657(7) 0.029(2) Uani 1 1 d . . . . .
H13 H 0.689425 0.402726 0.502488 0.035 Uiso 1 1 calc R U . . .
C23 C 0.3721(8) 0.4673(3) 1.0588(8) 0.032(2) Uani 1 1 d . . . . .
H23 H 0.336015 0.487343 1.103632 0.039 Uiso 1 1 calc R U . . .
C38 C 1.0404(8) 0.4107(3) 0.9861(8) 0.037(2) Uani 1 1 d . . . . .
H38 H 1.102957 0.432757 0.982106 0.045 Uiso 1 1 calc R U . . .
C18 C 0.0658(8) 0.3365(3) 0.4312(9) 0.042(2) Uani 1 1 d . . . . .
H18 H -0.007426 0.318530 0.391595 0.050 Uiso 1 1 calc R U . . .
C39 C 1.0722(8) 0.3759(4) 1.0655(9) 0.044(3) Uani 1 1 d . . . . .
H39 H 1.158299 0.373040 1.116178 0.053 Uiso 1 1 calc R U . . .
C10 C 0.6598(7) 0.3012(3) 0.6810(7) 0.030(2) Uani 1 1 d . . . . .
H10 H 0.731090 0.321079 0.712171 0.036 Uiso 1 1 calc R U . . .
C3 C 0.1559(8) 0.2980(3) 0.7879(8) 0.034(2) Uani 1 1 d . . . . .
C26 C 0.2921(8) 0.4904(3) 0.7392(8) 0.031(2) Uani 1 1 d . . . . .
C19 C 0.0647(8) 0.3641(3) 0.5257(8) 0.034(2) Uani 1 1 d . . . . .
H19 H -0.008638 0.365106 0.553273 0.041 Uiso 1 1 calc R U . . .
C31 C 0.2269(8) 0.5118(3) 0.6315(8) 0.036(2) Uani 1 1 d . . . . .
H31 H 0.239308 0.502578 0.558055 0.044 Uiso 1 1 calc R U . . .
C33 C 0.7753(9) 0.5104(3) 0.6913(8) 0.038(2) Uani 1 1 d . . . . .
H33 H 0.792235 0.538895 0.660190 0.045 Uiso 1 1 calc R U . . .
C34 C 0.8744(9) 0.4870(3) 0.7744(8) 0.038(2) Uani 1 1 d . . . . .
H34 H 0.959788 0.498599 0.798416 0.045 Uiso 1 1 calc R U . . .
C30 C 0.1440(9) 0.5469(3) 0.6350(10) 0.048(3) Uani 1 1 d . . . . .
H30 H 0.096597 0.561423 0.562573 0.058 Uiso 1 1 calc R U . . .
C11 C 0.7061(9) 0.3373(4) 0.3282(9) 0.048(3) Uani 1 1 d . . . . .
H11A H 0.753827 0.312605 0.379326 0.072 Uiso 1 1 calc R U . . .
H11B H 0.765115 0.362384 0.326782 0.072 Uiso 1 1 calc R U . . .
H11C H 0.667401 0.325692 0.246614 0.072 Uiso 1 1 calc R U . . .
C29 C 0.1282(10) 0.5616(3) 0.7440(11) 0.050(3) Uani 1 1 d . . . . .
H29 H 0.072097 0.586391 0.744251 0.060 Uiso 1 1 calc R U . . .
C4 C 0.0266(8) 0.2930(4) 0.8056(10) 0.056(3) Uani 1 1 d . . . . .
H4A H -0.038322 0.287400 0.728153 0.085 Uiso 1 1 calc R U . . .
H4B H 0.005129 0.321088 0.840936 0.085 Uiso 1 1 calc R U . . .
H4C H 0.028028 0.267206 0.859422 0.085 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 C14 1.997(8) . ?
Pt1 N1 2.028(6) . ?
Pt1 N6 2.043(7) . ?
Pt1 N5 2.098(6) . ?
Pt1 Pt2 2.9484(5) . ?
Pt2 C1 1.987(8) . ?
Pt2 N4 2.030(6) . ?
Pt2 N3 2.043(6) . ?
Pt2 N2 2.098(6) . ?
S2 C12 1.726(9) . ?
S2 C15 1.742(8) . ?
S1 C5 1.725(8) . ?
S1 C3 1.729(9) . ?
N1 C32 1.363(10) . ?
N1 C36 1.373(10) . ?
N2 C36 1.343(10) . ?
N2 C42 1.393(10) . ?
N5 C25 1.352(10) . ?
N5 C26 1.385(10) . ?
N3 C10 1.339(9) . ?
N3 C6 1.378(9) . ?
N6 C20 1.335(9) . ?
N6 C16 1.364(10) . ?
N4 C21 1.347(10) . ?
N4 C25 1.360(10) . ?
C1 C5 1.369(10) . ?
C1 C2 1.430(10) . ?
C37 C38 1.399(11) . ?
C37 C42 1.415(11) . ?
C37 C35 1.443(12) . ?
C15 C14 1.380(11) . ?
C15 C16 1.424(10) . ?
C21 C22 1.386(12) . ?
C21 H21 0.9500 . ?
C17 C18 1.341(11) . ?
C17 C16 1.400(11) . ?
C17 H17 0.9500 . ?
C20 C19 1.368(11) . ?
C20 H20 0.9500 . ?
C35 C34 1.381(12) . ?
C35 C36 1.426(10) . ?
C25 C24 1.435(10) . ?
C14 C13 1.430(10) . ?
C22 C23 1.395(13) . ?
C22 H22 0.9500 . ?
C41 C42 1.387(11) . ?
C41 C40 1.388(11) . ?
C41 H41 0.9500 . ?
C7 C8 1.385(11) . ?
C7 C6 1.386(11) . ?
C7 H7 0.9500 . ?
C27 C28 1.406(11) . ?
C27 C26 1.412(11) . ?
C27 C24 1.433(12) . ?
C24 C23 1.366(11) . ?
C2 C3 1.374(11) . ?
C2 H2 0.9500 . ?
C5 C6 1.437(10) . ?
C28 C29 1.349(14) . ?
C28 H28 0.9500 . ?
C9 C10 1.370(11) . ?
C9 C8 1.381(12) . ?
C9 H9 0.9500 . ?
C8 H8 0.9500 . ?
C12 C13 1.374(11) . ?
C12 C11 1.500(11) . ?
C40 C39 1.405(13) . ?
C40 H40 0.9500 . ?
C32 C33 1.379(12) . ?
C32 H32 0.9500 . ?
C13 H13 0.9500 . ?
C23 H23 0.9500 . ?
C38 C39 1.353(13) . ?
C38 H38 0.9500 . ?
C18 C19 1.374(12) . ?
C18 H18 0.9500 . ?
C39 H39 0.9500 . ?
C10 H10 0.9500 . ?
C3 C4 1.495(11) . ?
C26 C31 1.396(12) . ?
C19 H19 0.9500 . ?
C31 C30 1.375(12) . ?
C31 H31 0.9500 . ?
C33 C34 1.395(13) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C30 C29 1.407(14) . ?
C30 H30 0.9500 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C29 H29 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 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
C14 Pt1 N1 93.1(3) . . ?
C14 Pt1 N6 81.2(3) . . ?
N1 Pt1 N6 174.2(3) . . ?
C14 Pt1 N5 175.1(3) . . ?
N1 Pt1 N5 91.7(2) . . ?
N6 Pt1 N5 94.0(3) . . ?
C14 Pt1 Pt2 101.8(2) . . ?
N1 Pt1 Pt2 85.59(18) . . ?
N6 Pt1 Pt2 94.41(18) . . ?
N5 Pt1 Pt2 77.59(18) . . ?
C1 Pt2 N4 92.7(3) . . ?
C1 Pt2 N3 81.4(3) . . ?
N4 Pt2 N3 173.9(3) . . ?
C1 Pt2 N2 176.0(3) . . ?
N4 Pt2 N2 90.8(3) . . ?
N3 Pt2 N2 95.1(2) . . ?
C1 Pt2 Pt1 99.7(2) . . ?
N4 Pt2 Pt1 86.5(2) . . ?
N3 Pt2 Pt1 92.96(18) . . ?
N2 Pt2 Pt1 78.60(17) . . ?
C12 S2 C15 90.9(4) . . ?
C5 S1 C3 91.0(4) . . ?
C32 N1 C36 116.6(7) . . ?
C32 N1 Pt1 121.9(6) . . ?
C36 N1 Pt1 121.2(5) . . ?
C36 N2 C42 105.7(6) . . ?
C36 N2 Pt2 127.4(5) . . ?
C42 N2 Pt2 126.6(5) . . ?
C25 N5 C26 106.0(7) . . ?
