# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_pttd2tbuncbf4_2_0m
_database_code_depnum_ccdc_archive 'CCDC 2182027'
loop_
_audit_author_name
_audit_author_address
'Clayton Curtis'
;The University of Arizona
United States of America
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-04-20 downloaded from the CCDC.
;
_audit_creation_date             2022-06-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H37 N4 O2 Pt, B F4'
_chemical_formula_sum            'C29 H37 B F4 N4 O2 Pt'
_chemical_formula_weight         755.52
_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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   13.0550(4)
_cell_length_b                   9.2569(3)
_cell_length_c                   24.1295(7)
_cell_angle_alpha                90
_cell_angle_beta                 95.9540(10)
_cell_angle_gamma                90
_cell_volume                     2900.29(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9019
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.70
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.898
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0844 before and 0.0377 after correction.
The Ratio of minimum to maximum transmission is 0.7077.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.285
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.089
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33463
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.401
_diffrn_reflns_theta_min         1.697
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_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_source_current           30.0
_diffrn_source_power             1.26
_diffrn_source_voltage           42.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5621
_reflns_number_total             5947
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.308
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5947
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0218
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²+5.4715P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0498
_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:
 C20(H20A,H20B), C18(H18A,H18B), C23(H23A,H23B), C15(H15A,H15B)
2.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C10(H10)
2.c Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C24(H24A,H24B,H24C), C17(H17A,H17B,H17C), C22(H22A,H22B,
 H22C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C21(H21A,H21B,H21C), C27(H27A,
 H27B,H27C), C28(H28A,H28B,H28C)
;
_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 0.58228(2) 0.33104(2) 0.47259(2) 0.01326(4) Uani 1 1 d . . . . .
F2 F 0.36836(13) 0.2459(2) 0.25591(8) 0.0268(4) Uani 1 1 d . . . . .
F3 F 0.47028(15) 0.0461(2) 0.25474(9) 0.0356(5) Uani 1 1 d . . . . .
F1 F 0.46789(16) 0.1759(2) 0.33415(8) 0.0322(5) Uani 1 1 d . . . . .
F4 F 0.54248(15) 0.2685(3) 0.26082(10) 0.0422(6) Uani 1 1 d . . . . .
O1 O 0.59103(15) 0.6036(2) 0.37966(9) 0.0206(4) Uani 1 1 d . . . . .
N2 N 0.46145(17) 0.2350(3) 0.50422(9) 0.0131(5) Uani 1 1 d . . . . .
O2 O 0.83291(16) 0.3583(3) 0.52145(10) 0.0267(5) Uani 1 1 d . . . . .
N3 N 0.67663(17) 0.2425(3) 0.53425(10) 0.0150(5) Uani 1 1 d . . . . .
N1 N 0.48501(17) 0.4295(2) 0.41528(9) 0.0132(5) Uani 1 1 d . . . . .
N4 N 0.75710(19) 0.3989(3) 0.39972(11) 0.0212(5) Uani 1 1 d . . . . .
C12 C 0.7442(2) 0.1148(3) 0.61323(12) 0.0161(6) Uani 1 1 d . . . . .
C6 C 0.3607(2) 0.2388(3) 0.48081(12) 0.0139(5) Uani 1 1 d . . . . .
C29 C 0.9370(2) 0.3975(3) 0.38503(12) 0.0182(6) Uani 1 1 d . . . . .
H29A H 0.949778 0.471308 0.414059 0.027 Uiso 1 1 calc R U . . .
H29B H 0.986471 0.409111 0.357471 0.027 Uiso 1 1 calc R U . . .
H29C H 0.944836 0.301361 0.401911 0.027 Uiso 1 1 calc R U . . .
C9 C 0.4650(2) 0.1399(3) 0.54770(12) 0.0135(5) Uani 1 1 d . . . . .
C7 C 0.2973(2) 0.1461(3) 0.51241(12) 0.0158(6) Uani 1 1 d . . . . .
C4 C 0.3842(2) 0.4051(3) 0.40361(11) 0.0144(5) Uani 1 1 d . . . . .
C5 C 0.3250(2) 0.3143(3) 0.43376(12) 0.0159(6) Uani 1 1 d . . . . .
H5 H 0.254262 0.303838 0.420642 0.019 Uiso 1 1 calc R U . . .
C20 C 0.3348(2) -0.0129(3) 0.59974(12) 0.0175(6) Uani 1 1 d . . . . .
H20A H 0.388947 -0.087912 0.605688 0.021 Uiso 1 1 calc R U . . .
H20B H 0.268862 -0.062231 0.587954 0.021 Uiso 1 1 calc R U . . .
C14 C 0.7853(2) 0.2741(3) 0.54709(12) 0.0175(6) Uani 1 1 d . . . . .
C11 C 0.6518(2) 0.1507(3) 0.57392(12) 0.0145(6) Uani 1 1 d . . . . .
C8 C 0.3605(2) 0.0861(3) 0.55402(12) 0.0149(6) Uani 1 1 d . . . . .
C2 C 0.4150(2) 0.5742(3) 0.33857(12) 0.0166(6) Uani 1 1 d . . . . .
C13 C 0.8241(2) 0.1886(3) 0.59731(12) 0.0167(6) Uani 1 1 d . . . . .
C3 C 0.3393(2) 0.4907(3) 0.35482(12) 0.0166(6) Uani 1 1 d . . . . .
C10 C 0.5539(2) 0.0978(3) 0.58014(12) 0.0151(6) Uani 1 1 d . . . . .
H10 H 0.547505 0.028255 0.608513 0.018 Uiso 1 1 calc R U . . .
C24 C 0.9956(2) 0.0604(4) 0.60946(13) 0.0232(7) Uani 1 1 d . . . . .
H24A H 0.995665 0.049393 0.569070 0.035 Uiso 1 1 calc R U . . .
H24B H 0.963841 -0.024803 0.624688 0.035 Uiso 1 1 calc R U . . .
H24C H 1.066611 0.070123 0.626698 0.035 Uiso 1 1 calc R U . . .
C18 C 0.1829(2) 0.1308(3) 0.49871(13) 0.0187(6) Uani 1 1 d . . . . .
H18A H 0.158911 0.045888 0.518728 0.022 Uiso 1 1 calc R U . . .
H18B H 0.167755 0.112593 0.458263 0.022 Uiso 1 1 calc R U . . .
C17 C 0.2299(2) 0.4773(3) 0.33092(12) 0.0208(6) Uani 1 1 d . . . . .
H17A H 0.218394 0.381126 0.314463 0.031 Uiso 1 1 calc R U . . .
H17B H 0.214597 0.550996 0.302098 0.031 Uiso 1 1 calc R U . . .
