# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_wkk_0311_0m
_database_code_depnum_ccdc_archive 'CCDC 2160231'
loop_
_audit_author_name
_audit_author_address
'Keke Wan'
;Jilin University
China
;
_audit_update_record             
;
2023-07-25 deposited with the CCDC.	2024-03-12 downloaded from the CCDC.
;
_audit_creation_date             2023-07-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H33 F3 N2 O2 Pt'
_chemical_formula_sum            'C32 H33 F3 N2 O2 Pt'
_chemical_formula_weight         729.69
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.0394(4)
_cell_length_b                   11.5345(5)
_cell_length_c                   13.3691(5)
_cell_angle_alpha                111.180(2)
_cell_angle_beta                 94.980(2)
_cell_angle_gamma                111.237(2)
_cell_volume                     1432.39(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9153
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.493
_cell_measurement_theta_min      2.959
_shelx_estimated_absorpt_T_max   0.907
_shelx_estimated_absorpt_T_min   0.790
_exptl_absorpt_coefficient_mu    4.949
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.588
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0414
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            54546
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         2.554
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71076
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6136
_reflns_number_total             6571
_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 (Bruker, 2019)'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         3.459
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.105
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6571
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0216
_refine_ls_restrained_S_all      1.074
_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)+(0.0161P)²+3.5779P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0474
_refine_ls_wR_factor_ref         0.0493
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C26(H26A,H26B)
2.b Me refined with riding coordinates:
 C3(H3A,H3B,H3C), C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C11(H11A,H11B,H11C)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C13(H13), C14(H14), C15(H15), C16(H16), C20(H20), C22(H22), C23(H23),
 C28(H28), C29(H29), C30(H30), C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9003(3) 0.5812(3) 0.3474(2) 0.0154(6) Uani 1 1 d . . . . .
C2 C 1.0412(3) 0.6995(3) 0.4015(3) 0.0186(6) Uani 1 1 d . . . . .
C3 C 1.1127(3) 0.6719(3) 0.4883(3) 0.0248(7) Uani 1 1 d . . . . .
H3A H 1.058716 0.661534 0.541572 0.037 Uiso 1 1 calc R U . . .
H3B H 1.124298 0.587602 0.451382 0.037 Uiso 1 1 calc R U . . .
H3C H 1.200869 0.749157 0.527397 0.037 Uiso 1 1 calc R U . . .
C4 C 1.0239(3) 0.8327(3) 0.4593(3) 0.0236(7) Uani 1 1 d . . . . .
H4A H 0.968845 0.822566 0.511932 0.035 Uiso 1 1 calc R U . . .
H4B H 1.112193 0.909388 0.499026 0.035 Uiso 1 1 calc R U . . .
H4C H 0.979666 0.850975 0.403666 0.035 Uiso 1 1 calc R U . . .
C5 C 1.1271(3) 0.7154(4) 0.3194(3) 0.0277(7) Uani 1 1 d . . . . .
H5A H 1.215314 0.792247 0.359056 0.042 Uiso 1 1 calc R U . . .
H5B H 1.138420 0.630766 0.282844 0.042 Uiso 1 1 calc R U . . .
H5C H 1.082740 0.733265 0.263572 0.042 Uiso 1 1 calc R U . . .
C6 C 0.8560(3) 0.5049(3) 0.2319(2) 0.0186(6) Uani 1 1 d . . . . .
H6 H 0.918377 0.528805 0.190118 0.022 Uiso 1 1 calc R U . . .
C7 C 0.7304(3) 0.3979(3) 0.1722(2) 0.0166(6) Uani 1 1 d . . . . .
C8 C 0.6934(3) 0.3226(3) 0.0450(2) 0.0220(6) Uani 1 1 d . . . . .
C9 C 0.6600(4) 0.1710(4) 0.0152(3) 0.0327(8) Uani 1 1 d . . . . .
H9A H 0.588396 0.134464 0.048724 0.049 Uiso 1 1 calc R U . . .
H9B H 0.630122 0.118752 -0.065537 0.049 Uiso 1 1 calc R U . . .
H9C H 0.740179 0.162875 0.043260 0.049 Uiso 1 1 calc R U . . .
C10 C 0.5688(4) 0.3365(4) 0.0004(3) 0.0306(8) Uani 1 1 d . . . . .
H10A H 0.496612 0.300629 0.033690 0.046 Uiso 1 1 calc R U . . .
H10B H 0.591107 0.433442 0.019347 0.046 Uiso 1 1 calc R U . . .
H10C H 0.539256 0.284260 -0.080309 0.046 Uiso 1 1 calc R U . . .
C11 C 0.8052(4) 0.3789(4) -0.0076(3) 0.0317(8) Uani 1 1 d . . . . .
H11A H 0.826844 0.475721 0.011300 0.048 Uiso 1 1 calc R U . . .
H11B H 0.885210 0.370604 0.020553 0.048 Uiso 1 1 calc R U . . .
H11C H 0.775153 0.326481 -0.088243 0.048 Uiso 1 1 calc R U . . .
C12 C 0.4569(3) 0.2604(3) 0.3407(2) 0.0146(5) Uani 1 1 d . . . . .
C13 C 0.3741(3) 0.1661(3) 0.2355(2) 0.0178(6) Uani 1 1 d . . . . .
H13 H 0.403434 0.170206 0.171636 0.021 Uiso 1 1 calc R U . . .
C14 C 0.2489(3) 0.0661(3) 0.2234(3) 0.0223(6) Uani 1 1 d . . . . .
H14 H 0.193253 0.003290 0.151230 0.027 Uiso 1 1 calc R U . . .
C15 C 0.2045(3) 0.0570(3) 0.3155(3) 0.0227(6) Uani 1 1 d . . . . .
H15 H 0.119123 -0.012164 0.306080 0.027 Uiso 1 1 calc R U . . .
C16 C 0.2846(3) 0.1488(3) 0.4211(3) 0.0206(6) Uani 1 1 d . . . . .
H16 H 0.254908 0.142180 0.484288 0.025 Uiso 1 1 calc R U . . .
C17 C 0.4089(3) 0.2507(3) 0.4339(2) 0.0157(6) Uani 1 1 d . . . . .
C18 C 0.5063(3) 0.3563(3) 0.5366(2) 0.0149(5) Uani 1 1 d . . . . .
C19 C 0.6268(3) 0.4970(3) 0.7081(2) 0.0166(6) Uani 1 1 d . . . . .
C20 C 0.6778(3) 0.5697(3) 0.8224(2) 0.0190(6) Uani 1 1 d . . . . .
H20 H 0.628131 0.547354 0.872472 0.023 Uiso 1 1 calc R U . . .
C21 C 0.8052(3) 0.6766(3) 0.8591(3) 0.0223(6) Uani 1 1 d . . . . .
C22 C 0.8786(3) 0.7100(3) 0.7853(3) 0.0222(6) Uani 1 1 d . . . . .
H22 H 0.965545 0.783866 0.813911 0.027 Uiso 1 1 calc R U . . .
C23 C 0.8274(3) 0.6379(3) 0.6718(2) 0.0187(6) Uani 1 1 d . . . . .
H23 H 0.877081 0.660856 0.621916 0.022 Uiso 1 1 calc R U . . .
C24 C 0.6994(3) 0.5299(3) 0.6339(2) 0.0159(6) Uani 1 1 d . . . . .
C25 C 0.8629(4) 0.7648(4) 0.9800(3) 0.0273(7) Uani 1 1 d . . . . .
C26 C 0.3942(3) 0.3286(3) 0.6890(3) 0.0179(6) Uani 1 1 d . . . . .
H26A H 0.308992 0.307585 0.640370 0.021 Uiso 1 1 calc R U . . .