C25 N5 Pt1 127.8(5) . . ?
C26 N5 Pt1 126.2(5) . . ?
C10 N3 C6 119.7(7) . . ?
C10 N3 Pt2 125.8(6) . . ?
C6 N3 Pt2 114.3(5) . . ?
C20 N6 C16 119.0(7) . . ?
C20 N6 Pt1 126.0(6) . . ?
C16 N6 Pt1 114.7(5) . . ?
C21 N4 C25 116.8(7) . . ?
C21 N4 Pt2 122.8(6) . . ?
C25 N4 Pt2 119.6(5) . . ?
C5 C1 C2 111.0(7) . . ?
C5 C1 Pt2 112.4(6) . . ?
C2 C1 Pt2 136.4(6) . . ?
C38 C37 C42 120.0(8) . . ?
C38 C37 C35 134.3(8) . . ?
C42 C37 C35 105.5(7) . . ?
C14 C15 C16 119.5(7) . . ?
C14 C15 S2 112.2(6) . . ?
C16 C15 S2 128.0(6) . . ?
N4 C21 C22 123.8(9) . . ?
N4 C21 H21 118.1 . . ?
C22 C21 H21 118.1 . . ?
C18 C17 C16 121.2(8) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
N6 C20 C19 122.7(8) . . ?
N6 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
N6 C16 C17 119.0(7) . . ?
N6 C16 C15 112.6(7) . . ?
C17 C16 C15 128.4(7) . . ?
C34 C35 C36 119.2(8) . . ?
C34 C35 C37 136.2(8) . . ?
C36 C35 C37 104.6(7) . . ?
N5 C25 N4 125.6(7) . . ?
N5 C25 C24 112.4(7) . . ?
N4 C25 C24 121.9(7) . . ?
C15 C14 C13 111.6(7) . . ?
C15 C14 Pt1 111.9(5) . . ?
C13 C14 Pt1 136.2(6) . . ?
C21 C22 C23 119.6(8) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C42 C41 C40 117.3(8) . . ?
C42 C41 H41 121.3 . . ?
C40 C41 H41 121.3 . . ?
C8 C7 C6 119.3(7) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C28 C27 C26 118.6(9) . . ?
C28 C27 C24 134.8(9) . . ?
C26 C27 C24 106.6(7) . . ?
C23 C24 C27 136.4(8) . . ?
C23 C24 C25 119.5(8) . . ?
C27 C24 C25 104.1(7) . . ?
C3 C2 C1 113.2(8) . . ?
C3 C2 H2 123.4 . . ?
C1 C2 H2 123.4 . . ?
C1 C5 C6 119.4(7) . . ?
C1 C5 S1 113.2(6) . . ?
C6 C5 S1 127.4(6) . . ?
N2 C36 N1 124.9(7) . . ?
N2 C36 C35 112.9(7) . . ?
N1 C36 C35 122.2(7) . . ?
N3 C6 C7 120.0(7) . . ?
N3 C6 C5 112.0(7) . . ?
C7 C6 C5 128.0(7) . . ?
C41 C42 N2 127.6(7) . . ?
C41 C42 C37 121.0(7) . . ?
N2 C42 C37 111.3(7) . . ?
C29 C28 C27 119.9(9) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C10 C9 C8 118.8(8) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C9 C8 C7 120.0(8) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C13 C12 C11 127.7(8) . . ?
C13 C12 S2 112.3(6) . . ?
C11 C12 S2 119.8(7) . . ?
C41 C40 C39 121.7(9) . . ?
C41 C40 H40 119.2 . . ?
C39 C40 H40 119.2 . . ?
N1 C32 C33 123.4(8) . . ?
N1 C32 H32 118.3 . . ?
C33 C32 H32 118.3 . . ?
C12 C13 C14 112.8(7) . . ?
C12 C13 H13 123.6 . . ?
C14 C13 H13 123.6 . . ?
C24 C23 C22 118.3(8) . . ?
C24 C23 H23 120.9 . . ?
C22 C23 H23 120.9 . . ?
C39 C38 C37 119.0(8) . . ?
C39 C38 H38 120.5 . . ?
C37 C38 H38 120.5 . . ?
C17 C18 C19 119.1(8) . . ?
C17 C18 H18 120.5 . . ?
C19 C18 H18 120.5 . . ?
C38 C39 C40 120.9(8) . . ?
C38 C39 H39 119.6 . . ?
C40 C39 H39 119.6 . . ?
N3 C10 C9 122.2(8) . . ?
N3 C10 H10 118.9 . . ?
C9 C10 H10 118.9 . . ?
C2 C3 C4 128.4(8) . . ?
C2 C3 S1 111.5(6) . . ?
C4 C3 S1 120.1(7) . . ?
N5 C26 C31 127.7(8) . . ?
N5 C26 C27 110.9(8) . . ?
C31 C26 C27 121.4(8) . . ?
C20 C19 C18 119.1(8) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C30 C31 C26 117.8(9) . . ?
C30 C31 H31 121.1 . . ?
C26 C31 H31 121.1 . . ?
C32 C33 C34 120.1(8) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C35 C34 C33 118.4(8) . . ?
C35 C34 H34 120.8 . . ?
C33 C34 H34 120.8 . . ?
C31 C30 C29 121.2(10) . . ?
C31 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C28 C29 C30 120.9(9) . . ?
C28 C29 H29 119.5 . . ?
C30 C29 H29 119.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?

_refine_diff_density_max         1.054
_refine_diff_density_min         -1.635
_refine_diff_density_rms         0.231

####################################################################### 
# 
# 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_mo_220721_dfpm_czl_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 2209085'
loop_
_audit_author_name
_audit_author_address
'Wen '
;Shenzhen university
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;
_audit_creation_date             2022-07-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H24 F4 N8 Pt2'
_chemical_formula_sum            'C42 H24 F4 N8 Pt2'
_chemical_formula_weight         1106.87
_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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   10.4675(4)
_cell_length_b                   14.3845(6)
_cell_length_c                   15.9689(7)
_cell_angle_alpha                66.550(2)
_cell_angle_beta                 77.958(2)
_cell_angle_gamma                69.9680(10)
_cell_volume                     2065.09(15)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9842
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      27.14
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.549
_shelx_estimated_absorpt_T_min   0.149
_exptl_absorpt_coefficient_mu    6.824
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4172
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1504 before and 0.0723 after correction.
The Ratio of minimum to maximum transmission is 0.5596.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            49288
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.166
_diffrn_reflns_theta_min         2.479
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8052
_reflns_number_total             9149
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.298
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9149
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0308
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0579P)²+1.6691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0912
_refine_ls_wR_factor_ref         0.0943
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C29(H29),
  C30(H30), C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C39(H39), C41(H41)
;
_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 0.41275(2) 0.23417(2) 0.34647(2) 0.03068(7) Uani 1 1 d . . . . .
Pt2 Pt 0.43649(2) 0.43830(2) 0.33474(2) 0.02938(7) Uani 1 1 d . . . . .
F1 F 0.6328(4) 0.0166(3) 0.6580(3) 0.0712(11) Uani 1 1 d . . . . .
F2 F 0.9320(3) -0.0115(3) 0.4015(3) 0.0739(11) Uani 1 1 d . . . . .
F3 F 0.4844(4) 0.3179(3) 0.6839(2) 0.0617(9) Uani 1 1 d . . . . .
F4 F 0.0499(3) 0.5312(3) 0.5938(2) 0.0531(8) Uani 1 1 d . . . . .
N1 N 0.3241(4) 0.2071(3) 0.4747(3) 0.0336(8) Uani 1 1 d . . . . .
N2 N 0.3651(6) 0.1266(4) 0.6328(3) 0.0529(12) Uani 1 1 d . . . . .
N3 N 0.5147(4) 0.2583(3) 0.2215(3) 0.0363(9) Uani 1 1 d . . . . .
N4 N 0.5309(4) 0.4257(3) 0.2086(3) 0.0359(9) Uani 1 1 d . . . . .
N5 N 0.2389(4) 0.3453(3) 0.2813(3) 0.0352(9) Uani 1 1 d . . . . .
N6 N 0.2586(4) 0.5091(3) 0.2747(3) 0.0357(9) Uani 1 1 d . . . . .
N7 N 0.6062(4) 0.3640(3) 0.4023(3) 0.0307(8) Uani 1 1 d . . . . .
N8 N 0.6864(4) 0.2800(3) 0.5506(3) 0.0393(9) Uani 1 1 d . . . . .
C1 C 0.2331(7) 0.1731(5) 0.6530(4) 0.0566(15) Uani 1 1 d . . . . .
H1 H 0.201247 0.162251 0.715416 0.068 Uiso 1 1 calc R . . . .