H17C H 0.184697 0.490907 0.360490 0.031 Uiso 1 1 calc R U . . .
C22 C 0.7419(2) 0.0158(3) 0.66199(12) 0.0216(6) Uani 1 1 d . . . . .
H22A H 0.684979 0.043088 0.683304 0.032 Uiso 1 1 calc R U . . .
H22B H 0.807147 0.023145 0.685882 0.032 Uiso 1 1 calc R U . . .
H22C H 0.732118 -0.083856 0.648754 0.032 Uiso 1 1 calc R U . . .
C25 C 0.6963(2) 0.3881(3) 0.43099(13) 0.0194(6) Uani 1 1 d . . . . .
C26 C 0.8277(2) 0.4144(4) 0.35647(13) 0.0225(7) Uani 1 1 d . . . . .
C23 C 0.9345(2) 0.1949(3) 0.62180(13) 0.0203(6) Uani 1 1 d . . . . .
H23A H 0.936734 0.207012 0.662670 0.024 Uiso 1 1 calc R U . . .
H23B H 0.967596 0.280536 0.606761 0.024 Uiso 1 1 calc R U . . .
C15 C 0.4151(2) 0.6784(3) 0.29129(13) 0.0209(6) Uani 1 1 d . . . . .
H15A H 0.439255 0.773771 0.305927 0.025 Uiso 1 1 calc R U . . .
H15B H 0.343873 0.690206 0.273376 0.025 Uiso 1 1 calc R U . . .
C1 C 0.5093(2) 0.5429(3) 0.37706(11) 0.0149(6) Uani 1 1 d . . . . .
C16 C 0.4842(3) 0.6279(4) 0.24786(13) 0.0263(7) Uani 1 1 d . . . . .
H16A H 0.478015 0.695083 0.216288 0.039 Uiso 1 1 calc R U . . .
H16B H 0.463002 0.531112 0.234847 0.039 Uiso 1 1 calc R U . . .
H16C H 0.555856 0.625199 0.264536 0.039 Uiso 1 1 calc R U . . .
C19 C 0.1229(2) 0.2642(4) 0.51431(14) 0.0241(7) Uani 1 1 d . . . . .
H19A H 0.145860 0.348691 0.494480 0.036 Uiso 1 1 calc R U . . .
H19B H 0.135192 0.280629 0.554577 0.036 Uiso 1 1 calc R U . . .
H19C H 0.049126 0.248772 0.503873 0.036 Uiso 1 1 calc R U . . .
C21 C 0.3258(2) 0.0654(4) 0.65480(13) 0.0235(7) Uani 1 1 d . . . . .
H21A H 0.268645 0.134455 0.650002 0.035 Uiso 1 1 calc R U . . .
H21B H 0.390048 0.117164 0.666131 0.035 Uiso 1 1 calc R U . . .
H21C H 0.312872 -0.005131 0.683543 0.035 Uiso 1 1 calc R U . . .
C27 C 0.7984(3) 0.2987(4) 0.31281(15) 0.0327(8) Uani 1 1 d . . . . .
H27A H 0.804352 0.203147 0.330353 0.049 Uiso 1 1 calc R U . . .
H27B H 0.844809 0.304299 0.283442 0.049 Uiso 1 1 calc R U . . .
H27C H 0.727341 0.314139 0.296565 0.049 Uiso 1 1 calc R U . . .
C28 C 0.8114(3) 0.5641(4) 0.33035(14) 0.0288(7) Uani 1 1 d . . . . .
H28A H 0.740672 0.571981 0.312552 0.043 Uiso 1 1 calc R U . . .
H28B H 0.859787 0.578236 0.302373 0.043 Uiso 1 1 calc R U . . .
H28C H 0.823304 0.637991 0.359382 0.043 Uiso 1 1 calc R U . . .
B1 B 0.4629(3) 0.1849(4) 0.27641(15) 0.0204(7) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N2 2.027(2) . ?
Pt1 N3 2.006(2) . ?
Pt1 N1 1.998(2) . ?
Pt1 C25 1.952(3) . ?
F2 B1 1.400(4) . ?
F3 B1 1.394(4) . ?
F1 B1 1.390(4) . ?
F4 B1 1.378(4) . ?
O1 C1 1.202(3) . ?
N2 C6 1.377(4) . ?
N2 C9 1.367(4) . ?
O2 C14 1.207(4) . ?
N3 C14 1.450(4) . ?
N3 C11 1.345(4) . ?
N1 C4 1.336(4) . ?
N1 C1 1.454(4) . ?
N4 C25 1.155(4) . ?
N4 C26 1.470(4) . ?
C12 C11 1.493(4) . ?
C12 C13 1.336(4) . ?
C12 C22 1.494(4) . ?
C6 C7 1.461(4) . ?
C6 C5 1.373(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C26 1.526(4) . ?
C9 C8 1.474(4) . ?
C9 C10 1.387(4) . ?
C7 C8 1.351(4) . ?
C7 C18 1.503(4) . ?
C4 C5 1.396(4) . ?
C4 C3 1.488(4) . ?
C5 H5 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C8 1.499(4) . ?
C20 C21 1.529(4) . ?
C14 C13 1.491(4) . ?
C11 C10 1.391(4) . ?
C2 C3 1.344(4) . ?
C2 C15 1.494(4) . ?
C2 C1 1.491(4) . ?
C13 C23 1.501(4) . ?
C3 C17 1.489(4) . ?
C10 H10 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C23 1.525(4) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.530(4) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C26 C27 1.523(5) . ?
C26 C28 1.527(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.525(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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 . ?

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
N3 Pt1 N2 89.06(9) . . ?
N1 Pt1 N2 89.83(9) . . ?
N1 Pt1 N3 175.80(9) . . ?
C25 Pt1 N2 167.55(11) . . ?
C25 Pt1 N3 92.85(11) . . ?
C25 Pt1 N1 89.10(11) . . ?
C6 N2 Pt1 125.57(19) . . ?
C9 N2 Pt1 127.29(18) . . ?
C9 N2 C6 106.6(2) . . ?
C14 N3 Pt1 126.02(19) . . ?
C11 N3 Pt1 127.71(19) . . ?
C11 N3 C14 106.1(2) . . ?
C4 N1 Pt1 127.61(19) . . ?
C4 N1 C1 105.2(2) . . ?
C1 N1 Pt1 127.15(18) . . ?
C25 N4 C26 175.5(3) . . ?
C11 C12 C22 123.8(3) . . ?
C13 C12 C11 107.8(3) . . ?
C13 C12 C22 128.4(3) . . ?
N2 C6 C7 109.9(2) . . ?
C5 C6 N2 125.5(3) . . ?