H26B H 0.403994 0.397856 0.763242 0.021 Uiso 1 1 calc R U . . .
C27 C 0.3858(3) 0.1989(3) 0.6986(2) 0.0159(6) Uani 1 1 d . . . . .
C28 C 0.2834(3) 0.1354(3) 0.7408(3) 0.0212(6) Uani 1 1 d . . . . .
H28 H 0.218870 0.170787 0.759018 0.025 Uiso 1 1 calc R U . . .
C29 C 0.2756(4) 0.0201(3) 0.7562(3) 0.0277(7) Uani 1 1 d . . . . .
H29 H 0.206271 -0.022441 0.785690 0.033 Uiso 1 1 calc R U . . .
C30 C 0.3685(4) -0.0330(3) 0.7288(3) 0.0267(7) Uani 1 1 d . . . . .
H30 H 0.363709 -0.111058 0.740208 0.032 Uiso 1 1 calc R U . . .
C31 C 0.4683(4) 0.0286(3) 0.6847(3) 0.0252(7) Uani 1 1 d . . . . .
H31 H 0.531153 -0.008463 0.664331 0.030 Uiso 1 1 calc R U . . .
C32 C 0.4769(3) 0.1441(3) 0.6700(3) 0.0222(6) Uani 1 1 d . . . . .
H32 H 0.546098 0.185926 0.639973 0.027 Uiso 1 1 calc R U . . .
F1 F 0.8002(3) 0.7076(3) 1.04271(17) 0.0514(7) Uani 1 1 d . . . . .
F2 F 0.8572(3) 0.8855(3) 1.01167(19) 0.0566(8) Uani 1 1 d . . . . .
F3 F 0.9915(3) 0.7923(3) 1.0126(2) 0.0624(8) Uani 1 1 d . . . . .
N1 N 0.6213(2) 0.4401(2) 0.5275(2) 0.0152(5) Uani 1 1 d . . . . .
N2 N 0.5053(3) 0.3874(3) 0.6448(2) 0.0163(5) Uani 1 1 d . . . . .
O1 O 0.8312(2) 0.5620(2) 0.41663(16) 0.0161(4) Uani 1 1 d . . . . .
O2 O 0.6333(2) 0.3504(2) 0.21332(17) 0.0180(4) Uani 1 1 d . . . . .
Pt1 Pt 0.63905(2) 0.40618(2) 0.37370(2) 0.01287(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.535(4) . ?
C1 C6 1.404(4) . ?
C1 O1 1.279(3) . ?
C2 C3 1.536(4) . ?
C2 C4 1.541(4) . ?
C2 C5 1.530(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6 0.9500 . ?
C6 C7 1.393(4) . ?
C7 C8 1.538(4) . ?
C7 O2 1.283(3) . ?
C8 C9 1.535(5) . ?
C8 C10 1.536(5) . ?
C8 C11 1.529(4) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.395(4) . ?
C12 C17 1.422(4) . ?
C12 Pt1 1.981(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.392(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.389(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.386(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.393(4) . ?
C17 C18 1.453(4) . ?
C18 N1 1.336(4) . ?
C18 N2 1.361(4) . ?
C19 C20 1.392(4) . ?
C19 C24 1.400(4) . ?
C19 N2 1.384(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.388(5) . ?
C21 C22 1.402(5) . ?
C21 C25 1.489(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.396(4) . ?
C24 N1 1.384(4) . ?
C25 F1 1.337(4) . ?
C25 F2 1.328(4) . ?
C25 F3 1.331(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.518(4) . ?
C26 N2 1.458(4) . ?
C27 C28 1.394(4) . ?
C27 C32 1.382(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.392(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.384(5) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(5) . ?
C31 H31 0.9500 . ?
C31 C32 1.387(4) . ?
C32 H32 0.9500 . ?
N1 Pt1 1.991(2) . ?
O1 Pt1 2.084(2) . ?
O2 Pt1 1.991(2) . ?

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
C6 C1 C2 121.0(3) . . ?
O1 C1 C2 113.7(3) . . ?
O1 C1 C6 125.2(3) . . ?
C1 C2 C3 108.0(2) . . ?
C1 C2 C4 107.6(2) . . ?
C3 C2 C4 109.6(3) . . ?
C5 C2 C1 113.6(3) . . ?
C5 C2 C3 108.6(3) . . ?
C5 C2 C4 109.5(3) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 C6 H6 116.5 . . ?
C7 C6 C1 126.9(3) . . ?
C7 C6 H6 116.5 . . ?
C6 C7 C8 122.0(3) . . ?
O2 C7 C6 125.9(3) . . ?
O2 C7 C8 112.1(3) . . ?
C9 C8 C7 107.4(3) . . ?
C9 C8 C10 110.0(3) . . ?
C10 C8 C7 107.6(3) . . ?
C11 C8 C7 113.8(3) . . ?
C11 C8 C9 109.2(3) . . ?
C11 C8 C10 108.9(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C17 117.8(3) . . ?
C13 C12 Pt1 126.2(2) . . ?
C17 C12 Pt1 116.0(2) . . ?
C12 C13 H13 119.7 . . ?
C14 C13 C12 120.6(3) . . ?
C14 C13 H13 119.7 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.5(3) . . ?
C17 C16 H16 120.3 . . ?
C12 C17 C18 110.9(2) . . ?
C16 C17 C12 121.3(3) . . ?
C16 C17 C18 127.8(3) . . ?
N1 C18 C17 116.7(3) . . ?
N1 C18 N2 111.1(3) . . ?
N2 C18 C17 132.2(3) . . ?
C20 C19 C24 122.0(3) . . ?
N2 C19 C20 131.2(3) . . ?
N2 C19 C24 106.7(3) . . ?
C19 C20 H20 121.8 . . ?
C21 C20 C19 116.4(3) . . ?
C21 C20 H20 121.8 . . ?
C20 C21 C22 121.9(3) . . ?
C20 C21 C25 119.5(3) . . ?
C22 C21 C25 118.5(3) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 C21 121.6(3) . . ?
C23 C22 H22 119.2 . . ?
C22 C23 H23 121.5 . . ?
C22 C23 C24 117.0(3) . . ?
C24 C23 H23 121.5 . . ?
C23 C24 C19 121.1(3) . . ?
N1 C24 C19 107.9(3) . . ?
N1 C24 C23 131.0(3) . . ?
F1 C25 C21 113.0(3) . . ?
F2 C25 C21 113.2(3) . . ?
F2 C25 F1 105.6(3) . . ?
F2 C25 F3 106.1(3) . . ?
F3 C25 C21 112.7(3) . . ?
F3 C25 F1 105.5(3) . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 H26A 108.9 . . ?
C27 C26 H26B 108.9 . . ?
N2 C26 H26A 108.9 . . ?
N2 C26 H26B 108.9 . . ?
N2 C26 C27 113.6(2) . . ?
C28 C27 C26 118.0(3) . . ?
C32 C27 C26 122.8(3) . . ?
C32 C27 C28 119.2(3) . . ?
C27 C28 H28 120.0 . . ?
C29 C28 C27 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C28 C29 H29 119.8 . . ?
C30 C29 C28 120.4(3) . . ?
C30 C29 H29 119.8 . . ?
C29 C30 H30 120.3 . . ?
C31 C30 C29 119.4(3) . . ?
C31 C30 H30 120.3 . . ?
C30 C31 H31 119.8 . . ?
C30 C31 C32 120.4(3) . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 120.6(3) . . ?
C27 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C18 N1 C24 107.1(2) . . ?
C18 N1 Pt1 115.9(2) . . ?
C24 N1 Pt1 136.9(2) . . ?
C18 N2 C19 107.1(2) . . ?
C18 N2 C26 127.7(3) . . ?
C19 N2 C26 124.8(2) . . ?