C2 C 0.1426(7) 0.2354(5) 0.5873(4) 0.0517(14) Uani 1 1 d . . . . .
H2 H 0.049390 0.266077 0.603447 0.062 Uiso 1 1 calc R . . . .
C3 C 0.1916(5) 0.2517(4) 0.4981(4) 0.0403(11) Uani 1 1 d . . . . .
H3 H 0.131531 0.295312 0.451230 0.048 Uiso 1 1 calc R . . . .
C4 C 0.4074(5) 0.1459(4) 0.5429(3) 0.0364(10) Uani 1 1 d . . . . .
C5 C 0.5474(5) 0.1026(4) 0.5107(4) 0.0399(11) Uani 1 1 d . . . . .
C6 C 0.6550(6) 0.0384(4) 0.5656(4) 0.0480(14) Uani 1 1 d . . . . .
C7 C 0.7846(6) 0.0005(4) 0.5293(5) 0.0590(18) Uani 1 1 d . . . . .
H7 H 0.857568 -0.041833 0.567303 0.071 Uiso 1 1 calc R . . . .
C8 C 0.8042(5) 0.0260(4) 0.4368(5) 0.0524(15) Uani 1 1 d . . . . .
C9 C 0.7037(5) 0.0906(4) 0.3772(4) 0.0444(12) Uani 1 1 d . . . . .
H9 H 0.723629 0.107193 0.313026 0.053 Uiso 1 1 calc R . . . .
C10 C 0.5729(5) 0.1308(4) 0.4134(4) 0.0373(11) Uani 1 1 d . . . . .
C11 C 0.5477(5) 0.1886(5) 0.1778(4) 0.0477(13) Uani 1 1 d . . . . .
H11 H 0.523497 0.124535 0.208710 0.057 Uiso 1 1 calc R . . . .
C12 C 0.6144(6) 0.2044(6) 0.0911(5) 0.0592(17) Uani 1 1 d . . . . .
H12 H 0.635166 0.152172 0.064198 0.071 Uiso 1 1 calc R . . . .
C13 C 0.6505(6) 0.2964(5) 0.0442(4) 0.0534(15) Uani 1 1 d . . . . .
H13 H 0.695864 0.308774 -0.015595 0.064 Uiso 1 1 calc R . . . .
C14 C 0.6200(5) 0.3701(4) 0.0852(3) 0.0391(11) Uani 1 1 d . . . . .
C15 C 0.5518(4) 0.3475(4) 0.1761(3) 0.0355(10) Uani 1 1 d . . . . .
C16 C 0.5833(4) 0.5028(4) 0.1385(3) 0.0360(10) Uani 1 1 d . . . . .
C17 C 0.6388(5) 0.4719(5) 0.0616(3) 0.0422(12) Uani 1 1 d . . . . .
C18 C 0.7003(5) 0.5376(5) -0.0135(3) 0.0503(14) Uani 1 1 d . . . . .
H18 H 0.738700 0.517639 -0.065394 0.060 Uiso 1 1 calc R . . . .
C19 C 0.7054(6) 0.6313(5) -0.0126(4) 0.0526(14) Uani 1 1 d . . . . .
H19 H 0.748037 0.675859 -0.063689 0.063 Uiso 1 1 calc R . . . .
C20 C 0.6480(6) 0.6612(5) 0.0634(4) 0.0517(14) Uani 1 1 d . . . . .
H20 H 0.651012 0.726864 0.062480 0.062 Uiso 1 1 calc R . . . .
C21 C 0.5868(5) 0.5982(5) 0.1400(4) 0.0454(12) Uani 1 1 d . . . . .
H21 H 0.548711 0.619017 0.191473 0.054 Uiso 1 1 calc R . . . .
C22 C 0.2014(5) 0.6163(4) 0.2451(4) 0.0435(12) Uani 1 1 d . . . . .
H22 H 0.242859 0.657775 0.258184 0.052 Uiso 1 1 calc R . . . .
C23 C 0.0876(6) 0.6668(4) 0.1976(4) 0.0508(14) Uani 1 1 d . . . . .
H23 H 0.051977 0.741650 0.178804 0.061 Uiso 1 1 calc R . . . .
C24 C 0.0240(5) 0.6097(4) 0.1766(3) 0.0459(13) Uani 1 1 d . . . . .
H24 H -0.054347 0.644438 0.142879 0.055 Uiso 1 1 calc R . . . .
C25 C 0.0779(4) 0.5002(4) 0.2064(3) 0.0355(10) Uani 1 1 d . . . . .
C26 C 0.1965(5) 0.4521(4) 0.2567(3) 0.0349(10) Uani 1 1 d . . . . .
C27 C 0.1495(4) 0.3207(4) 0.2451(3) 0.0339(10) Uani 1 1 d . . . . .
C28 C 0.0474(5) 0.4132(4) 0.1997(3) 0.0392(11) Uani 1 1 d . . . . .
C29 C -0.0493(5) 0.4043(5) 0.1557(3) 0.0462(13) Uani 1 1 d . . . . .
H29 H -0.115985 0.465570 0.122902 0.055 Uiso 1 1 calc R . . . .
C30 C -0.0458(5) 0.3066(5) 0.1608(4) 0.0500(13) Uani 1 1 d . . . . .
H30 H -0.112540 0.299994 0.133079 0.060 Uiso 1 1 calc R . . . .
C31 C 0.0545(6) 0.2158(5) 0.2064(4) 0.0522(14) Uani 1 1 d . . . . .
H31 H 0.055550 0.148701 0.208258 0.063 Uiso 1 1 calc R . . . .
C32 C 0.1526(5) 0.2223(4) 0.2488(4) 0.0420(11) Uani 1 1 d . . . . .
H32 H 0.220341 0.160462 0.279754 0.050 Uiso 1 1 calc R . . . .
C33 C 0.8122(6) 0.2449(4) 0.5102(4) 0.0470(13) Uani 1 1 d . . . . .
H33 H 0.884604 0.201166 0.548285 0.056 Uiso 1 1 calc R . . . .
C34 C 0.8398(5) 0.2694(4) 0.4177(4) 0.0461(13) Uani 1 1 d . . . . .
H34 H 0.929336 0.245476 0.391462 0.055 Uiso 1 1 calc R . . . .
C35 C 0.7320(5) 0.3302(4) 0.3639(4) 0.0395(11) Uani 1 1 d . . . . .
H35 H 0.746834 0.348331 0.299368 0.047 Uiso 1 1 calc R . . . .
C36 C 0.5879(5) 0.3396(3) 0.4947(3) 0.0302(9) Uani 1 1 d . . . . .
C37 C 0.4484(5) 0.3845(3) 0.5271(3) 0.0300(9) Uani 1 1 d . . . . .
C38 C 0.3996(5) 0.3762(4) 0.6172(3) 0.0384(11) Uani 1 1 d . . . . .
C39 C 0.2680(6) 0.4245(4) 0.6417(4) 0.0420(12) Uani 1 1 d . . . . .
H39 H 0.237178 0.418792 0.703429 0.050 Uiso 1 1 calc R . . . .
C40 C 0.1823(5) 0.4819(4) 0.5719(4) 0.0394(11) Uani 1 1 d . . . . .
C41 C 0.2203(5) 0.4922(4) 0.4825(3) 0.0348(10) Uani 1 1 d . . . . .
H41 H 0.155977 0.531377 0.437732 0.042 Uiso 1 1 calc R . . . .
C42 C 0.3571(4) 0.4436(3) 0.4574(3) 0.0282(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Pt2 2.9600(3) . ?
Pt1 N1 2.006(4) . ?
Pt1 N3 2.014(4) . ?
Pt1 N5 2.103(4) . ?
Pt1 C10 1.985(5) . ?
Pt2 N4 2.098(4) . ?
Pt2 N6 2.023(4) . ?
Pt2 N7 2.011(4) . ?
Pt2 C42 1.983(4) . ?
F1 C6 1.366(7) . ?
F2 C8 1.353(7) . ?
F3 C38 1.341(6) . ?
F4 C40 1.366(5) . ?
N1 C3 1.357(6) . ?
N1 C4 1.352(6) . ?
N2 C1 1.346(8) . ?
N2 C4 1.355(7) . ?
N3 C11 1.353(6) . ?
N3 C15 1.343(7) . ?
N4 C15 1.354(6) . ?
N4 C16 1.399(6) . ?
N5 C26 1.355(6) . ?
N5 C27 1.396(6) . ?
N6 C22 1.365(6) . ?
N6 C26 1.344(7) . ?
N7 C35 1.344(6) . ?
N7 C36 1.362(6) . ?
N8 C33 1.362(7) . ?
N8 C36 1.328(6) . ?