C5 C6 C7 124.6(3) . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
N2 C9 C8 109.8(2) . . ?
N2 C9 C10 125.0(2) . . ?
C10 C9 C8 125.2(3) . . ?
C6 C7 C18 123.0(3) . . ?
C8 C7 C6 107.1(2) . . ?
C8 C7 C18 129.9(3) . . ?
N1 C4 C5 125.3(3) . . ?
N1 C4 C3 112.0(2) . . ?
C5 C4 C3 122.7(2) . . ?
C6 C5 C4 125.4(3) . . ?
C6 C5 H5 117.3 . . ?
C4 C5 H5 117.3 . . ?
H20A C20 H20B 107.8 . . ?
C8 C20 H20A 109.0 . . ?
C8 C20 H20B 109.0 . . ?
C8 C20 C21 113.1(2) . . ?
C21 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
O2 C14 N3 124.4(3) . . ?
O2 C14 C13 127.6(3) . . ?
N3 C14 C13 108.0(2) . . ?
N3 C11 C12 110.8(2) . . ?
N3 C11 C10 126.2(3) . . ?
C10 C11 C12 123.0(3) . . ?
C9 C8 C20 124.2(2) . . ?
C7 C8 C9 106.5(2) . . ?
C7 C8 C20 129.2(3) . . ?
C3 C2 C15 130.8(3) . . ?
C3 C2 C1 106.9(2) . . ?
C1 C2 C15 122.3(3) . . ?
C12 C13 C14 107.2(2) . . ?
C12 C13 C23 130.7(3) . . ?
C14 C13 C23 122.0(3) . . ?
C4 C3 C17 123.0(3) . . ?
C2 C3 C4 107.2(2) . . ?
C2 C3 C17 129.8(3) . . ?
C9 C10 C11 124.4(3) . . ?
C9 C10 H10 117.8 . . ?
C11 C10 H10 117.8 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
C7 C18 H18A 109.0 . . ?
C7 C18 H18B 109.0 . . ?
C7 C18 C19 113.1(2) . . ?
H18A C18 H18B 107.8 . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C3 C17 H17A 109.5 . . ?
C3 C17 H17B 109.5 . . ?
C3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C12 C22 H22A 109.5 . . ?
C12 C22 H22B 109.5 . . ?
C12 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C25 Pt1 166.3(3) . . ?
N4 C26 C29 107.2(2) . . ?
N4 C26 C27 106.9(3) . . ?
N4 C26 C28 108.1(3) . . ?
C29 C26 C28 111.3(3) . . ?
C27 C26 C29 113.3(3) . . ?
C27 C26 C28 109.8(3) . . ?
C13 C23 C24 113.1(2) . . ?
C13 C23 H23A 109.0 . . ?
C13 C23 H23B 109.0 . . ?
C24 C23 H23A 109.0 . . ?
C24 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C2 C15 H15A 109.2 . . ?
C2 C15 H15B 109.2 . . ?
C2 C15 C16 112.0(3) . . ?
H15A C15 H15B 107.9 . . ?
C16 C15 H15A 109.2 . . ?
C16 C15 H15B 109.2 . . ?
O1 C1 N1 123.7(3) . . ?
O1 C1 C2 127.8(3) . . ?
N1 C1 C2 108.4(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
F3 B1 F2 109.4(3) . . ?
F1 B1 F2 109.0(3) . . ?
F1 B1 F3 108.8(3) . . ?
F4 B1 F2 109.8(3) . . ?
F4 B1 F3 109.4(3) . . ?
F4 B1 F1 110.4(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
Pt1 N2 C6 C7 174.54(18) . . . . ?
Pt1 N2 C6 C5 -3.5(4) . . . . ?
Pt1 N2 C9 C8 -175.01(18) . . . . ?
Pt1 N2 C9 C10 3.6(4) . . . . ?
Pt1 N3 C14 O2 -0.5(4) . . . . ?
Pt1 N3 C14 C13 177.81(18) . . . . ?
Pt1 N3 C11 C12 -177.82(18) . . . . ?
Pt1 N3 C11 C10 0.0(4) . . . . ?
Pt1 N1 C4 C5 6.9(4) . . . . ?
Pt1 N1 C4 C3 -174.99(18) . . . . ?
Pt1 N1 C1 O1 -8.7(4) . . . . ?
Pt1 N1 C1 C2 175.00(18) . . . . ?
N2 C6 C7 C8 -0.7(3) . . . . ?
N2 C6 C7 C18 177.8(3) . . . . ?
N2 C6 C5 C4 -3.4(5) . . . . ?
N2 C9 C8 C7 2.6(3) . . . . ?
N2 C9 C8 C20 -176.1(3) . . . . ?
N2 C9 C10 C11 2.2(5) . . . . ?
O2 C14 C13 C12 177.3(3) . . . . ?
O2 C14 C13 C23 -2.2(5) . . . . ?
N3 C14 C13 C12 -1.0(3) . . . . ?
N3 C14 C13 C23 179.5(3) . . . . ?
N3 C11 C10 C9 -4.2(5) . . . . ?
N1 C4 C5 C6 1.7(5) . . . . ?
N1 C4 C3 C2 -3.0(3) . . . . ?
N1 C4 C3 C17 176.2(3) . . . . ?
C12 C11 C10 C9 173.4(3) . . . . ?
C12 C13 C23 C24 75.2(4) . . . . ?
C6 N2 C9 C8 -3.0(3) . . . . ?
C6 N2 C9 C10 175.6(3) . . . . ?
C6 C7 C8 C9 -1.0(3) . . . . ?
C6 C7 C8 C20 177.5(3) . . . . ?
C6 C7 C18 C19 -72.9(4) . . . . ?
C9 N2 C6 C7 2.3(3) . . . . ?
C9 N2 C6 C5 -175.7(3) . . . . ?
C7 C6 C5 C4 178.9(3) . . . . ?
C4 N1 C1 O1 171.6(3) . . . . ?
C4 N1 C1 C2 -4.8(3) . . . . ?
C5 C6 C7 C8 177.3(3) . . . . ?
C5 C6 C7 C18 -4.2(4) . . . . ?
C5 C4 C3 C2 175.2(3) . . . . ?
C5 C4 C3 C17 -5.6(4) . . . . ?
C14 N3 C11 C12 -1.9(3) . . . . ?
C14 N3 C11 C10 176.0(3) . . . . ?
C14 C13 C23 C24 -105.4(3) . . . . ?
C11 N3 C14 O2 -176.6(3) . . . . ?
C11 N3 C14 C13 1.8(3) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C11 C12 C13 C23 179.3(3) . . . . ?
C8 C9 C10 C11 -179.4(3) . . . . ?