C1 O1 Pt1 124.40(19) . . ?
C7 O2 Pt1 126.37(19) . . ?
C12 Pt1 N1 80.43(11) . . ?
C12 Pt1 O1 177.22(10) . . ?
C12 Pt1 O2 91.93(10) . . ?
N1 Pt1 O1 96.79(9) . . ?
N1 Pt1 O2 172.33(9) . . ?
O2 Pt1 O1 90.85(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C6 C7 C8 179.6(3) . . . . ?
C1 C6 C7 O2 -0.4(5) . . . . ?
C2 C1 C6 C7 -178.3(3) . . . . ?
C2 C1 O1 Pt1 -177.51(17) . . . . ?
C6 C1 C2 C3 -125.2(3) . . . . ?
C6 C1 C2 C4 116.6(3) . . . . ?
C6 C1 C2 C5 -4.7(4) . . . . ?
C6 C1 O1 Pt1 3.0(4) . . . . ?
C6 C7 C8 C9 119.4(3) . . . . ?
C6 C7 C8 C10 -122.3(3) . . . . ?
C6 C7 C8 C11 -1.5(4) . . . . ?
C6 C7 O2 Pt1 -4.8(4) . . . . ?
C8 C7 O2 Pt1 175.26(18) . . . . ?
C12 C13 C14 C15 -0.8(5) . . . . ?
C12 C17 C18 N1 -1.3(4) . . . . ?
C12 C17 C18 N2 180.0(3) . . . . ?
C13 C12 C17 C16 1.3(4) . . . . ?
C13 C12 C17 C18 -179.6(3) . . . . ?
C13 C14 C15 C16 0.5(5) . . . . ?
C14 C15 C16 C17 0.7(5) . . . . ?
C15 C16 C17 C12 -1.6(4) . . . . ?
C15 C16 C17 C18 179.5(3) . . . . ?
C16 C17 C18 N1 177.7(3) . . . . ?
C16 C17 C18 N2 -1.0(5) . . . . ?
C17 C12 C13 C14 -0.1(4) . . . . ?
C17 C18 N1 C24 -178.9(2) . . . . ?
C17 C18 N1 Pt1 0.3(3) . . . . ?
C17 C18 N2 C19 178.6(3) . . . . ?
C17 C18 N2 C26 -7.4(5) . . . . ?
C19 C20 C21 C22 0.2(5) . . . . ?
C19 C20 C21 C25 176.0(3) . . . . ?
C19 C24 N1 C18 0.0(3) . . . . ?
C19 C24 N1 Pt1 -179.0(2) . . . . ?
C20 C19 C24 C23 0.1(4) . . . . ?
C20 C19 C24 N1 -179.5(3) . . . . ?
C20 C19 N2 C18 179.5(3) . . . . ?
C20 C19 N2 C26 5.3(5) . . . . ?
C20 C21 C22 C23 0.1(5) . . . . ?
C20 C21 C25 F1 17.8(5) . . . . ?
C20 C21 C25 F2 -102.2(4) . . . . ?
C20 C21 C25 F3 137.3(3) . . . . ?
C21 C22 C23 C24 -0.2(5) . . . . ?
C22 C21 C25 F1 -166.2(3) . . . . ?
C22 C21 C25 F2 73.8(4) . . . . ?
C22 C21 C25 F3 -46.7(4) . . . . ?
C22 C23 C24 C19 0.1(4) . . . . ?
C22 C23 C24 N1 179.7(3) . . . . ?
C23 C24 N1 C18 -179.6(3) . . . . ?
C23 C24 N1 Pt1 1.4(5) . . . . ?
C24 C19 C20 C21 -0.3(4) . . . . ?
C24 C19 N2 C18 0.2(3) . . . . ?
C24 C19 N2 C26 -174.1(3) . . . . ?
C25 C21 C22 C23 -175.8(3) . . . . ?
C26 C27 C28 C29 -176.8(3) . . . . ?
C26 C27 C32 C31 177.2(3) . . . . ?
C27 C26 N2 C18 87.2(3) . . . . ?
C27 C26 N2 C19 -99.8(3) . . . . ?
C27 C28 C29 C30 -0.6(5) . . . . ?
C28 C27 C32 C31 -1.1(5) . . . . ?
C28 C29 C30 C31 -0.8(5) . . . . ?
C29 C30 C31 C32 1.3(5) . . . . ?
C30 C31 C32 C27 -0.3(5) . . . . ?
C32 C27 C28 C29 1.5(5) . . . . ?
N1 C18 N2 C19 -0.2(3) . . . . ?
N1 C18 N2 C26 173.8(3) . . . . ?
N2 C18 N1 C24 0.1(3) . . . . ?
N2 C18 N1 Pt1 179.32(18) . . . . ?
N2 C19 C20 C21 -179.5(3) . . . . ?
N2 C19 C24 C23 179.6(3) . . . . ?
N2 C19 C24 N1 -0.1(3) . . . . ?
N2 C26 C27 C28 179.5(3) . . . . ?
N2 C26 C27 C32 1.2(4) . . . . ?
O1 C1 C2 C3 55.3(3) . . . . ?
O1 C1 C2 C4 -62.9(3) . . . . ?
O1 C1 C2 C5 175.8(3) . . . . ?
O1 C1 C6 C7 1.2(5) . . . . ?
O2 C7 C8 C9 -60.6(3) . . . . ?
O2 C7 C8 C10 57.7(3) . . . . ?
O2 C7 C8 C11 178.4(3) . . . . ?
Pt1 C12 C13 C14 178.4(2) . . . . ?
Pt1 C12 C17 C16 -177.4(2) . . . . ?
Pt1 C12 C17 C18 1.7(3) . . . . ?

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2284342'
loop_
_audit_author_name
_audit_author_address
'Keke Wan'
;Jilin University
China
;
_audit_update_record             
;
2023-07-25 deposited with the CCDC.	2024-03-12 downloaded from the CCDC.
;
_audit_creation_date             2023-07-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H36 N2 O2 Pt'
_chemical_formula_sum            'C32 H36 N2 O2 Pt'
_chemical_formula_weight         675.72
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      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                   11.0801(6)
_cell_length_b                   11.4438(6)
_cell_length_c                   13.3443(7)
_cell_angle_alpha                113.058(2)
_cell_angle_beta                 94.169(2)
_cell_angle_gamma                110.653(2)
_cell_volume                     1412.45(13)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9933
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.70
_cell_measurement_theta_min      2.96
_shelx_estimated_absorpt_T_max   0.907
_shelx_estimated_absorpt_T_min   0.788
_exptl_absorpt_coefficient_mu    4.998
_exptl_absorpt_correction_T_max  0.907
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0655
_diffrn_reflns_av_unetI/netI     0.0446
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            30029
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.955
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_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                4241
_reflns_number_total             4981
_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       'Bruker D8 Venture'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'Bruker D8 Venture'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.287
_refine_diff_density_min         -0.080
_refine_diff_density_rms         0.009
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         4981
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0885
_refine_ls_R_factor_gt           0.0721
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0215P)²+0.0644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1559
_refine_ls_wR_factor_ref         0.1691
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C4, C7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
C4 \\sim C7: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08
within 2A
Uanis(C3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4.a Secondary CH2 refined with riding coordinates:
 C8(H8A,H8B)
4.b Me refined with riding coordinates:
 C7(H7A,H7B,H7C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,
 H26C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C)
4.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C2(H2), C5(H5), C14(H14), C10(H10), C11(H11), C12(H12), C13(H13),
 C17(H17), C18(H18), C19(H19), C20(H20), C27(H27)
4.d Fitted hexagon refined as free rotating group:
 C4(C3,C2,C1,C6,C5), C14(C9,C10,C11,C12,C13), C16(C17,C18,C19,C20,C21)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C4 C 0.1908(9) 0.3292(9) 0.1294(5) 0.066(4) Uani 1 1 d G U . . .