C1 H1 0.9500 . ?
C1 C2 1.373(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.364(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.454(7) . ?
C5 C6 1.394(7) . ?
C5 C10 1.433(7) . ?
C6 C7 1.375(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.362(9) . ?
C8 C9 1.385(8) . ?
C9 H9 0.9500 . ?
C9 C10 1.390(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.382(9) . ?
C12 H12 0.9500 . ?
C12 C13 1.375(9) . ?
C13 H13 0.9500 . ?
C13 C14 1.374(7) . ?
C14 C15 1.441(6) . ?
C14 C17 1.432(8) . ?
C16 C17 1.416(7) . ?
C16 C21 1.394(8) . ?
C17 C18 1.393(8) . ?
C18 H18 0.9500 . ?
C18 C19 1.373(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.398(8) . ?
C20 H20 0.9500 . ?
C20 C21 1.385(8) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C22 C23 1.367(8) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(9) . ?
C24 H24 0.9500 . ?
C24 C25 1.391(7) . ?
C25 C26 1.433(6) . ?
C25 C28 1.440(8) . ?
C27 C28 1.421(7) . ?
C27 C32 1.382(7) . ?
C28 C29 1.411(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.362(8) . ?
C30 H30 0.9500 . ?
C30 C31 1.400(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.389(8) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.366(8) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(8) . ?
C35 H35 0.9500 . ?
C36 C37 1.457(6) . ?
C37 C38 1.394(6) . ?
C37 C42 1.417(6) . ?
C38 C39 1.368(7) . ?
C39 H39 0.9500 . ?
C39 C40 1.382(8) . ?
C40 C41 1.361(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.413(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Pt2 91.56(11) . . ?
N1 Pt1 N3 175.87(16) . . ?
N1 Pt1 N5 96.02(16) . . ?
N3 Pt1 Pt2 87.53(12) . . ?
N3 Pt1 N5 87.70(15) . . ?
N5 Pt1 Pt2 76.79(12) . . ?
C10 Pt1 Pt2 102.18(13) . . ?
C10 Pt1 N1 81.4(2) . . ?
C10 Pt1 N3 94.8(2) . . ?
C10 Pt1 N5 177.26(18) . . ?
N4 Pt2 Pt1 76.84(12) . . ?
N6 Pt2 Pt1 87.58(12) . . ?
N6 Pt2 N4 87.25(16) . . ?
N7 Pt2 Pt1 91.18(11) . . ?
N7 Pt2 N4 96.00(16) . . ?
N7 Pt2 N6 176.18(14) . . ?
C42 Pt2 Pt1 102.17(12) . . ?
C42 Pt2 N4 176.56(17) . . ?
C42 Pt2 N6 96.02(17) . . ?
C42 Pt2 N7 80.70(17) . . ?
C3 N1 Pt1 125.6(3) . . ?
C4 N1 Pt1 116.3(3) . . ?
C4 N1 C3 117.8(4) . . ?
C1 N2 C4 116.8(5) . . ?
C11 N3 Pt1 123.1(4) . . ?
C15 N3 Pt1 120.6(3) . . ?
C15 N3 C11 116.3(5) . . ?
C15 N4 Pt2 129.6(3) . . ?
C15 N4 C16 105.8(4) . . ?
C16 N4 Pt2 124.6(3) . . ?
C26 N5 Pt1 129.9(3) . . ?
C26 N5 C27 105.6(4) . . ?
C27 N5 Pt1 124.2(3) . . ?
C22 N6 Pt2 122.1(4) . . ?
C26 N6 Pt2 120.6(3) . . ?
C26 N6 C22 117.1(5) . . ?
C35 N7 Pt2 124.8(4) . . ?
C35 N7 C36 118.8(4) . . ?
C36 N7 Pt2 116.2(3) . . ?
C36 N8 C33 116.1(5) . . ?
N2 C1 H1 118.6 . . ?
N2 C1 C2 122.9(5) . . ?
C2 C1 H1 118.6 . . ?
C1 C2 H2 121.3 . . ?
C3 C2 C1 117.4(6) . . ?
C3 C2 H2 121.3 . . ?
N1 C3 C2 121.6(5) . . ?
N1 C3 H3 119.2 . . ?
C2 C3 H3 119.2 . . ?
N1 C4 N2 123.4(5) . . ?
N1 C4 C5 113.6(4) . . ?
N2 C4 C5 123.0(5) . . ?
C6 C5 C4 125.9(5) . . ?
C6 C5 C10 119.0(5) . . ?
C10 C5 C4 115.1(4) . . ?
F1 C6 C5 119.1(5) . . ?
F1 C6 C7 118.8(5) . . ?
C7 C6 C5 122.1(6) . . ?
C6 C7 H7 121.3 . . ?
C8 C7 C6 117.3(5) . . ?
C8 C7 H7 121.3 . . ?
F2 C8 C7 117.0(5) . . ?
F2 C8 C9 118.7(6) . . ?
C7 C8 C9 124.3(6) . . ?
C8 C9 H9 120.7 . . ?
C8 C9 C10 118.7(6) . . ?
C10 C9 H9 120.7 . . ?
C5 C10 Pt1 113.0(4) . . ?
C9 C10 Pt1 128.2(4) . . ?
C9 C10 C5 118.6(5) . . ?
N3 C11 H11 117.9 . . ?
N3 C11 C12 124.3(6) . . ?
C12 C11 H11 117.9 . . ?
C11 C12 H12 120.3 . . ?
C13 C12 C11 119.4(6) . . ?
C13 C12 H12 120.3 . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.0(5) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 C15 118.5(5) . . ?
C13 C14 C17 136.5(5) . . ?
C17 C14 C15 105.0(4) . . ?
N3 C15 N4 125.4(4) . . ?
N3 C15 C14 122.6(4) . . ?
N4 C15 C14 112.0(5) . . ?
N4 C16 C17 111.2(5) . . ?
C21 C16 N4 127.2(4) . . ?
C21 C16 C17 121.5(5) . . ?
C16 C17 C14 106.0(4) . . ?
C18 C17 C14 135.0(5) . . ?
C18 C17 C16 119.0(6) . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0(5) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 119.0 . . ?
C21 C20 C19 122.1(6) . . ?
C21 C20 H20 119.0 . . ?
C16 C21 H21 121.3 . . ?
C20 C21 C16 117.3(5) . . ?
C20 C21 H21 121.3 . . ?
N6 C22 H22 118.4 . . ?
N6 C22 C23 123.3(6) . . ?
C23 C22 H22 118.4 . . ?
C22 C23 H23 119.8 . . ?
C22 C23 C24 120.5(5) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 120.9 . . ?
C23 C24 C25 118.2(5) . . ?
C25 C24 H24 120.9 . . ?
C24 C25 C26 118.5(5) . . ?
C24 C25 C28 136.7(5) . . ?
C26 C25 C28 104.8(4) . . ?
N5 C26 C25 112.6(5) . . ?
N6 C26 N5 125.0(4) . . ?
N6 C26 C25 122.4(4) . . ?
N5 C27 C28 111.2(4) . . ?
C32 C27 N5 128.0(4) . . ?
C32 C27 C28 120.8(5) . . ?
C27 C28 C25 105.8(4) . . ?
C29 C28 C25 134.8(5) . . ?
C29 C28 C27 119.3(5) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 C28 119.1(5) . . ?
C30 C29 H29 120.4 . . ?
C29 C30 H30 119.4 . . ?
C29 C30 C31 121.1(5) . . ?
C31 C30 H30 119.4 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 121.0(6) . . ?
C32 C31 H31 119.5 . . ?
C27 C32 C31 118.6(5) . . ?
C27 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
N8 C33 H33 118.2 . . ?
N8 C33 C34 123.5(5) . . ?
C34 C33 H33 118.2 . . ?
C33 C34 H34 121.4 . . ?
C33 C34 C35 117.2(5) . . ?
C35 C34 H34 121.4 . . ?
N7 C35 C34 120.5(5) . . ?
N7 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
N7 C36 C37 113.4(4) . . ?
N8 C36 N7 123.8(4) . . ?
N8 C36 C37 122.8(4) . . ?
C38 C37 C36 126.6(4) . . ?
C38 C37 C42 118.8(4) . . ?
C42 C37 C36 114.6(4) . . ?
F3 C38 C37 119.2(4) . . ?
F3 C38 C39 117.6(4) . . ?
C39 C38 C37 123.2(5) . . ?
C38 C39 H39 121.8 . . ?
C38 C39 C40 116.3(4) . . ?
C40 C39 H39 121.8 . . ?
F4 C40 C39 118.0(4) . . ?
C41 C40 F4 117.5(5) . . ?
C41 C40 C39 124.5(5) . . ?