C8 C7 C18 C19 105.3(4) . . . . ?
C13 C12 C11 N3 1.3(3) . . . . ?
C13 C12 C11 C10 -176.6(3) . . . . ?
C3 C4 C5 C6 -176.2(3) . . . . ?
C3 C2 C15 C16 -113.9(4) . . . . ?
C3 C2 C1 O1 -173.1(3) . . . . ?
C3 C2 C1 N1 3.0(3) . . . . ?
C10 C9 C8 C7 -176.0(3) . . . . ?
C10 C9 C8 C20 5.3(4) . . . . ?
C18 C7 C8 C9 -179.4(3) . . . . ?
C18 C7 C8 C20 -0.9(5) . . . . ?
C22 C12 C11 N3 179.8(3) . . . . ?
C22 C12 C11 C10 1.9(4) . . . . ?
C22 C12 C13 C14 -178.5(3) . . . . ?
C22 C12 C13 C23 0.9(5) . . . . ?
C15 C2 C3 C4 178.2(3) . . . . ?
C15 C2 C3 C17 -1.0(5) . . . . ?
C15 C2 C1 O1 8.3(5) . . . . ?
C15 C2 C1 N1 -175.6(2) . . . . ?
C1 N1 C4 C5 -173.4(3) . . . . ?
C1 N1 C4 C3 4.8(3) . . . . ?
C1 C2 C3 C4 -0.2(3) . . . . ?
C1 C2 C3 C17 -179.4(3) . . . . ?
C1 C2 C15 C16 64.3(4) . . . . ?
C21 C20 C8 C9 79.7(3) . . . . ?
C21 C20 C8 C7 -98.6(4) . . . . ?

_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_mo_pttd2h2o_0m
_database_code_depnum_ccdc_archive 'CCDC 2182028'
loop_
_audit_author_name
_audit_author_address
'Clayton Curtis'
;The University of Arizona
United States of America
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-04-20 downloaded from the CCDC.
;
_audit_creation_date             2022-06-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 N3 O3 Pt'
_chemical_formula_sum            'C24 H30 N3 O3 Pt'
_chemical_formula_weight         603.60
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.982(2)
_cell_length_b                   14.662(4)
_cell_length_c                   14.409(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.249(8)
_cell_angle_gamma                90
_cell_volume                     2162.4(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9303
_cell_measurement_temperature    101.38
_cell_measurement_theta_max      26.82
_cell_measurement_theta_min      2.43
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.521
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5261
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0996 before and 0.0542 after correction. The Ratio of minimum to maximum transmission is 0.7058. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.854
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.367
_exptl_crystal_size_mid          0.123
_exptl_crystal_size_min          0.085
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0344
_diffrn_reflns_Laue_measured_fraction_full 1.000
_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       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            25443
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.857
_diffrn_reflns_theta_min         2.018
_diffrn_ambient_temperature      101.38
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_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_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4061
_reflns_number_total             4645
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.209
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     294
_refine_ls_number_reflns         4645
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0217
_refine_ls_restrained_S_all      1.024
_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)+(0.0251P)²+0.9479P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0531
_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:
 C20(H20A,H20B), C15(H15A,H15B), C18(H18A,H18B), C23(H23A,H23B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C5(H5)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C17(H17A,H17B,
 H17C), C24(H24A,H24B,H24C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   mixed
_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 0.30495(2) 0.52793(2) 0.37112(2) 0.01044(5) Uani 1 1 d . . . . .
O3 O 0.1121(2) 0.54112(17) 0.3502(2) 0.0182(5) Uani 1 1 d . . . . .
O1 O 0.1188(2) 0.71016(16) 0.37703(19) 0.0187(5) Uani 1 1 d . . . . .
N1 N 0.3165(2) 0.66364(19) 0.3659(2) 0.0122(6) Uani 1 1 d . . . . .
O2 O 0.0823(2) 0.38027(15) 0.39756(19) 0.0174(5) Uani 1 1 d . . . . .
N3 N 0.2877(3) 0.39295(18) 0.3845(2) 0.0125(6) Uani 1 1 d . . . . .
N2 N 0.4855(3) 0.51403(18) 0.3756(2) 0.0127(6) Uani 1 1 d . . . . .
C14 C 0.1830(3) 0.3454(2) 0.3921(2) 0.0136(7) Uani 1 1 d . . . . .
C3 C 0.3959(3) 0.8108(2) 0.3626(2) 0.0146(7) Uani 1 1 d . . . . .
C4 C 0.4232(3) 0.7127(2) 0.3646(3) 0.0146(7) Uani 1 1 d . . . . .
C10 C 0.4994(3) 0.3471(2) 0.3824(2) 0.0131(7) Uani 1 1 d . . . . .
H10 H 0.554221 0.296463 0.384229 0.016 Uiso 1 1 calc R U . . .
C7 C 0.6880(3) 0.5435(2) 0.3684(3) 0.0157(7) Uani 1 1 d . . . . .
C2 C 0.2768(3) 0.8202(2) 0.3681(2) 0.0150(7) Uani 1 1 d . . . . .
C13 C 0.2072(3) 0.2466(2) 0.3918(2) 0.0143(7) Uani 1 1 d . . . . .
C9 C 0.5508(3) 0.4339(2) 0.3791(2) 0.0137(7) Uani 1 1 d . . . . .
C6 C 0.5676(3) 0.5826(2) 0.3698(2) 0.0128(6) Uani 1 1 d . . . . .
C1 C 0.2265(3) 0.7276(2) 0.3711(2) 0.0147(7) Uani 1 1 d . . . . .
C11 C 0.3779(3) 0.3282(2) 0.3832(2) 0.0115(6) Uani 1 1 d . . . . .
C12 C 0.3261(3) 0.2365(2) 0.3862(2) 0.0139(7) Uani 1 1 d . . . . .
C20 C 0.7746(3) 0.3804(2) 0.3762(3) 0.0182(7) Uani 1 1 d . . . . .
H20A H 0.775711 0.332542 0.424957 0.022 Uiso 1 1 calc R U . . .
H20B H 0.862702 0.408162 0.398005 0.022 Uiso 1 1 calc R U . . .
C22 C 0.3979(3) 0.1515(2) 0.3807(3) 0.0162(7) Uani 1 1 d . . . . .
H22A H 0.347370 0.098254 0.386799 0.024 Uiso 1 1 calc R U . . .
H22B H 0.483313 0.151136 0.435027 0.024 Uiso 1 1 calc R U . . .
H22C H 0.410153 0.149287 0.316678 0.024 Uiso 1 1 calc R U . . .
C15 C 0.2010(3) 0.9026(2) 0.3748(3) 0.0172(7) Uani 1 1 d . . . . .