C3 C 0.1174(7) 0.2951(8) 0.2017(6) 0.061(3) Uani 1 1 d G U . . .
H3 H 0.029862 0.222909 0.172384 0.073 Uiso 1 1 calc R U . . .
C2 C 0.1721(8) 0.3665(8) 0.3170(6) 0.055(3) Uani 1 1 d G . . . .
H2 H 0.121894 0.343168 0.366469 0.066 Uiso 1 1 calc R U . . .
C1 C 0.3002(8) 0.4721(8) 0.3600(5) 0.056(3) Uani 1 1 d G . . . .
C6 C 0.3736(7) 0.5062(8) 0.2876(7) 0.055(3) Uani 1 1 d G . . . .
C5 C 0.3189(9) 0.4347(9) 0.1723(6) 0.067(4) Uani 1 1 d G . . . .
H5 H 0.369110 0.458067 0.122855 0.080 Uiso 1 1 calc R U . . .
C7 C 0.120(3) 0.241(3) 0.005(2) 0.159(11) Uani 1 1 d . U . . .
H7A H 0.177932 0.270996 -0.040461 0.238 Uiso 1 1 calc R U . . .
H7B H 0.098594 0.142113 -0.015917 0.238 Uiso 1 1 calc R U . . .
H7C H 0.037493 0.251646 -0.009629 0.238 Uiso 1 1 calc R U . . .
C8 C 0.6077(15) 0.6670(14) 0.3097(12) 0.061(3) Uani 1 1 d . . . . .
H8A H 0.602999 0.593149 0.236835 0.073 Uiso 1 1 calc R U . . .
H8B H 0.690431 0.693291 0.363020 0.073 Uiso 1 1 calc R U . . .
C14 C 0.5327(8) 0.8612(9) 0.3309(7) 0.062(3) Uani 1 1 d G . . . .
H14 H 0.470270 0.829719 0.369869 0.075 Uiso 1 1 calc R U . . .
C9 C 0.6153(9) 0.7943(8) 0.2937(8) 0.054(3) Uani 1 1 d G . . . .
C10 C 0.7067(9) 0.8404(10) 0.2367(9) 0.072(4) Uani 1 1 d G . . . .
H10 H 0.763185 0.794685 0.211245 0.086 Uiso 1 1 calc R U . . .
C11 C 0.7155(10) 0.9533(10) 0.2168(9) 0.081(5) Uani 1 1 d G . . . .
H11 H 0.777936 0.984724 0.177804 0.097 Uiso 1 1 calc R U . . .
C12 C 0.6329(10) 1.0201(8) 0.2540(8) 0.069(4) Uani 1 1 d G . . . .
H12 H 0.638855 1.097265 0.240395 0.083 Uiso 1 1 calc R U . . .
C13 C 0.5415(9) 0.9741(9) 0.3110(8) 0.064(3) Uani 1 1 d G . . . .
H13 H 0.485021 1.019762 0.336427 0.076 Uiso 1 1 calc R U . . .
C15 C 0.4915(13) 0.6406(13) 0.4619(10) 0.052(3) Uani 1 1 d . . . . .
C16 C 0.5879(8) 0.7467(8) 0.5666(5) 0.056(3) Uani 1 1 d G . . . .
C17 C 0.7128(8) 0.8477(9) 0.5825(6) 0.059(3) Uani 1 1 d G . . . .
H17 H 0.743810 0.854418 0.519615 0.071 Uiso 1 1 calc R U . . .
C18 C 0.7924(6) 0.9389(8) 0.6906(7) 0.063(3) Uani 1 1 d G . . . .
H18 H 0.877780 1.007906 0.701467 0.076 Uiso 1 1 calc R U . . .
C19 C 0.7471(7) 0.9291(8) 0.7826(5) 0.061(3) Uani 1 1 d G . . . .
H19 H 0.801494 0.991406 0.856464 0.073 Uiso 1 1 calc R U . . .
C20 C 0.6222(7) 0.8281(8) 0.7667(5) 0.050(3) Uani 1 1 d G . . . .
H20 H 0.591240 0.821419 0.829611 0.060 Uiso 1 1 calc R U . . .
C21 C 0.5426(6) 0.7369(7) 0.6587(6) 0.051(3) Uani 1 1 d G . . . .
C22 C 0.2596(13) 0.5985(14) 0.8236(11) 0.055(3) Uani 1 1 d . . . . .
C23 C 0.2980(15) 0.6742(14) 0.9530(11) 0.062(3) Uani 1 1 d . . . . .
C24 C 0.4100(16) 0.6462(16) 0.9958(12) 0.069(4) Uani 1 1 d . . . . .
H24A H 0.379578 0.545826 0.972094 0.104 Uiso 1 1 calc R U . . .
H24B H 0.485865 0.678299 0.965110 0.104 Uiso 1 1 calc R U . . .
H24C H 0.436942 0.696429 1.078041 0.104 Uiso 1 1 calc R U . . .
C25 C 0.3456(19) 0.8320(16) 0.9902(12) 0.075(4) Uani 1 1 d . . . . .
H25A H 0.273068 0.850065 0.962456 0.112 Uiso 1 1 calc R U . . .
H25B H 0.372609 0.882253 1.072450 0.112 Uiso 1 1 calc R U . . .
H25C H 0.421532 0.864123 0.959519 0.112 Uiso 1 1 calc R U . . .
C26 C 0.1792(17) 0.627(2) 1.0035(13) 0.080(4) Uani 1 1 d . . . . .
H26A H 0.106859 0.645194 0.975563 0.120 Uiso 1 1 calc R U . . .
H26B H 0.148031 0.526793 0.981235 0.120 Uiso 1 1 calc R U . . .
H26C H 0.207445 0.678877 1.085559 0.120 Uiso 1 1 calc R U . . .
C27 C 0.1357(13) 0.4913(14) 0.7614(11) 0.056(3) Uani 1 1 d . . . . .
H27 H 0.072124 0.470791 0.803072 0.067 Uiso 1 1 calc R U . . .
C28 C 0.0924(13) 0.4090(16) 0.6435(11) 0.057(3) Uani 1 1 d . . . . .
C29 C -0.0459(12) 0.2958(13) 0.5876(11) 0.054(3) Uani 1 1 d . . . . .
C30 C -0.0298(14) 0.1582(14) 0.5313(13) 0.063(3) Uani 1 1 d . . . . .
H30A H -0.117618 0.080464 0.493361 0.095 Uiso 1 1 calc R U . . .
H30B H 0.023283 0.162775 0.476178 0.095 Uiso 1 1 calc R U . . .
H30C H 0.015344 0.143831 0.588489 0.095 Uiso 1 1 calc R U . . .
C31 C -0.1153(15) 0.3194(15) 0.4981(12) 0.067(4) Uani 1 1 d . . . . .
H31A H -0.205217 0.244688 0.462596 0.101 Uiso 1 1 calc R U . . .
H31B H -0.120756 0.409671 0.533458 0.101 Uiso 1 1 calc R U . . .
H31C H -0.064354 0.318737 0.440990 0.101 Uiso 1 1 calc R U . . .
C32 C -0.1342(14) 0.2824(15) 0.6697(13) 0.067(4) Uani 1 1 d . . . . .
H32A H -0.222515 0.207052 0.627908 0.101 Uiso 1 1 calc R U . . .
H32B H -0.093789 0.261095 0.724375 0.101 Uiso 1 1 calc R U . . .
H32C H -0.142719 0.370456 0.709274 0.101 Uiso 1 1 calc R U . . .
N1 N 0.3748(10) 0.5578(10) 0.4670(8) 0.050(2) Uani 1 1 d . . . . .