C40 C41 H41 120.6 . . ?
C40 C41 C42 118.9(5) . . ?
C42 C41 H41 120.6 . . ?
C37 C42 Pt2 114.3(3) . . ?
C41 C42 Pt2 127.2(4) . . ?
C41 C42 C37 118.3(4) . . ?

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 N1 C3 C2 -174.5(4) . . . . ?
Pt1 N1 C4 N2 175.1(4) . . . . ?
Pt1 N1 C4 C5 -4.9(5) . . . . ?
Pt1 N3 C11 C12 178.2(4) . . . . ?
Pt1 N3 C15 N4 2.5(7) . . . . ?
Pt1 N3 C15 C14 -177.5(3) . . . . ?
Pt1 N5 C26 N6 -3.7(7) . . . . ?
Pt1 N5 C26 C25 174.9(3) . . . . ?
Pt1 N5 C27 C28 -175.8(3) . . . . ?
Pt1 N5 C27 C32 3.7(7) . . . . ?
Pt2 N4 C15 N3 -0.5(7) . . . . ?
Pt2 N4 C15 C14 179.5(3) . . . . ?
Pt2 N4 C16 C17 -179.2(3) . . . . ?
Pt2 N4 C16 C21 2.2(7) . . . . ?
Pt2 N6 C22 C23 174.3(4) . . . . ?
Pt2 N6 C26 N5 4.7(6) . . . . ?
Pt2 N6 C26 C25 -173.8(3) . . . . ?
Pt2 N7 C35 C34 -172.6(4) . . . . ?
Pt2 N7 C36 N8 171.9(3) . . . . ?
Pt2 N7 C36 C37 -7.6(5) . . . . ?
F1 C6 C7 C8 -178.3(5) . . . . ?
F2 C8 C9 C10 -178.8(5) . . . . ?
F3 C38 C39 C40 -178.6(5) . . . . ?
F4 C40 C41 C42 179.0(4) . . . . ?
N1 C4 C5 C6 179.0(5) . . . . ?
N1 C4 C5 C10 -0.5(6) . . . . ?
N2 C1 C2 C3 -1.5(9) . . . . ?
N2 C4 C5 C6 -1.0(8) . . . . ?
N2 C4 C5 C10 179.5(4) . . . . ?
N3 C11 C12 C13 -0.3(9) . . . . ?
N4 C16 C17 C14 -0.1(5) . . . . ?
N4 C16 C17 C18 -177.6(4) . . . . ?
N4 C16 C21 C20 177.9(5) . . . . ?
N5 C27 C28 C25 1.5(5) . . . . ?
N5 C27 C28 C29 177.6(4) . . . . ?
N5 C27 C32 C31 -178.7(5) . . . . ?
N6 C22 C23 C24 -0.2(8) . . . . ?
N7 C36 C37 C38 -177.9(4) . . . . ?
N7 C36 C37 C42 1.0(5) . . . . ?
N8 C33 C34 C35 -2.1(8) . . . . ?
N8 C36 C37 C38 2.7(7) . . . . ?
N8 C36 C37 C42 -178.5(4) . . . . ?
C1 N2 C4 N1 -1.0(7) . . . . ?
C1 N2 C4 C5 179.0(5) . . . . ?
C1 C2 C3 N1 0.9(8) . . . . ?
C3 N1 C4 N2 0.5(7) . . . . ?
C3 N1 C4 C5 -179.5(4) . . . . ?
C4 N1 C3 C2 -0.4(7) . . . . ?
C4 N2 C1 C2 1.5(9) . . . . ?
C4 C5 C6 F1 -3.3(8) . . . . ?
C4 C5 C6 C7 179.8(5) . . . . ?
C4 C5 C10 Pt1 5.6(5) . . . . ?
C4 C5 C10 C9 -178.6(4) . . . . ?
C5 C6 C7 C8 -1.4(8) . . . . ?
C6 C5 C10 Pt1 -173.9(4) . . . . ?
C6 C5 C10 C9 1.8(7) . . . . ?
C6 C7 C8 F2 179.9(5) . . . . ?
C6 C7 C8 C9 2.6(9) . . . . ?
C7 C8 C9 C10 -1.5(8) . . . . ?
C8 C9 C10 Pt1 174.3(4) . . . . ?
C8 C9 C10 C5 -0.8(7) . . . . ?
C10 C5 C6 F1 176.2(4) . . . . ?
C10 C5 C6 C7 -0.7(8) . . . . ?
C11 N3 C15 N4 -178.5(4) . . . . ?
C11 N3 C15 C14 1.4(7) . . . . ?
C11 C12 C13 C14 0.5(9) . . . . ?
C12 C13 C14 C15 0.3(8) . . . . ?
C12 C13 C14 C17 179.9(5) . . . . ?
C13 C14 C15 N3 -1.3(7) . . . . ?
C13 C14 C15 N4 178.7(4) . . . . ?
C13 C14 C17 C16 -179.0(6) . . . . ?
C13 C14 C17 C18 -2.1(11) . . . . ?
C14 C17 C18 C19 -177.2(5) . . . . ?
C15 N3 C11 C12 -0.7(8) . . . . ?
C15 N4 C16 C17 -0.6(5) . . . . ?
C15 N4 C16 C21 -179.2(5) . . . . ?
C15 C14 C17 C16 0.6(5) . . . . ?
C15 C14 C17 C18 177.6(6) . . . . ?
C16 N4 C15 N3 -179.0(4) . . . . ?
C16 N4 C15 C14 1.0(5) . . . . ?
C16 C17 C18 C19 -0.6(8) . . . . ?
C17 C14 C15 N3 179.0(4) . . . . ?
C17 C14 C15 N4 -1.1(5) . . . . ?
C17 C16 C21 C20 -0.6(7) . . . . ?
C17 C18 C19 C20 -0.5(8) . . . . ?
C18 C19 C20 C21 1.1(9) . . . . ?
C19 C20 C21 C16 -0.5(8) . . . . ?
C21 C16 C17 C14 178.6(4) . . . . ?
C21 C16 C17 C18 1.1(7) . . . . ?
C22 N6 C26 N5 -179.7(4) . . . . ?
C22 N6 C26 C25 1.8(7) . . . . ?
C22 C23 C24 C25 0.9(8) . . . . ?
C23 C24 C25 C26 -0.3(7) . . . . ?
C23 C24 C25 C28 -179.1(5) . . . . ?
C24 C25 C26 N5 -179.8(4) . . . . ?
C24 C25 C26 N6 -1.1(7) . . . . ?
C24 C25 C28 C27 178.4(5) . . . . ?
C24 C25 C28 C29 3.1(10) . . . . ?
C25 C28 C29 C30 177.3(5) . . . . ?
C26 N5 C27 C28 -1.8(5) . . . . ?
C26 N5 C27 C32 177.6(5) . . . . ?
C26 N6 C22 C23 -1.1(7) . . . . ?
C26 C25 C28 C27 -0.5(5) . . . . ?
C26 C25 C28 C29 -175.8(5) . . . . ?
C27 N5 C26 N6 -177.1(4) . . . . ?
C27 N5 C26 C25 1.5(5) . . . . ?
C27 C28 C29 C30 2.5(7) . . . . ?
C28 C25 C26 N5 -0.6(5) . . . . ?
C28 C25 C26 N6 178.1(4) . . . . ?
C28 C27 C32 C31 0.6(7) . . . . ?
C28 C29 C30 C31 -2.1(8) . . . . ?
C29 C30 C31 C32 0.9(9) . . . . ?
C30 C31 C32 C27 -0.1(8) . . . . ?
C32 C27 C28 C25 -178.0(4) . . . . ?
C32 C27 C28 C29 -1.8(7) . . . . ?
C33 N8 C36 N7 1.5(7) . . . . ?
C33 N8 C36 C37 -179.0(4) . . . . ?
C33 C34 C35 N7 0.6(8) . . . . ?
C35 N7 C36 N8 -3.0(7) . . . . ?
C35 N7 C36 C37 177.5(4) . . . . ?
C36 N7 C35 C34 1.8(7) . . . . ?
C36 N8 C33 C34 1.0(8) . . . . ?
C36 C37 C38 F3 -3.1(7) . . . . ?
C36 C37 C38 C39 177.2(5) . . . . ?
C36 C37 C42 Pt2 6.0(5) . . . . ?
C36 C37 C42 C41 -178.5(4) . . . . ?
C37 C38 C39 C40 1.2(8) . . . . ?
C38 C37 C42 Pt2 -175.0(3) . . . . ?
C38 C37 C42 C41 0.5(6) . . . . ?
C38 C39 C40 F4 179.9(4) . . . . ?
C38 C39 C40 C41 0.5(8) . . . . ?