H15A H 0.106406 0.889807 0.342466 0.021 Uiso 1 1 calc R U . . .
H15B H 0.222813 0.953676 0.338625 0.021 Uiso 1 1 calc R U . . .
C18 C 0.7993(3) 0.5960(2) 0.3572(3) 0.0173(7) Uani 1 1 d . . . . .
H18A H 0.882877 0.569605 0.401995 0.021 Uiso 1 1 calc R U . . .
H18B H 0.795285 0.660047 0.377636 0.021 Uiso 1 1 calc R U . . .
C8 C 0.6777(3) 0.4518(2) 0.3755(3) 0.0152(7) Uani 1 1 d . . . . .
C16 C 0.2308(4) 0.9304(2) 0.4827(3) 0.0229(8) Uani 1 1 d . . . . .
H16A H 0.172826 0.980425 0.485047 0.034 Uiso 1 1 calc R U . . .
H16B H 0.321889 0.950449 0.512367 0.034 Uiso 1 1 calc R U . . .
H16C H 0.216821 0.878124 0.520067 0.034 Uiso 1 1 calc R U . . .
C5 C 0.5379(3) 0.6751(2) 0.3650(2) 0.0139(7) Uani 1 1 d . . . . .
H5 H 0.603040 0.716200 0.361638 0.017 Uiso 1 1 calc R U . . .
C19 C 0.7959(3) 0.5942(2) 0.2498(3) 0.0210(8) Uani 1 1 d . . . . .
H19A H 0.711040 0.616598 0.204617 0.031 Uiso 1 1 calc R U . . .
H19B H 0.809123 0.531597 0.231616 0.031 Uiso 1 1 calc R U . . .
H19C H 0.865480 0.633377 0.244553 0.031 Uiso 1 1 calc R U . . .
C23 C 0.1080(3) 0.1781(2) 0.3942(3) 0.0178(7) Uani 1 1 d . . . . .
H23A H 0.132882 0.117614 0.376141 0.021 Uiso 1 1 calc R U . . .
H23B H 0.022354 0.194633 0.343388 0.021 Uiso 1 1 calc R U . . .
C17 C 0.4889(3) 0.8832(2) 0.3571(3) 0.0182(7) Uani 1 1 d . . . . .
H17A H 0.569184 0.879625 0.416173 0.027 Uiso 1 1 calc R U . . .
H17B H 0.448624 0.943262 0.354450 0.027 Uiso 1 1 calc R U . . .
H17C H 0.509814 0.874162 0.297176 0.027 Uiso 1 1 calc R U . . .
C24 C 0.0933(4) 0.1707(2) 0.4953(3) 0.0247(8) Uani 1 1 d . . . . .
H24A H 0.032896 0.121026 0.493594 0.037 Uiso 1 1 calc R U . . .
H24B H 0.058859 0.228250 0.510327 0.037 Uiso 1 1 calc R U . . .
H24C H 0.178732 0.158256 0.546826 0.037 Uiso 1 1 calc R U . . .
C21 C 0.7435(4) 0.3366(2) 0.2735(3) 0.0250(8) Uani 1 1 d . . . . .
H21A H 0.746753 0.383224 0.225762 0.037 Uiso 1 1 calc R U . . .
H21B H 0.655955 0.309615 0.251327 0.037 Uiso 1 1 calc R U . . .
H21C H 0.807942 0.288953 0.277945 0.037 Uiso 1 1 calc R U . . .
H3A H 0.096(5) 0.496(4) 0.382(4) 0.055(16) Uiso 1 1 d . . . . .
H3B H 0.103(5) 0.598(4) 0.373(4) 0.061(17) Uiso 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 O3 2.037(2) . ?
Pt1 N1 1.997(3) . ?
Pt1 N3 2.004(3) . ?
Pt1 N2 1.971(3) . ?
O3 H3A 0.86(5) . ?
O3 H3B 0.91(5) . ?
O1 C1 1.243(4) . ?
N1 C4 1.381(4) . ?
N1 C1 1.384(4) . ?
O2 C14 1.247(4) . ?
N3 C14 1.382(4) . ?
N3 C11 1.378(4) . ?
N2 C9 1.368(4) . ?
N2 C6 1.373(4) . ?
C14 C13 1.472(4) . ?
C3 C4 1.467(4) . ?
C3 C2 1.347(5) . ?
C3 C17 1.494(4) . ?
C4 C5 1.373(5) . ?
C10 H10 0.9500 . ?
C10 C9 1.400(5) . ?
C10 C11 1.367(4) . ?
C7 C6 1.448(5) . ?
C7 C18 1.501(5) . ?
C7 C8 1.357(4) . ?
C2 C1 1.473(5) . ?
C2 C15 1.490(5) . ?
C13 C12 1.346(5) . ?
C13 C23 1.492(4) . ?
C9 C8 1.437(5) . ?
C6 C5 1.391(5) . ?
C11 C12 1.466(4) . ?
C12 C22 1.492(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C8 1.490(4) . ?
C20 C21 1.534(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.524(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.535(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C5 H5 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.526(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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
N1 Pt1 O3 88.66(10) . . ?
N1 Pt1 N3 175.64(10) . . ?
N3 Pt1 O3 88.77(10) . . ?
N2 Pt1 O3 173.79(11) . . ?
N2 Pt1 N1 91.57(11) . . ?
N2 Pt1 N3 91.37(11) . . ?
Pt1 O3 H3A 105(4) . . ?
Pt1 O3 H3B 106(3) . . ?
H3A O3 H3B 116(5) . . ?
C4 N1 Pt1 125.8(2) . . ?
C4 N1 C1 105.9(3) . . ?
C1 N1 Pt1 128.1(2) . . ?
C14 N3 Pt1 128.0(2) . . ?
C11 N3 Pt1 125.9(2) . . ?
C11 N3 C14 106.0(3) . . ?
C9 N2 Pt1 126.7(2) . . ?
C9 N2 C6 106.6(3) . . ?
C6 N2 Pt1 126.7(2) . . ?
O2 C14 N3 125.5(3) . . ?
O2 C14 C13 124.6(3) . . ?
N3 C14 C13 109.9(3) . . ?
C4 C3 C17 124.0(3) . . ?
C2 C3 C4 107.1(3) . . ?
C2 C3 C17 128.8(3) . . ?
N1 C4 C3 110.1(3) . . ?
C5 C4 N1 124.9(3) . . ?
C5 C4 C3 125.0(3) . . ?
C9 C10 H10 116.9 . . ?
C11 C10 H10 116.9 . . ?
C11 C10 C9 126.3(3) . . ?
C6 C7 C18 125.6(3) . . ?