N2 N 0.4951(11) 0.6109(11) 0.3512(9) 0.056(3) Uani 1 1 d . . . . .
O1 O 0.3574(8) 0.6443(9) 0.7838(7) 0.051(2) Uani 1 1 d . . . . .
O2 O 0.1647(9) 0.4343(9) 0.5770(7) 0.053(2) Uani 1 1 d . . . . .
Pt1 Pt 0.35666(5) 0.59064(5) 0.62255(4) 0.0535(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
C4 C3 1.3900 . ?
C4 C5 1.3900 . ?
C4 C7 1.53(3) . ?
C3 H3 0.9500 . ?
C3 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C1 1.3900 . ?
C1 C6 1.3900 . ?
C1 N1 1.359(12) . ?
C6 C5 1.3900 . ?
C6 N2 1.367(13) . ?
C5 H5 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.528(14) . ?
C8 N2 1.445(16) . ?
C14 H14 0.9500 . ?
C14 C9 1.3900 . ?
C14 C13 1.3900 . ?
C9 C10 1.3900 . ?
C10 H10 0.9500 . ?
C10 C11 1.3900 . ?
C11 H11 0.9500 . ?
C11 C12 1.3900 . ?
C12 H12 0.9500 . ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C15 C16 1.452(14) . ?
C15 N1 1.332(16) . ?
C15 N2 1.387(15) . ?
C16 C17 1.3900 . ?
C16 C21 1.3900 . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C18 H18 0.9500 . ?
C18 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 Pt1 2.018(6) . ?
C22 C23 1.541(18) . ?
C22 C27 1.388(19) . ?
C22 O1 1.278(14) . ?
C23 C24 1.51(2) . ?
C23 C25 1.54(2) . ?
C23 C26 1.55(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27 0.9500 . ?
C27 C28 1.416(19) . ?
C28 C29 1.503(19) . ?
C28 O2 1.286(14) . ?
C29 C30 1.538(17) . ?
C29 C31 1.536(18) . ?
C29 C32 1.538(18) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
N1 Pt1 1.998(10) . ?
O1 Pt1 1.991(8) . ?
O2 Pt1 2.091(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 C4 C5 120.0 . . ?
C3 C4 C7 114.6(14) . . ?
C5 C4 C7 125.4(14) . . ?
C4 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C1 C6 120.0 . . ?
N1 C1 C2 131.7(7) . . ?
N1 C1 C6 108.3(7) . . ?
C5 C6 C1 120.0 . . ?
N2 C6 C1 107.9(7) . . ?
N2 C6 C5 132.1(7) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
H8A C8 H8B 107.7 . . ?
C9 C8 H8A 108.8 . . ?
C9 C8 H8B 108.8 . . ?
N2 C8 H8A 108.8 . . ?
N2 C8 H8B 108.8 . . ?
N2 C8 C9 113.8(10) . . ?
C9 C14 H14 120.0 . . ?
C9 C14 C13 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C9 C8 122.5(7) . . ?
C14 C9 C10 120.0 . . ?
C10 C9 C8 117.4(7) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C13 H13 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
N1 C15 C16 118.2(10) . . ?
N1 C15 N2 110.7(11) . . ?
N2 C15 C16 131.1(11) . . ?
C17 C16 C15 128.6(7) . . ?
C17 C16 C21 120.0 . . ?
C21 C16 C15 111.3(7) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C16 C21 Pt1 115.4(4) . . ?
C20 C21 C16 120.0 . . ?
C20 C21 Pt1 124.5(4) . . ?
C27 C22 C23 123.1(11) . . ?
O1 C22 C23 111.0(12) . . ?
O1 C22 C27 125.9(12) . . ?
C22 C23 C26 112.2(12) . . ?
C24 C23 C22 108.9(11) . . ?
C24 C23 C25 109.5(13) . . ?
C24 C23 C26 109.6(12) . . ?
C25 C23 C22 108.3(11) . . ?
C25 C23 C26 108.3(13) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27 116.0 . . ?
C22 C27 C28 127.9(12) . . ?
C28 C27 H27 116.0 . . ?
C27 C28 C29 121.9(11) . . ?
O2 C28 C27 122.0(12) . . ?
O2 C28 C29 115.7(11) . . ?
C28 C29 C30 106.1(10) . . ?
C28 C29 C31 110.6(11) . . ?
C28 C29 C32 113.8(11) . . ?
C31 C29 C30 109.6(11) . . ?
C31 C29 C32 108.7(11) . . ?
C32 C29 C30 107.9(11) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 N1 Pt1 138.0(8) . . ?
C15 N1 C1 107.4(9) . . ?
C15 N1 Pt1 114.6(8) . . ?
C6 N2 C8 126.4(10) . . ?
C6 N2 C15 105.7(10) . . ?
C15 N2 C8 127.6(12) . . ?
C22 O1 Pt1 127.0(8) . . ?
C28 O2 Pt1 126.9(9) . . ?
C21 Pt1 O2 177.2(3) . . ?
N1 Pt1 C21 80.4(4) . . ?
N1 Pt1 O2 96.9(4) . . ?
O1 Pt1 C21 93.1(3) . . ?
O1 Pt1 N1 173.3(4) . . ?
O1 Pt1 O2 89.6(3) . . ?

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
C4 C3 C2 C1 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C3 C2 C1 C6 0.0 . . . . ?
C3 C2 C1 N1 178.9(10) . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C1 C6 N2 -179.2(8) . . . . ?
C2 C1 N1 C15 179.9(7) . . . . ?
C2 C1 N1 Pt1 -0.1(15) . . . . ?
C1 C6 C5 C4 0.0 . . . . ?
C1 C6 N2 C8 172.5(10) . . . . ?
C1 C6 N2 C15 -1.5(10) . . . . ?
C6 C1 N1 C15 -1.1(10) . . . . ?
C6 C1 N1 Pt1 178.9(8) . . . . ?
C5 C4 C3 C2 0.0 . . . . ?
C5 C6 N2 C8 -6.6(16) . . . . ?
C5 C6 N2 C15 179.4(7) . . . . ?
C7 C4 C3 C2 178.8(16) . . . . ?
C7 C4 C5 C6 -178.7(18) . . . . ?
C8 C9 C10 C11 178.2(10) . . . . ?
C14 C9 C10 C11 0.0 . . . . ?
C9 C8 N2 C6 93.1(14) . . . . ?
C9 C8 N2 C15 -94.2(15) . . . . ?
C9 C14 C13 C12 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C13 0.0 . . . . ?
C11 C12 C13 C14 0.0 . . . . ?
C13 C14 C9 C8 -178.1(10) . . . . ?
C13 C14 C9 C10 0.0 . . . . ?
C15 C16 C17 C18 -178.5(9) . . . . ?
C15 C16 C21 C20 178.8(8) . . . . ?
C15 C16 C21 Pt1 -3.6(7) . . . . ?
C16 C15 N1 C1 177.5(8) . . . . ?
C16 C15 N1 Pt1 -2.5(13) . . . . ?
C16 C15 N2 C6 -176.0(10) . . . . ?
C16 C15 N2 C8 10(2) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C17 C16 C21 C20 0.0 . . . . ?
C17 C16 C21 Pt1 177.6(5) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C19 C20 C21 Pt1 -177.4(6) . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
C22 C27 C28 C29 -180.0(12) . . . . ?
C22 C27 C28 O2 -6(2) . . . . ?
C23 C22 C27 C28 -175.7(13) . . . . ?
C23 C22 O1 Pt1 -175.6(8) . . . . ?
C27 C22 C23 C24 116.0(14) . . . . ?
C27 C22 C23 C25 -125.0(14) . . . . ?
C27 C22 C23 C26 -5.6(19) . . . . ?