C39 C40 C41 C42 -1.6(8) . . . . ?
C40 C41 C42 Pt2 175.8(4) . . . . ?
C40 C41 C42 C37 1.0(7) . . . . ?
C42 C37 C38 F3 178.1(4) . . . . ?
C42 C37 C38 C39 -1.6(7) . . . . ?

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

data_dpt2_0m
_database_code_depnum_ccdc_archive 'CCDC 2209086'
loop_
_audit_author_name
_audit_author_address
'Wen '
;Shenzhen university
China
;
_audit_update_record             
;
2022-09-23 deposited with the CCDC.	2023-01-31 downloaded from the CCDC.
;
_audit_creation_date             2021-12-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C52 H34 N6 Pt2)'
_chemical_formula_sum            'C26 H17 N3 Pt'
_chemical_formula_weight         566.52
_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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.9473(9)
_cell_length_b                   12.5507(10)
_cell_length_c                   14.2057(11)
_cell_angle_alpha                99.063(3)
_cell_angle_beta                 112.730(2)
_cell_angle_gamma                92.144(3)
_cell_volume                     1928.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6708
_cell_measurement_temperature    150
_cell_measurement_theta_max      26.355
_cell_measurement_theta_min      2.350
_shelx_estimated_absorpt_T_max   0.759
_shelx_estimated_absorpt_T_min   0.408
_exptl_absorpt_coefficient_mu    7.293
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0924 before and 0.0591 after correction. The Ratio of minimum to maximum transmission is 0.7354. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21589
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.614
_diffrn_reflns_theta_min         1.903
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5399
_reflns_number_total             7918
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.794
_refine_diff_density_min         -1.675
_refine_diff_density_rms         0.209
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7918
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0491
_refine_ls_restrained_S_all      1.028
_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)+(0.0206P)²+16.0826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.1032
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C29) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
3.a Aromatic/amide H refined with riding coordinates:
 C17(H17), C00F(H00F), C34(H34), C00M(H00M), C33(H33), C20(H20), C14(H14),
 C18(H18), C9(H9), C25(H25), C15(H15), C42(H42), C19(H19), C011(H011), C41(H41),
  C32(H32), C014(H014), C015(H015), C40(H40), C5(H5), C2(H2), C26(H26),
 C36(H36), C4(H4), C12(H12), C01F(H01F), C10(H10), C01H(H01H), C3(H3), C27(H27),
  C11(H11), C30(H30), C28(H28), C29(H29)
;
_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
Pt2 Pt 0.57199(3) 0.60993(3) 0.36845(3) 0.02833(11) Uani 1 1 d . . . . .
Pt1 Pt 0.75999(3) 0.76604(3) 0.36200(3) 0.02946(11) Uani 1 1 d . . . . .
N6 N 0.6773(7) 0.6294(6) 0.5215(6) 0.0289(18) Uani 1 1 d . . . . .
N4 N 0.4565(8) 0.6072(6) 0.2218(6) 0.035(2) Uani 1 1 d . . . . .
C6 C 0.6519(9) 0.8124(7) 0.1544(8) 0.032(2) Uani 1 1 d . . . . .
N3 N 0.8719(7) 0.6468(6) 0.3893(6) 0.0298(18) Uani 1 1 d . . . . .
N5 N 0.6976(7) 0.5129(6) 0.3326(6) 0.0342(19) Uani 1 1 d . . . . .
N2 N 0.7890(7) 0.7921(6) 0.5201(6) 0.0325(19) Uani 1 1 d . . . . .
C009 C 0.8160(8) 0.7499(8) 0.6803(7) 0.030(2) Uani 1 1 d . . . . .
N1 N 0.6343(7) 0.8713(6) 0.3152(6) 0.034(2) Uani 1 1 d . . . . .
C17 C 0.4435(10) 0.7372(8) 0.4910(8) 0.037(2) Uani 1 1 d . . . . .
H17 H 0.508865 0.728562 0.552969 0.044 Uiso 1 1 calc R . . . .
C7 C 0.5816(8) 0.8655(7) 0.2106(8) 0.031(2) Uani 1 1 d . . . . .
C21 C 0.3431(9) 0.7034(8) 0.3059(8) 0.033(2) Uani 1 1 d . . . . .
C00E C 0.8714(9) 0.8703(8) 0.5988(8) 0.032(2) Uani 1 1 d . . . . .
C00F C 0.7181(8) 0.5882(8) 0.6914(7) 0.035(2) Uani 1 1 d . . . . .
H00F H 0.703720 0.539073 0.730998 0.042 Uiso 1 1 calc R . . . .
C00G C 0.8910(8) 0.8498(8) 0.6975(8) 0.032(2) Uani 1 1 d . . . . .
C16 C 0.4439(8) 0.6904(7) 0.3969(8) 0.031(2) Uani 1 1 d . . . . .
C8 C 0.4665(10) 0.9068(8) 0.1657(9) 0.039(3) Uani 1 1 d . . . . .
C00J C 0.7583(8) 0.7193(8) 0.5701(8) 0.031(2) Uani 1 1 d . . . . .
C1 C 0.7395(9) 0.7478(8) 0.2153(8) 0.036(2) Uani 1 1 d . . . . .
C34 C 0.6917(10) 0.1793(8) 0.2480(9) 0.043(3) Uani 1 1 d . . . . .
H34 H 0.692153 0.103555 0.227744 0.052 Uiso 1 1 calc R . . . .
C00M C 0.7935(9) 0.6844(8) 0.7404(8) 0.035(2) Uani 1 1 d . . . . .
H00M H 0.828521 0.704209 0.814057 0.042 Uiso 1 1 calc R . . . .
C33 C 0.5823(10) 0.2214(8) 0.2356(8) 0.042(3) Uani 1 1 d . . . . .
H33 H 0.508875 0.173554 0.206409 0.050 Uiso 1 1 calc R . . . .
C20 C 0.2553(10) 0.7695(9) 0.3138(10) 0.050(3) Uani 1 1 d . . . . .
H20 H 0.192066 0.783136 0.252717 0.060 Uiso 1 1 calc R . . . .
C14 C 0.4821(10) 0.9735(8) 0.3408(9) 0.040(3) Uani 1 1 d . . . . .
H14 H 0.453357 1.015083 0.387072 0.048 Uiso 1 1 calc R . . . .
C18 C 0.3505(10) 0.7965(8) 0.4981(9) 0.044(3) Uani 1 1 d . . . . .
H18 H 0.350018 0.824095 0.564220 0.053 Uiso 1 1 calc R . . . .
C24 C 0.2917(10) 0.6091(8) 0.0213(8) 0.039(3) Uani 1 1 d . . . . .
C39 C 0.8181(8) 0.5434(7) 0.3605(7) 0.028(2) Uani 1 1 d . . . . .
C9 C 0.3925(10) 0.8860(9) 0.0588(8) 0.043(3) Uani 1 1 d . . . . .
H9 H 0.420266 0.844089 0.011905 0.052 Uiso 1 1 calc R . . . .
C37 C 0.7962(8) 0.3586(8) 0.3171(8) 0.032(2) Uani 1 1 d . . . . .
C25 C 0.4091(11) 0.5816(9) 0.0416(8) 0.050(3) Uani 1 1 d . . . . .
H25 H 0.436601 0.567356 -0.013195 0.060 Uiso 1 1 calc R . . . .
C15 C 0.5863(9) 0.9240(7) 0.3798(8) 0.035(2) Uani 1 1 d . . . . .
H15 H 0.625386 0.926386 0.452503 0.041 Uiso 1 1 calc R . . . .
C42 C 1.0100(9) 0.4717(8) 0.3793(8) 0.036(2) Uani 1 1 d . . . . .
H42 H 1.058156 0.413809 0.375810 0.043 Uiso 1 1 calc R . . . .
C38 C 0.8862(9) 0.4517(8) 0.3534(7) 0.034(2) Uani 1 1 d . . . . .
C19 C 0.2596(10) 0.8152(9) 0.4099(10) 0.049(3) Uani 1 1 d . . . . .
H19 H 0.199024 0.860025 0.414894 0.059 Uiso 1 1 calc R . . . .
C22 C 0.3494(9) 0.6501(8) 0.2090(8) 0.035(2) Uani 1 1 d . . . . .
C011 C 1.0169(10) 1.0254(8) 0.6753(9) 0.045(3) Uani 1 1 d . . . . .
H011 H 1.062356 1.084947 0.667936 0.054 Uiso 1 1 calc R . . . .
C41 C 1.0618(10) 0.5785(8) 0.4105(8) 0.042(3) Uani 1 1 d . . . . .
H41 H 1.146908 0.593758 0.429157 0.050 Uiso 1 1 calc R . . . .