C8 C7 C6 106.8(3) . . ?
C8 C7 C18 127.6(3) . . ?
C3 C2 C1 106.8(3) . . ?
C3 C2 C15 131.7(3) . . ?
C1 C2 C15 121.4(3) . . ?
C14 C13 C23 121.9(3) . . ?
C12 C13 C14 106.8(3) . . ?
C12 C13 C23 131.3(3) . . ?
N2 C9 C10 124.8(3) . . ?
N2 C9 C8 110.1(3) . . ?
C10 C9 C8 125.1(3) . . ?
N2 C6 C7 109.5(3) . . ?
N2 C6 C5 124.7(3) . . ?
C5 C6 C7 125.8(3) . . ?
O1 C1 N1 125.5(3) . . ?
O1 C1 C2 124.6(3) . . ?
N1 C1 C2 109.9(3) . . ?
N3 C11 C12 110.0(3) . . ?
C10 C11 N3 124.7(3) . . ?
C10 C11 C12 125.2(3) . . ?
C13 C12 C11 107.2(3) . . ?
C13 C12 C22 129.7(3) . . ?
C11 C12 C22 123.1(3) . . ?
H20A C20 H20B 107.9 . . ?
C8 C20 H20A 109.2 . . ?
C8 C20 H20B 109.1 . . ?
C8 C20 C21 112.3(3) . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C12 C22 H22A 109.5 . . ?
C12 C22 H22B 109.5 . . ?
C12 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2 C15 H15A 109.4 . . ?
C2 C15 H15B 109.4 . . ?
C2 C15 C16 111.3(3) . . ?
H15A C15 H15B 108.0 . . ?
C16 C15 H15A 109.4 . . ?
C16 C15 H15B 109.4 . . ?
C7 C18 H18A 109.2 . . ?
C7 C18 H18B 109.2 . . ?
C7 C18 C19 112.1(3) . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 H18A 109.2 . . ?
C19 C18 H18B 109.2 . . ?
C7 C8 C9 107.0(3) . . ?
C7 C8 C20 128.1(3) . . ?
C9 C8 C20 124.8(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C4 C5 C6 126.2(3) . . ?
C4 C5 H5 116.9 . . ?
C6 C5 H5 116.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C13 C23 H23A 108.8 . . ?
C13 C23 H23B 108.8 . . ?
C13 C23 C24 113.6(3) . . ?
H23A C23 H23B 107.7 . . ?
C24 C23 H23A 108.8 . . ?
C24 C23 H23B 108.8 . . ?
C3 C17 H17A 109.5 . . ?
C3 C17 H17B 109.5 . . ?
C3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
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 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N1 C4 C3 -178.9(2) . . . . ?
Pt1 N1 C4 C5 1.2(5) . . . . ?
Pt1 N1 C1 O1 -2.4(5) . . . . ?
Pt1 N1 C1 C2 177.9(2) . . . . ?
Pt1 N3 C14 O2 -4.3(5) . . . . ?
Pt1 N3 C14 C13 175.1(2) . . . . ?
Pt1 N3 C11 C10 6.8(5) . . . . ?
Pt1 N3 C11 C12 -175.1(2) . . . . ?
Pt1 N2 C9 C10 -1.5(5) . . . . ?
Pt1 N2 C9 C8 176.6(2) . . . . ?
Pt1 N2 C6 C7 -175.8(2) . . . . ?
Pt1 N2 C6 C5 3.6(5) . . . . ?
N1 C4 C5 C6 -2.2(6) . . . . ?
O2 C14 C13 C12 -179.3(3) . . . . ?
O2 C14 C13 C23 2.4(5) . . . . ?
N3 C14 C13 C12 1.3(4) . . . . ?
N3 C14 C13 C23 -177.0(3) . . . . ?
N3 C11 C12 C13 -1.5(4) . . . . ?
N3 C11 C12 C22 176.9(3) . . . . ?
N2 C9 C8 C7 -0.8(4) . . . . ?
N2 C9 C8 C20 -179.0(3) . . . . ?
N2 C6 C5 C4 -0.4(6) . . . . ?
C14 N3 C11 C10 -175.9(3) . . . . ?
C14 N3 C11 C12 2.3(4) . . . . ?
C14 C13 C12 C11 0.1(4) . . . . ?
C14 C13 C12 C22 -178.1(3) . . . . ?
C14 C13 C23 C24 -73.1(4) . . . . ?
C3 C4 C5 C6 178.0(3) . . . . ?
C3 C2 C1 O1 179.4(3) . . . . ?
C3 C2 C1 N1 -0.8(4) . . . . ?
C3 C2 C15 C16 -89.3(5) . . . . ?
C4 N1 C1 O1 -177.4(3) . . . . ?
C4 N1 C1 C2 2.8(4) . . . . ?
C4 C3 C2 C1 -1.5(4) . . . . ?
C4 C3 C2 C15 176.1(3) . . . . ?
C10 C9 C8 C7 177.2(3) . . . . ?
C10 C9 C8 C20 -0.9(6) . . . . ?
C10 C11 C12 C13 176.6(3) . . . . ?
C10 C11 C12 C22 -5.0(5) . . . . ?
C7 C6 C5 C4 178.9(3) . . . . ?
C2 C3 C4 N1 3.3(4) . . . . ?
C2 C3 C4 C5 -176.9(3) . . . . ?
C9 N2 C6 C7 0.8(4) . . . . ?
C9 N2 C6 C5 -179.9(3) . . . . ?
C9 C10 C11 N3 -2.5(6) . . . . ?
C9 C10 C11 C12 179.7(3) . . . . ?
C6 N2 C9 C10 -178.1(3) . . . . ?
C6 N2 C9 C8 0.0(4) . . . . ?
C6 C7 C18 C19 -98.6(4) . . . . ?
C6 C7 C8 C9 1.2(4) . . . . ?
C6 C7 C8 C20 179.3(3) . . . . ?
C1 N1 C4 C3 -3.7(4) . . . . ?
C1 N1 C4 C5 176.5(3) . . . . ?
C1 C2 C15 C16 87.9(4) . . . . ?
C11 N3 C14 O2 178.4(3) . . . . ?
C11 N3 C14 C13 -2.2(4) . . . . ?
C11 C10 C9 N2 -0.4(6) . . . . ?
C11 C10 C9 C8 -178.2(3) . . . . ?
C12 C13 C23 C24 109.1(4) . . . . ?
C15 C2 C1 O1 1.6(5) . . . . ?
C15 C2 C1 N1 -178.7(3) . . . . ?
C18 C7 C6 N2 176.6(3) . . . . ?
C18 C7 C6 C5 -2.7(5) . . . . ?