C27 C22 O1 Pt1 6.8(17) . . . . ?
C27 C28 C29 C30 -116.8(14) . . . . ?
C27 C28 C29 C31 124.4(13) . . . . ?
C27 C28 C29 C32 1.7(18) . . . . ?
C27 C28 O2 Pt1 2.0(17) . . . . ?
C29 C28 O2 Pt1 176.1(8) . . . . ?
N1 C1 C6 C5 -179.1(8) . . . . ?
N1 C1 C6 N2 1.6(8) . . . . ?
N1 C15 C16 C17 -177.3(7) . . . . ?
N1 C15 C16 C21 4.1(12) . . . . ?
N1 C15 N2 C6 0.8(12) . . . . ?
N1 C15 N2 C8 -173.1(11) . . . . ?
N2 C6 C5 C4 179.0(10) . . . . ?
N2 C8 C9 C14 8.7(15) . . . . ?
N2 C8 C9 C10 -169.4(9) . . . . ?
N2 C15 C16 C17 -0.7(16) . . . . ?
N2 C15 C16 C21 -179.3(10) . . . . ?
N2 C15 N1 C1 0.2(12) . . . . ?
N2 C15 N1 Pt1 -179.8(7) . . . . ?
O1 C22 C23 C24 -61.7(14) . . . . ?
O1 C22 C23 C25 57.4(15) . . . . ?
O1 C22 C23 C26 176.8(12) . . . . ?
O1 C22 C27 C28 2(2) . . . . ?
O2 C28 C29 C30 69.0(14) . . . . ?
O2 C28 C29 C31 -49.7(15) . . . . ?
O2 C28 C29 C32 -172.5(11) . . . . ?

_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_a_sq
_database_code_depnum_ccdc_archive 'CCDC 2284344'
loop_
_audit_author_name
_audit_author_address
'Keke Wan'
;Jilin University
China
;
_audit_update_record             
;
2023-07-25 deposited with the CCDC.	2024-03-12 downloaded from the CCDC.
;
_audit_creation_date             2023-07-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C31 H33 F N2 O2 Pt'
_chemical_formula_sum            'C31 H33 F N2 O2 Pt'
_chemical_formula_weight         679.68
_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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   18.6880(7)
_cell_length_b                   12.8330(7)
_cell_length_c                   24.3979(10)
_cell_angle_alpha                90
_cell_angle_beta                 100.718(2)
_cell_angle_gamma                90
_cell_volume                     5749.1(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9709
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.71
_shelx_estimated_absorpt_T_max   0.908
_shelx_estimated_absorpt_T_min   0.791
_exptl_absorpt_coefficient_mu    4.917
_exptl_absorpt_correction_T_max  0.908
_exptl_absorpt_correction_T_min  0.791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2014'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2688
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0481
_diffrn_reflns_av_unetI/netI     0.0144
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            137733
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.508
_diffrn_reflns_theta_min         2.531
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'D8 VENTURE PHOTON II'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5851
_reflns_number_total             6612
_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       'Bruker D8 Venture'
_computing_data_collection       'Bruker D8 Venture'
_computing_data_reduction        'Bruker D8 Venture'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         0.150
_refine_diff_density_min         -0.022
_refine_diff_density_rms         0.003
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         6612
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0682
_refine_ls_restrained_S_all      1.041
_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)+(0.0747P)²+0.0399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1654
_refine_ls_wR_factor_ref         0.1765
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C11(H11), C13(H13), C14(H14),
 C17(H17), C18(H18), C19(H19), C20(H20), C22(H22)
2.c Idealised Me refined as rotating group:
 C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C27(H27A,H27B,H27C), C28(H28A,H28B,
 H28C), C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5344(5) 0.2992(9) 0.4018(4) 0.040(2) Uani 1 1 d . . . . .
H1A H 0.504812 0.309025 0.364052 0.048 Uiso 1 1 calc R U . . .
H1B H 0.502374 0.268599 0.425651 0.048 Uiso 1 1 calc R U . . .
C2 C 0.5953(5) 0.2234(8) 0.3981(4) 0.033(2) Uani 1 1 d . . . . .
C3 C 0.6683(5) 0.2473(9) 0.4154(4) 0.040(2) Uani 1 1 d . . . . .
H3 H 0.681780 0.313324 0.431745 0.048 Uiso 1 1 calc R U . . .
C4 C 0.7218(6) 0.1766(9) 0.4090(4) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.771567 0.194730 0.420638 0.049 Uiso 1 1 calc R U . . .
C5 C 0.7035(6) 0.0792(8) 0.3858(4) 0.042(2) Uani 1 1 d . . . . .
H5 H 0.740444 0.031151 0.380809 0.050 Uiso 1 1 calc R U . . .
C6 C 0.6303(7) 0.0531(9) 0.3701(6) 0.051(3) Uani 1 1 d . . . . .
H6 H 0.616849 -0.014295 0.355647 0.061 Uiso 1 1 calc R U . . .
C7 C 0.5772(6) 0.1251(9) 0.3754(5) 0.045(3) Uani 1 1 d . . . . .
H7 H 0.527352 0.107393 0.363383 0.054 Uiso 1 1 calc R U . . .
C8 C 0.5749(5) 0.4310(8) 0.4790(4) 0.032(2) Uani 1 1 d . . . . .
C9 C 0.5907(5) 0.5690(8) 0.4303(4) 0.034(2) Uani 1 1 d . . . . .
C10 C 0.5700(5) 0.4879(8) 0.3922(4) 0.036(2) Uani 1 1 d . . . . .
C11 C 0.5646(6) 0.5012(10) 0.3349(4) 0.044(3) Uani 1 1 d . . . . .
H11 H 0.549519 0.446667 0.308979 0.053 Uiso 1 1 calc R U . . .
C12 C 0.5826(6) 0.5982(10) 0.3187(4) 0.047(3) Uani 1 1 d . . . . .
C13 C 0.6026(6) 0.6833(11) 0.3544(4) 0.047(3) Uani 1 1 d . . . . .
H13 H 0.613332 0.749099 0.340118 0.057 Uiso 1 1 calc R U . . .
C14 C 0.6064(6) 0.6684(9) 0.4122(4) 0.039(2) Uani 1 1 d . . . . .
H14 H 0.619083 0.723945 0.437919 0.047 Uiso 1 1 calc R U . . .
C15 C 0.5776(5) 0.3730(8) 0.5315(4) 0.035(2) Uani 1 1 d . . . . .
C16 C 0.5978(5) 0.4391(7) 0.5774(4) 0.0313(19) Uani 1 1 d . . . . .
C17 C 0.6029(5) 0.3951(7) 0.6299(4) 0.034(2) Uani 1 1 d . . . . .
H17 H 0.616674 0.437591 0.662071 0.040 Uiso 1 1 calc R U . . .
C18 C 0.5882(6) 0.2895(8) 0.6365(4) 0.038(2) Uani 1 1 d . . . . .
H18 H 0.591629 0.261289 0.672891 0.045 Uiso 1 1 calc R U . . .
C19 C 0.5684(6) 0.2248(8) 0.5898(5) 0.042(2) Uani 1 1 d . . . . .
H19 H 0.558277 0.153062 0.594312 0.051 Uiso 1 1 calc R U . . .
C20 C 0.5638(5) 0.2668(8) 0.5370(4) 0.038(2) Uani 1 1 d . . . . .
H20 H 0.551308 0.224000 0.504834 0.046 Uiso 1 1 calc R U . . .
C21 C 0.6604(5) 0.8142(7) 0.5733(4) 0.0306(19) Uani 1 1 d . . . . .
C22 C 0.6776(5) 0.8011(7) 0.6308(4) 0.033(2) Uani 1 1 d . . . . .