C32 C 0.5767(10) 0.3312(8) 0.2646(8) 0.040(3) Uani 1 1 d . . . . .
H32 H 0.501228 0.358778 0.256734 0.048 Uiso 1 1 calc R . . . .
C014 C 0.6638(9) 0.5647(8) 0.5835(9) 0.038(3) Uani 1 1 d . . . . .
H014 H 0.613550 0.497832 0.551565 0.046 Uiso 1 1 calc R . . . .
C015 C 0.9747(9) 0.9186(8) 0.7867(8) 0.038(2) Uani 1 1 d . . . . .
H015 H 0.987954 0.904396 0.853688 0.046 Uiso 1 1 calc R . . . .
C40 C 0.9930(9) 0.6632(8) 0.4151(8) 0.037(2) Uani 1 1 d . . . . .
H40 H 1.032137 0.735362 0.437068 0.045 Uiso 1 1 calc R . . . .
C31 C 0.6840(9) 0.3991(7) 0.3050(8) 0.033(2) Uani 1 1 d . . . . .
C5 C 0.6412(10) 0.8198(9) 0.0567(8) 0.043(3) Uani 1 1 d . . . . .
H5 H 0.588542 0.867792 0.020223 0.052 Uiso 1 1 calc R . . . .
C13 C 0.4176(9) 0.9636(8) 0.2333(8) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.8018(9) 0.6885(8) 0.1648(8) 0.040(3) Uani 1 1 d . . . . .
H2 H 0.858288 0.642714 0.200929 0.048 Uiso 1 1 calc R . . . .
C26 C 0.4837(10) 0.5754(9) 0.1390(9) 0.047(3) Uani 1 1 d . . . . .
H26 H 0.559467 0.547057 0.150010 0.057 Uiso 1 1 calc R . . . .
C36 C 0.7997(10) 0.2464(8) 0.2894(8) 0.042(3) Uani 1 1 d . . . . .
H36 H 0.875000 0.217544 0.299156 0.050 Uiso 1 1 calc R . . . .
C4 C 0.7055(10) 0.7588(10) 0.0098(9) 0.051(3) Uani 1 1 d . . . . .
H4 H 0.694593 0.762402 -0.059496 0.061 Uiso 1 1 calc R . . . .
C12 C 0.3030(11) 1.0035(10) 0.1913(10) 0.055(3) Uani 1 1 d . . . . .
H12 H 0.271707 1.043429 0.236633 0.066 Uiso 1 1 calc R . . . .
C01F C 0.9338(9) 0.9608(8) 0.5875(9) 0.043(3) Uani 1 1 d . . . . .
H01F H 0.918836 0.976703 0.520756 0.052 Uiso 1 1 calc R . . . .
C10 C 0.2809(11) 0.9251(10) 0.0208(11) 0.061(3) Uani 1 1 d . . . . .
H10 H 0.233114 0.910601 -0.051878 0.073 Uiso 1 1 calc R . . . .
C01H C 1.0386(10) 1.0084(9) 0.7759(9) 0.048(3) Uani 1 1 d . . . . .
H01H H 1.095248 1.056698 0.835194 0.057 Uiso 1 1 calc R . . . .
C3 C 0.7849(11) 0.6932(10) 0.0635(9) 0.053(3) Uani 1 1 d . . . . .
H3 H 0.828884 0.650512 0.031346 0.064 Uiso 1 1 calc R . . . .
C23 C 0.2578(9) 0.6405(9) 0.1060(8) 0.042(3) Uani 1 1 d . . . . .
C27 C 0.2072(12) 0.6059(11) -0.0796(10) 0.070(4) Uani 1 1 d . . . . .
H27 H 0.231646 0.588143 -0.135889 0.084 Uiso 1 1 calc R . . . .
C11 C 0.2371(12) 0.9857(11) 0.0874(11) 0.067(4) Uani 1 1 d . . . . .
H11 H 0.161069 1.014511 0.060114 0.080 Uiso 1 1 calc R . . . .
C30 C 0.1354(14) 0.6549(12) 0.0834(13) 0.085(5) Uani 1 1 d . U . . .
H30 H 0.108529 0.670345 0.138413 0.102 Uiso 1 1 calc R . . . .
C28 C 0.0939(15) 0.6269(13) -0.0988(13) 0.090(5) Uani 1 1 d . U . . .
H28 H 0.039636 0.628536 -0.168026 0.108 Uiso 1 1 calc R . . . .
C29 C 0.0524(19) 0.6470(15) -0.0187(16) 0.118(6) Uani 1 1 d . U . . .
H29 H -0.031166 0.655035 -0.033887 0.141 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt2 Pt1 2.9628(6) . ?
Pt2 N6 2.017(8) . ?
Pt2 N4 1.999(8) . ?
Pt2 N5 2.128(7) . ?
Pt2 C16 1.998(9) . ?
Pt1 N3 2.027(7) . ?
Pt1 N2 2.105(8) . ?
Pt1 N1 2.023(7) . ?
Pt1 C1 1.976(10) . ?
N6 C00J 1.357(12) . ?
N6 C014 1.337(12) . ?
N4 C22 1.364(12) . ?
N4 C26 1.344(13) . ?
C6 C7 1.477(13) . ?
C6 C1 1.444(13) . ?
C6 C5 1.363(14) . ?
N3 C39 1.353(11) . ?
N3 C40 1.348(12) . ?
N5 C39 1.359(12) . ?
N5 C31 1.407(12) . ?
N2 C00E 1.384(12) . ?
N2 C00J 1.362(12) . ?
C009 C00G 1.444(13) . ?
C009 C00J 1.425(13) . ?
C009 C00M 1.364(13) . ?
N1 C7 1.359(12) . ?
N1 C15 1.361(12) . ?
C17 H17 0.9500 . ?
C17 C16 1.374(13) . ?
C17 C18 1.388(13) . ?
C7 C8 1.430(13) . ?
C21 C16 1.422(13) . ?
C21 C20 1.389(13) . ?
C21 C22 1.464(14) . ?
C00E C00G 1.398(13) . ?
C00E C01F 1.399(13) . ?
C00F H00F 0.9500 . ?
C00F C00M 1.387(14) . ?
C00F C014 1.390(14) . ?
C00G C015 1.400(14) . ?
C8 C9 1.406(14) . ?
C8 C13 1.422(14) . ?
C1 C2 1.381(13) . ?
C34 H34 0.9500 . ?
C34 C33 1.387(14) . ?
C34 C36 1.377(15) . ?
C00M H00M 0.9500 . ?
C33 H33 0.9500 . ?
C33 C32 1.387(13) . ?
C20 H20 0.9500 . ?
C20 C19 1.375(15) . ?
C14 H14 0.9500 . ?
C14 C15 1.370(13) . ?
C14 C13 1.401(14) . ?
C18 H18 0.9500 . ?
C18 C19 1.366(15) . ?
C24 C25 1.388(14) . ?
C24 C23 1.415(14) . ?
C24 C27 1.392(15) . ?
C39 C38 1.448(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.373(14) . ?
C37 C38 1.440(14) . ?
C37 C31 1.409(12) . ?
C37 C36 1.408(13) . ?
C25 H25 0.9500 . ?
C25 C26 1.343(14) . ?
C15 H15 0.9500 . ?
C42 H42 0.9500 . ?
C42 C38 1.382(13) . ?
C42 C41 1.384(14) . ?
C19 H19 0.9500 . ?
C22 C23 1.432(14) . ?
C011 H011 0.9500 . ?
C011 C01F 1.365(15) . ?
C011 C01H 1.403(15) . ?
C41 H41 0.9500 . ?
C41 C40 1.376(13) . ?
C32 H32 0.9500 . ?
C32 C31 1.376(14) . ?
C014 H014 0.9500 . ?
C015 H015 0.9500 . ?
C015 C01H 1.399(15) . ?
C40 H40 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.378(14) . ?
C13 C12 1.413(14) . ?
C2 H2 0.9500 . ?
C2 C3 1.385(15) . ?
C26 H26 0.9500 . ?
C36 H36 0.9500 . ?
C4 H4 0.9500 . ?
C4 C3 1.362(15) . ?
C12 H12 0.9500 . ?
C12 C11 1.354(16) . ?
C01F H01F 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.392(17) . ?
C01H H01H 0.9500 . ?
C3 H3 0.9500 . ?
C23 C30 1.396(17) . ?
C27 H27 0.9500 . ?
C27 C28 1.320(18) . ?
C11 H11 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.39(2) . ?
C28 H28 0.9500 . ?
C28 C29 1.40(2) . ?
C29 H29 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
N6 Pt2 Pt1 85.4(2) . . ?
N6 Pt2 N5 90.7(3) . . ?