C18 C7 C8 C9 -176.6(3) . . . . ?
C18 C7 C8 C20 1.4(6) . . . . ?
C8 C7 C6 N2 -1.3(4) . . . . ?
C8 C7 C6 C5 179.4(3) . . . . ?
C8 C7 C18 C19 78.8(4) . . . . ?
C23 C13 C12 C11 178.2(3) . . . . ?
C23 C13 C12 C22 0.0(6) . . . . ?
C17 C3 C4 N1 -177.7(3) . . . . ?
C17 C3 C4 C5 2.2(6) . . . . ?
C17 C3 C2 C1 179.6(3) . . . . ?
C17 C3 C2 C15 -2.8(7) . . . . ?
C21 C20 C8 C7 -98.2(4) . . . . ?
C21 C20 C8 C9 79.5(4) . . . . ?

_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_mo_pttd2bf4_0m
_database_code_depnum_ccdc_archive 'CCDC 2182029'
loop_
_audit_author_name
_audit_author_address
'Clayton Curtis'
;The University of Arizona
United States of America
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-04-20 downloaded from the CCDC.
;
_audit_creation_date             2022-06-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H30 N3 O3 Pt, B F4'
_chemical_formula_sum            'C24 H30 B F4 N3 O3 Pt'
_chemical_formula_weight         690.41
_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'
B B 0.0013 0.0007 '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                   12.453(4)
_cell_length_b                   15.634(5)
_cell_length_c                   16.230(5)
_cell_angle_alpha                118.240(9)
_cell_angle_beta                 110.211(10)
_cell_angle_gamma                92.715(10)
_cell_volume                     2526.0(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9268
_cell_measurement_temperature    102.25
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.55
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.616
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0902 before and 0.0417 after correction.
The Ratio of minimum to maximum transmission is 0.7617.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.815
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.249
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.073
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_av_unetI/netI     0.0295
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            50027
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.512
_diffrn_reflns_theta_min         1.514
_diffrn_ambient_temperature      102.25
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8973
_reflns_number_total             10465
_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 v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.566
_refine_diff_density_min         -1.064
_refine_diff_density_rms         0.116
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     719
_refine_ls_number_reflns         10465
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0273
_refine_ls_restrained_S_all      1.037
_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)+(0.0267P)²+6.2732P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0610
_refine_ls_wR_factor_ref         0.0639
_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, All O(H,H) groups
2. Restrained distances
 C9B-C8B \\sim C9B-C8BB
 with sigma of 0.02
 C6B-C8B \\sim C6B-C8BB
 with sigma of 0.04
 C6B-C7B \\sim C6B-C7BB
 with sigma of 0.02
 C7B-C8B \\sim C7BB-C8BB
 with sigma of 0.02
 C9B-C7B \\sim C9B-C7BB
 with sigma of 0.04
3. Others
 Fixed Sof: C7B(0.5) C8B(0.5) C8BB(0.5) C7BB(0.5) C20B(0.5) H20A(0.5)
 H20B(0.5) C1(0.5) H1A(0.5) H1B(0.5) C21B(0.5) H21A(0.5) H21B(0.5) H21C(0.5)
 C2(0.5) H2A(0.5) H2B(0.5) H2C(0.5) C18B(0.5) H18A(0.5) H18B(0.5) C3(0.5)
 H3A(0.5) H3B(0.5) C19B(0.5) H19A(0.5) H19B(0.5) H19C(0.5) C4(0.5) H4A(0.5)
 H4B(0.5) H4C(0.5)
4.a Rotating group:
 O3A(H3AA,H3AB), O3B(H3BA,H3BB)
4.b Secondary CH2 refined with riding coordinates:
 C18A(H18C,H18D), C20A(H20C,H20D), C23A(H23C,H23D), C15A(H15C,H15D), C23B(H23A,
 H23B), C15B(H15A,H15B), C20B(H20A,H20B), C1(H1A,H1B), C18B(H18A,H18B), C3(H3A,
 H3B)
4.c Aromatic/amide H refined with riding coordinates:
 C5A(H5A), C10A(H10A), C5B(H5B), C10B(H10B)
4.d Idealised Me refined as rotating group:
 C17B(H17A,H17B,H17C), C19A(H19D,H19E,H19F), C24A(H24D,H24E,H24F), C17A(H17D,
 H17E,H17F), C22A(H22D,H22E,H22F), C22B(H22A,H22B,H22C), C21A(H21D,H21E,H21F),
 C16B(H16A,H16B,H16C), C16A(H16D,H16E,H16F), C24B(H24A,H24B,H24C), C21B(H21A,
 H21B,H21C), C2(H2A,H2B,H2C), C19B(H19A,H19B,H19C), C4(H4A,H4B,H4C)
;
_atom_sites_solution_hydrogens   mixed
_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
Pt1A Pt 0.75263(2) 0.36485(2) 0.58260(2) 0.01643(5) Uani 1 1 d . . . . .
Pt1B Pt 0.62707(2) 0.14523(2) 0.55739(2) 0.02034(5) Uani 1 1 d . . . . .
O3A O 0.9236(2) 0.3608(2) 0.6480(2) 0.0239(6) Uani 1 1 d . . . . .
H3AA H 0.960202 0.414761 0.708911 0.036 Uiso 1 1 d R U . . .
H3AB H 0.961460 0.364635 0.613080 0.036 Uiso 1 1 d R U . . .
O3B O 0.8060(2) 0.1639(2) 0.6248(3) 0.0280(7) Uani 1 1 d . . . . .
H3BA H 0.835542 0.216740 0.687069 0.042 Uiso 1 1 d R U . . .
H3BB H 0.840264 0.178541 0.592741 0.042 Uiso 1 1 d R U . . .
N2A N 0.5818(3) 0.3514(2) 0.5172(3) 0.0171(7) Uani 1 1 d . . . . .
F2A F 1.3255(2) 0.3776(2) 0.7339(2) 0.0409(7) Uani 1 1 d . . . . .
O1A O 0.9517(2) 0.4942(2) 0.8302(2) 0.0277(7) Uani 1 1 d . . . . .
O2A O 0.9673(3) 0.3402(2) 0.4966(2) 0.0284(7) Uani 1 1 d . . . . .
O2B O 0.8372(3) 0.1308(2) 0.4671(3) 0.0324(7) Uani 1 1 d . . . . .
O1B O 0.8257(3) 0.2825(2) 0.8059(2) 0.0304(7) Uani 1 1 d . . . . .
N1B N 0.6249(3) 0.2065(2) 0.6957(3) 0.0226(8) Uani 1 1 d . . . . .
N1A N 0.7490(3) 0.4292(2) 0.7204(2) 0.0178(7) Uani 1 1 d . . . . .