H22 H 0.696817 0.860307 0.651967 0.040 Uiso 1 1 calc R U . . .
C23 C 0.6699(5) 0.7106(7) 0.6611(4) 0.0309(19) Uani 1 1 d . . . . .
C24 C 0.6877(6) 0.7116(8) 0.7260(4) 0.039(2) Uani 1 1 d . . . . .
C25 C 0.7295(12) 0.6132(13) 0.7464(6) 0.086(6) Uani 1 1 d . . . . .
H25A H 0.699217 0.552063 0.734232 0.129 Uiso 1 1 calc R U . . .
H25B H 0.741867 0.614129 0.787280 0.129 Uiso 1 1 calc R U . . .
H25C H 0.774243 0.609774 0.731035 0.129 Uiso 1 1 calc R U . . .
C26 C 0.6156(8) 0.7148(13) 0.7455(5) 0.061(4) Uani 1 1 d . . . . .
H26A H 0.593042 0.783326 0.737129 0.091 Uiso 1 1 calc R U . . .
H26B H 0.623626 0.702484 0.785808 0.091 Uiso 1 1 calc R U . . .
H26C H 0.583416 0.660726 0.726189 0.091 Uiso 1 1 calc R U . . .
C27 C 0.7347(7) 0.8059(11) 0.7494(5) 0.056(3) Uani 1 1 d . . . . .
H27A H 0.776121 0.812178 0.730238 0.085 Uiso 1 1 calc R U . . .
H27B H 0.752516 0.796060 0.789445 0.085 Uiso 1 1 calc R U . . .
H27C H 0.705188 0.869504 0.743443 0.085 Uiso 1 1 calc R U . . .
C28 C 0.5915(6) 0.9535(10) 0.5184(5) 0.049(3) Uani 1 1 d . . . . .
H28A H 0.573027 0.907554 0.486912 0.074 Uiso 1 1 calc R U . . .
H28B H 0.593142 1.025356 0.505071 0.074 Uiso 1 1 calc R U . . .
H28C H 0.559260 0.949827 0.545785 0.074 Uiso 1 1 calc R U . . .
C29 C 0.6685(5) 0.9189(8) 0.5459(4) 0.037(2) Uani 1 1 d . . . . .
C30 C 0.7024(6) 1.0033(8) 0.5874(5) 0.045(2) Uani 1 1 d . . . . .
H30A H 0.671959 1.013355 0.615612 0.067 Uiso 1 1 calc R U . . .
H30B H 0.705480 1.068899 0.567354 0.067 Uiso 1 1 calc R U . . .
H30C H 0.751318 0.981589 0.605560 0.067 Uiso 1 1 calc R U . . .
C31 C 0.7163(6) 0.9047(9) 0.5015(5) 0.046(3) Uani 1 1 d . . . . .
H31A H 0.763500 0.875366 0.518935 0.069 Uiso 1 1 calc R U . . .
H31B H 0.723840 0.972389 0.484875 0.069 Uiso 1 1 calc R U . . .
H31C H 0.692089 0.857246 0.472387 0.069 Uiso 1 1 calc R U . . .
F1 F 0.5780(9) 0.6215(12) 0.2635(5) 0.118(4) Uani 1 1 d . . . . .
N1 N 0.5924(4) 0.5312(6) 0.4834(3) 0.0310(17) Uani 1 1 d . . . . .
N2 N 0.5596(4) 0.4010(7) 0.4243(3) 0.0359(19) Uani 1 1 d . . . . .
O1 O 0.6359(3) 0.7393(5) 0.5383(2) 0.0311(15) Uani 1 1 d . . . . .
O2 O 0.6452(4) 0.6223(5) 0.6416(3) 0.0315(15) Uani 1 1 d . . . . .
Pt1 Pt 0.61890(2) 0.58625(3) 0.56113(2) 0.0292(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
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.514(13) . ?
C1 N2 1.460(13) . ?
C2 C3 1.386(13) . ?
C2 C7 1.394(14) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(14) . ?
C4 H4 0.9500 . ?
C4 C5 1.388(16) . ?
C5 H5 0.9500 . ?
C5 C6 1.393(17) . ?
C6 H6 0.9500 . ?
C6 C7 1.380(16) . ?
C7 H7 0.9500 . ?
C8 C15 1.474(14) . ?
C8 N1 1.327(13) . ?
C8 N2 1.366(12) . ?
C9 C10 1.400(14) . ?
C9 C14 1.398(15) . ?
C9 N1 1.380(12) . ?
C10 C11 1.393(14) . ?
C10 N2 1.398(14) . ?
C11 H11 0.9500 . ?
C11 C12 1.368(18) . ?
C12 C13 1.404(18) . ?
C12 F1 1.366(16) . ?
C13 H13 0.9500 . ?
C13 C14 1.411(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.400(14) . ?
C15 C20 1.398(15) . ?
C16 C17 1.387(13) . ?
C16 Pt1 1.984(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.398(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.403(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.385(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.390(13) . ?
C21 C29 1.520(13) . ?
C21 O1 1.311(11) . ?
C22 H22 0.9500 . ?
C22 C23 1.398(13) . ?
C23 C24 1.557(13) . ?
C23 O2 1.281(11) . ?
C24 C25 1.520(17) . ?
C24 C26 1.511(17) . ?
C24 C27 1.541(16) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C28 C29 1.535(14) . ?
C29 C30 1.536(15) . ?
C29 C31 1.539(15) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N1 Pt1 1.997(8) . ?
O1 Pt1 2.082(7) . ?
O2 Pt1 1.988(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
H1A C1 H1B 107.7 . . ?
C2 C1 H1A 108.8 . . ?
C2 C1 H1B 108.8 . . ?
N2 C1 H1A 108.8 . . ?
N2 C1 H1B 108.8 . . ?
N2 C1 C2 113.8(8) . . ?
C3 C2 C1 123.3(9) . . ?
C3 C2 C7 118.3(9) . . ?
C7 C2 C1 118.4(9) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(10) . . ?
C4 C3 H3 119.6 . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.7(10) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 H5 120.6 . . ?
C4 C5 C6 118.9(10) . . ?
C6 C5 H5 120.6 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(11) . . ?
C7 C6 H6 120.0 . . ?
C2 C7 H7 119.4 . . ?
C6 C7 C2 121.1(10) . . ?
C6 C7 H7 119.4 . . ?
N1 C8 C15 116.7(8) . . ?
N1 C8 N2 110.9(9) . . ?
N2 C8 C15 132.3(9) . . ?
C14 C9 C10 121.1(9) . . ?
N1 C9 C10 108.5(9) . . ?
N1 C9 C14 130.3(9) . . ?
C11 C10 C9 122.3(10) . . ?
C11 C10 N2 131.9(10) . . ?
N2 C10 C9 105.7(8) . . ?
C10 C11 H11 122.4 . . ?
C12 C11 C10 115.2(10) . . ?
C12 C11 H11 122.4 . . ?
C11 C12 C13 125.4(10) . . ?
F1 C12 C11 120.8(12) . . ?
F1 C12 C13 113.7(12) . . ?
C12 C13 H13 120.9 . . ?
C12 C13 C14 118.3(12) . . ?
C14 C13 H13 120.9 . . ?
C9 C14 C13 117.6(10) . . ?
C9 C14 H14 121.2 . . ?
C13 C14 H14 121.2 . . ?
C16 C15 C8 110.5(9) . . ?
C20 C15 C8 126.8(9) . . ?
C20 C15 C16 122.7(9) . . ?
C15 C16 Pt1 116.8(7) . . ?
C17 C16 C15 117.1(9) . . ?
C17 C16 Pt1 126.1(7) . . ?
C16 C17 H17 119.4 . . ?
C16 C17 C18 121.2(9) . . ?
C18 C17 H17 119.4 . . ?