N4 Pt2 Pt1 94.6(2) . . ?
N4 Pt2 N6 172.3(3) . . ?
N4 Pt2 N5 96.7(3) . . ?
N5 Pt2 Pt1 74.7(2) . . ?
C16 Pt2 Pt1 109.6(3) . . ?
C16 Pt2 N6 91.5(3) . . ?
C16 Pt2 N4 81.3(4) . . ?
C16 Pt2 N5 175.3(3) . . ?
N3 Pt1 Pt2 86.5(2) . . ?
N3 Pt1 N2 88.0(3) . . ?
N2 Pt1 Pt2 76.4(2) . . ?
N1 Pt1 Pt2 90.2(2) . . ?
N1 Pt1 N3 171.9(3) . . ?
N1 Pt1 N2 98.4(3) . . ?
C1 Pt1 Pt2 106.6(3) . . ?
C1 Pt1 N3 92.3(4) . . ?
C1 Pt1 N2 177.0(4) . . ?
C1 Pt1 N1 81.6(4) . . ?
C00J N6 Pt2 120.1(6) . . ?
C014 N6 Pt2 123.9(7) . . ?
C014 N6 C00J 115.6(9) . . ?
C22 N4 Pt2 116.2(6) . . ?
C26 N4 Pt2 123.7(7) . . ?
C26 N4 C22 119.8(9) . . ?
C1 C6 C7 112.4(9) . . ?
C5 C6 C7 127.0(9) . . ?
C5 C6 C1 120.6(9) . . ?
C39 N3 Pt1 117.0(6) . . ?
C40 N3 Pt1 123.5(6) . . ?
C40 N3 C39 118.3(8) . . ?
C39 N5 Pt2 125.9(6) . . ?
C39 N5 C31 105.2(7) . . ?
C31 N5 Pt2 126.3(6) . . ?
C00E N2 Pt1 126.7(7) . . ?
C00J N2 Pt1 126.3(6) . . ?
C00J N2 C00E 104.7(8) . . ?
C00J C009 C00G 104.2(8) . . ?
C00M C009 C00G 136.6(9) . . ?
C00M C009 C00J 119.2(9) . . ?
C7 N1 Pt1 114.5(6) . . ?
C7 N1 C15 121.8(8) . . ?
C15 N1 Pt1 121.9(7) . . ?
C16 C17 H17 119.0 . . ?
C16 C17 C18 122.0(10) . . ?
C18 C17 H17 119.0 . . ?
N1 C7 C6 113.9(8) . . ?
N1 C7 C8 119.4(9) . . ?
C8 C7 C6 126.6(9) . . ?
C16 C21 C22 114.0(8) . . ?
C20 C21 C16 120.1(10) . . ?
C20 C21 C22 125.7(10) . . ?
N2 C00E C00G 112.5(9) . . ?
N2 C00E C01F 127.0(10) . . ?
C00G C00E C01F 120.5(10) . . ?
C00M C00F H00F 120.4 . . ?
C00M C00F C014 119.1(9) . . ?
C014 C00F H00F 120.4 . . ?
C00E C00G C009 105.7(8) . . ?
C00E C00G C015 120.5(10) . . ?
C015 C00G C009 133.7(10) . . ?
C17 C16 Pt2 128.6(7) . . ?
C17 C16 C21 117.2(9) . . ?
C21 C16 Pt2 114.1(7) . . ?
C9 C8 C7 124.1(9) . . ?
C9 C8 C13 117.3(9) . . ?
C13 C8 C7 118.4(10) . . ?
N6 C00J N2 124.3(9) . . ?
N6 C00J C009 122.8(9) . . ?
N2 C00J C009 112.8(9) . . ?
C6 C1 Pt1 114.5(7) . . ?
C2 C1 Pt1 129.7(8) . . ?
C2 C1 C6 115.7(9) . . ?
C33 C34 H34 119.7 . . ?
C36 C34 H34 119.7 . . ?
C36 C34 C33 120.6(9) . . ?
C009 C00M C00F 118.3(9) . . ?
C009 C00M H00M 120.9 . . ?
C00F C00M H00M 120.9 . . ?
C34 C33 H33 119.0 . . ?
C34 C33 C32 122.0(10) . . ?
C32 C33 H33 119.0 . . ?
C21 C20 H20 119.9 . . ?
C19 C20 C21 120.1(11) . . ?
C19 C20 H20 119.9 . . ?
C15 C14 H14 119.7 . . ?
C15 C14 C13 120.7(9) . . ?
C13 C14 H14 119.7 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(10) . . ?
C19 C18 H18 120.1 . . ?
C25 C24 C23 118.7(9) . . ?
C25 C24 C27 121.6(10) . . ?
C27 C24 C23 119.7(10) . . ?
N3 C39 N5 125.7(8) . . ?
N3 C39 C38 121.8(9) . . ?
N5 C39 C38 112.4(8) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 C8 121.2(10) . . ?
C10 C9 H9 119.4 . . ?
C31 C37 C38 106.3(8) . . ?
C36 C37 C38 133.9(9) . . ?
C36 C37 C31 119.7(9) . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.6(10) . . ?
C26 C25 H25 120.2 . . ?
N1 C15 C14 120.6(10) . . ?
N1 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C38 C42 H42 121.0 . . ?
C38 C42 C41 118.0(9) . . ?
C41 C42 H42 121.0 . . ?
C37 C38 C39 104.5(8) . . ?
C42 C38 C39 118.2(9) . . ?
C42 C38 C37 137.3(9) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 C20 120.4(10) . . ?
C18 C19 H19 119.8 . . ?
N4 C22 C21 114.1(9) . . ?
N4 C22 C23 118.7(9) . . ?
C23 C22 C21 127.2(9) . . ?
C01F C011 H011 118.3 . . ?
C01F C011 C01H 123.4(10) . . ?
C01H C011 H011 118.3 . . ?
C42 C41 H41 119.2 . . ?
C40 C41 C42 121.7(10) . . ?
C40 C41 H41 119.2 . . ?
C33 C32 H32 121.1 . . ?
C31 C32 C33 117.8(9) . . ?
C31 C32 H32 121.1 . . ?
N6 C014 C00F 124.7(10) . . ?
N6 C014 H014 117.7 . . ?
C00F C014 H014 117.7 . . ?
C00G C015 H015 120.4 . . ?
C01H C015 C00G 119.3(10) . . ?
C01H C015 H015 120.4 . . ?
N3 C40 C41 121.9(10) . . ?
N3 C40 H40 119.0 . . ?
C41 C40 H40 119.0 . . ?
N5 C31 C37 111.6(9) . . ?
C32 C31 N5 127.0(9) . . ?
C32 C31 C37 121.3(9) . . ?
C6 C5 H5 119.4 . . ?
C6 C5 C4 121.2(10) . . ?
C4 C5 H5 119.4 . . ?
C14 C13 C8 118.7(9) . . ?
C14 C13 C12 121.5(10) . . ?
C12 C13 C8 119.7(10) . . ?
C1 C2 H2 118.8 . . ?
C1 C2 C3 122.4(10) . . ?
C3 C2 H2 118.8 . . ?
N4 C26 H26 118.4 . . ?
C25 C26 N4 123.3(10) . . ?
C25 C26 H26 118.4 . . ?
C34 C36 C37 118.5(9) . . ?
C34 C36 H36 120.7 . . ?
C37 C36 H36 120.7 . . ?
C5 C4 H4 120.3 . . ?
C3 C4 C5 119.5(11) . . ?
C3 C4 H4 120.3 . . ?
C13 C12 H12 119.5 . . ?
C11 C12 C13 120.9(11) . . ?
C11 C12 H12 119.5 . . ?
C00E C01F H01F 121.0 . . ?
C011 C01F C00E 118.0(11) . . ?
C011 C01F H01F 121.0 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.8(12) . . ?
C11 C10 H10 119.6 . . ?
C011 C01H H01H 120.8 . . ?
C015 C01H C011 118.3(10) . . ?
C015 C01H H01H 120.8 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.4(10) . . ?
C4 C3 H3 119.8 . . ?
C24 C23 C22 118.2(9) . . ?
C30 C23 C24 117.6(11) . . ?
C30 C23 C22 124.1(11) . . ?
C24 C27 H27 119.3 . . ?
C28 C27 C24 121.3(13) . . ?
C28 C27 H27 119.3 . . ?
C12 C11 C10 119.9(11) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C23 C30 H30 119.6 . . ?
C29 C30 C23 120.7(15) . . ?
C29 C30 H30 119.6 . . ?
C27 C28 H28 119.5 . . ?
C27 C28 C29 121.0(17) . . ?
C29 C28 H28 119.5 . . ?
C30 C29 C28 119.0(18) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