C17 C18 H18 119.7 . . ?
C17 C18 C19 120.6(10) . . ?
C19 C18 H18 119.7 . . ?
C18 C19 H19 120.4 . . ?
C20 C19 C18 119.1(10) . . ?
C20 C19 H19 120.4 . . ?
C15 C20 H20 120.4 . . ?
C19 C20 C15 119.2(9) . . ?
C19 C20 H20 120.4 . . ?
C22 C21 C29 121.8(8) . . ?
O1 C21 C22 123.8(9) . . ?
O1 C21 C29 114.4(8) . . ?
C21 C22 H22 116.4 . . ?
C21 C22 C23 127.3(9) . . ?
C23 C22 H22 116.4 . . ?
C22 C23 C24 120.4(8) . . ?
O2 C23 C22 127.2(9) . . ?
O2 C23 C24 112.3(8) . . ?
C25 C24 C23 109.1(9) . . ?
C25 C24 C27 108.0(11) . . ?
C26 C24 C23 106.6(9) . . ?
C26 C24 C25 110.6(13) . . ?
C26 C24 C27 110.0(10) . . ?
C27 C24 C23 112.6(8) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C29 C28 H28A 109.5 . . ?
C29 C28 H28B 109.5 . . ?
C29 C28 H28C 109.5 . . ?
C21 C29 C28 106.7(8) . . ?
C21 C29 C30 113.3(8) . . ?
C21 C29 C31 108.8(8) . . ?
C28 C29 C30 108.7(9) . . ?
C28 C29 C31 110.3(9) . . ?
C30 C29 C31 108.9(9) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C8 N1 C9 107.5(8) . . ?
C8 N1 Pt1 115.8(6) . . ?
C9 N1 Pt1 136.6(7) . . ?
C8 N2 C1 127.9(9) . . ?
C8 N2 C10 107.3(8) . . ?
C10 N2 C1 124.8(8) . . ?
C21 O1 Pt1 124.7(6) . . ?
C23 O2 Pt1 125.3(6) . . ?
C16 Pt1 N1 80.2(4) . . ?
C16 Pt1 O1 175.7(3) . . ?
C16 Pt1 O2 92.6(3) . . ?
N1 Pt1 O1 95.9(3) . . ?
O2 Pt1 N1 172.7(3) . . ?
O2 Pt1 O1 91.3(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 C2 C3 C4 -177.4(10) . . . . ?
C1 C2 C7 C6 178.9(11) . . . . ?
C2 C1 N2 C8 -87.5(12) . . . . ?
C2 C1 N2 C10 95.0(11) . . . . ?
C2 C3 C4 C5 -0.8(16) . . . . ?
C3 C2 C7 C6 0.0(17) . . . . ?
C3 C4 C5 C6 -1.3(17) . . . . ?
C4 C5 C6 C7 2.7(18) . . . . ?
C5 C6 C7 C2 -2.1(19) . . . . ?
C7 C2 C3 C4 1.4(16) . . . . ?
C8 C15 C16 C17 -179.8(8) . . . . ?
C8 C15 C16 Pt1 -1.4(10) . . . . ?
C8 C15 C20 C19 -179.6(9) . . . . ?
C9 C10 C11 C12 1.4(14) . . . . ?
C9 C10 N2 C1 177.1(8) . . . . ?
C9 C10 N2 C8 -0.8(10) . . . . ?
C10 C9 C14 C13 -1.8(14) . . . . ?
C10 C9 N1 C8 1.0(10) . . . . ?
C10 C9 N1 Pt1 176.9(7) . . . . ?
C10 C11 C12 C13 -2.6(16) . . . . ?
C10 C11 C12 F1 -178.6(11) . . . . ?
C11 C10 N2 C1 -4.4(16) . . . . ?
C11 C10 N2 C8 177.7(10) . . . . ?
C11 C12 C13 C14 1.5(17) . . . . ?
C12 C13 C14 C9 0.8(14) . . . . ?
C14 C9 C10 C11 0.7(14) . . . . ?
C14 C9 C10 N2 179.3(8) . . . . ?
C14 C9 N1 C8 -178.4(9) . . . . ?
C14 C9 N1 Pt1 -2.4(15) . . . . ?
C15 C8 N1 C9 176.4(7) . . . . ?
C15 C8 N1 Pt1 -0.5(10) . . . . ?
C15 C8 N2 C1 6.1(16) . . . . ?
C15 C8 N2 C10 -176.1(9) . . . . ?
C15 C16 C17 C18 -0.3(14) . . . . ?
C16 C15 C20 C19 1.4(14) . . . . ?
C16 C17 C18 C19 0.6(15) . . . . ?
C17 C18 C19 C20 0.2(15) . . . . ?
C18 C19 C20 C15 -1.1(15) . . . . ?
C20 C15 C16 C17 -0.7(14) . . . . ?
C20 C15 C16 Pt1 177.7(7) . . . . ?
C21 C22 C23 C24 -176.4(9) . . . . ?
C21 C22 C23 O2 -0.3(16) . . . . ?
C22 C21 C29 C28 -115.2(10) . . . . ?
C22 C21 C29 C30 4.4(13) . . . . ?
C22 C21 C29 C31 125.8(10) . . . . ?
C22 C21 O1 Pt1 -0.7(12) . . . . ?
C22 C23 C24 C25 -137.6(13) . . . . ?
C22 C23 C24 C26 102.9(11) . . . . ?
C22 C23 C24 C27 -17.7(14) . . . . ?
C22 C23 O2 Pt1 5.9(13) . . . . ?
C24 C23 O2 Pt1 -177.8(6) . . . . ?
C29 C21 C22 C23 177.2(9) . . . . ?
C29 C21 O1 Pt1 179.6(5) . . . . ?
F1 C12 C13 C14 177.8(11) . . . . ?
N1 C8 C15 C16 1.2(11) . . . . ?
N1 C8 C15 C20 -177.9(9) . . . . ?
N1 C8 N2 C1 -176.3(8) . . . . ?
N1 C8 N2 C10 1.5(10) . . . . ?
N1 C9 C10 C11 -178.8(9) . . . . ?
N1 C9 C10 N2 -0.1(10) . . . . ?
N1 C9 C14 C13 177.5(9) . . . . ?
N2 C1 C2 C3 1.0(15) . . . . ?
N2 C1 C2 C7 -177.8(9) . . . . ?
N2 C8 C15 C16 178.7(9) . . . . ?
N2 C8 C15 C20 -0.4(16) . . . . ?
N2 C8 N1 C9 -1.6(10) . . . . ?
N2 C8 N1 Pt1 -178.4(6) . . . . ?
N2 C10 C11 C12 -176.8(10) . . . . ?
O1 C21 C22 C23 -2.5(15) . . . . ?
O1 C21 C29 C28 64.5(11) . . . . ?
O1 C21 C29 C30 -175.9(8) . . . . ?
O1 C21 C29 C31 -54.5(10) . . . . ?
O2 C23 C24 C25 45.8(14) . . . . ?
O2 C23 C24 C26 -73.7(11) . . . . ?
O2 C23 C24 C27 165.7(9) . . . . ?
Pt1 C16 C17 C18 -178.5(7) . . . . ?

_platon_squeeze_details          ?
_platon_squeeze_special_details  
;
A solvent mask was calculated and 164 electrons were 
found in a volume of 432Å³ in 1 void per unit cell. 
This is consistent with the presence of 
2[H2O] per Formula Unit 
which account for 160 electrons 
per unit cell.
;
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.054 0.250 108 41 '4 H2O'
2 0.500 0.053 0.750 108 41 '4 H2O'
3 0.000 0.446 0.250 108 41 '4 H2O'
4 0.000 0.553 0.750 108 41 '4 H2O'

_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