N3A N 0.7622(3) 0.3137(2) 0.4472(3) 0.0183(7) Uani 1 1 d . . . . .
N3B N 0.6329(3) 0.0889(3) 0.4210(3) 0.0239(8) Uani 1 1 d . . . . .
C9A C 0.5140(3) 0.3101(3) 0.4144(3) 0.0179(8) Uani 1 1 d . . . . .
C5A C 0.5383(3) 0.4106(3) 0.6681(3) 0.0189(8) Uani 1 1 d . . . . .
H5A H 0.477021 0.416578 0.691119 0.023 Uiso 1 1 calc R U . . .
N2B N 0.4532(3) 0.1155(3) 0.4916(3) 0.0260(8) Uani 1 1 d . . . . .
F1A F 1.1615(3) 0.4340(3) 0.7295(3) 0.0796(13) Uani 1 1 d . . . . .
C4A C 0.6546(3) 0.4431(3) 0.7419(3) 0.0188(8) Uani 1 1 d . . . . .
C10A C 0.5554(3) 0.2771(3) 0.3389(3) 0.0196(8) Uani 1 1 d . . . . .
H10A H 0.498910 0.247583 0.269700 0.024 Uiso 1 1 calc R U . . .
C6A C 0.5057(3) 0.3709(3) 0.5651(3) 0.0180(8) Uani 1 1 d . . . . .
C1B C 0.7242(4) 0.2606(3) 0.7934(3) 0.0251(9) Uani 1 1 d . . . . .
C14A C 0.8683(4) 0.3154(3) 0.4308(3) 0.0216(9) Uani 1 1 d . . . . .
C4B C 0.5295(4) 0.2106(3) 0.7173(3) 0.0239(9) Uani 1 1 d . . . . .
C7A C 0.3852(3) 0.3429(3) 0.4886(3) 0.0203(8) Uani 1 1 d . . . . .
C11A C 0.6736(4) 0.2837(3) 0.3564(3) 0.0198(8) Uani 1 1 d . . . . .
C2A C 0.8067(4) 0.5283(3) 0.9010(3) 0.0234(9) Uani 1 1 d . . . . .
C1A C 0.8502(3) 0.4851(3) 0.8194(3) 0.0203(8) Uani 1 1 d . . . . .
C8A C 0.3895(3) 0.3055(3) 0.3962(3) 0.0188(8) Uani 1 1 d . . . . .
F1B F 0.2537(4) 0.0281(3) 0.1055(3) 0.0876(14) Uani 1 1 d . . . . .
C3A C 0.6890(4) 0.5022(3) 0.8545(3) 0.0230(9) Uani 1 1 d . . . . .
C14B C 0.7376(4) 0.0906(3) 0.4015(4) 0.0268(10) Uani 1 1 d . . . . .
C3B C 0.5647(4) 0.2622(3) 0.8302(4) 0.0278(10) Uani 1 1 d . . . . .
C18A C 0.2800(3) 0.3586(3) 0.5137(3) 0.0223(9) Uani 1 1 d . . . . .
H18C H 0.285104 0.339337 0.564650 0.027 Uiso 1 1 calc R U . . .
H18D H 0.207086 0.314370 0.450572 0.027 Uiso 1 1 calc R U . . .
C13A C 0.8360(4) 0.2819(3) 0.3216(3) 0.0236(9) Uani 1 1 d . . . . .
C5B C 0.4136(4) 0.1750(4) 0.6446(4) 0.0331(11) Uani 1 1 d . . . . .
H5B H 0.352877 0.180788 0.668273 0.040 Uiso 1 1 calc R U . . .
F4A F 1.3310(4) 0.5418(3) 0.8165(4) 0.0979(15) Uani 1 1 d . . . . .
C20A C 0.2924(4) 0.2704(3) 0.2935(3) 0.0233(9) Uani 1 1 d . . . . .
H20C H 0.215542 0.254079 0.294945 0.028 Uiso 1 1 calc R U . . .
H20D H 0.301753 0.208115 0.241111 0.028 Uiso 1 1 calc R U . . .
C12A C 0.7186(4) 0.2616(3) 0.2763(3) 0.0238(9) Uani 1 1 d . . . . .
C12B C 0.5844(5) 0.0141(3) 0.2452(4) 0.0330(11) Uani 1 1 d . . . . .
F3A F 1.2891(5) 0.4470(4) 0.8722(3) 0.115(2) Uani 1 1 d . . . . .
C10B C 0.4241(4) 0.0376(4) 0.3123(4) 0.0374(12) Uani 1 1 d . . . . .
H10B H 0.366468 0.006117 0.243216 0.045 Uiso 1 1 calc R U . . .
C13B C 0.7018(4) 0.0394(3) 0.2897(4) 0.0311(10) Uani 1 1 d . . . . .
C11B C 0.5415(4) 0.0474(3) 0.3284(4) 0.0283(10) Uani 1 1 d . . . . .
C2B C 0.6830(4) 0.2906(3) 0.8759(4) 0.0299(10) Uani 1 1 d . . . . .
C9B C 0.3843(4) 0.0696(4) 0.3880(4) 0.0395(12) Uani 1 1 d D . . . .
C23A C 0.9270(4) 0.2793(3) 0.2815(4) 0.0287(10) Uani 1 1 d . . . . .
H23C H 0.890073 0.234894 0.205544 0.034 Uiso 1 1 calc R U . . .
H23D H 0.989016 0.251048 0.309682 0.034 Uiso 1 1 calc R U . . .
C17B C 0.4787(4) 0.2789(4) 0.8779(4) 0.0349(11) Uani 1 1 d . . . . .
H17A H 0.428368 0.318327 0.858188 0.052 Uiso 1 1 calc R U . . .
H17B H 0.521879 0.315293 0.952964 0.052 Uiso 1 1 calc R U . . .
H17C H 0.429367 0.213941 0.853790 0.052 Uiso 1 1 calc R U . . .
C15A C 0.8881(4) 0.5949(4) 1.0121(3) 0.0344(11) Uani 1 1 d . . . . .
H15C H 0.967949 0.582974 1.023337 0.041 Uiso 1 1 calc R U . . .
H15D H 0.859286 0.578177 1.053700 0.041 Uiso 1 1 calc R U . . .
C6B C 0.3800(4) 0.1321(4) 0.5407(4) 0.0368(12) Uani 1 1 d D . . . .
C19A C 0.2719(4) 0.4674(3) 0.5570(4) 0.0286(10) Uani 1 1 d . . . . .
H19D H 0.264246 0.486214 0.506001 0.043 Uiso 1 1 calc R U . . .
H19E H 0.343560 0.511494 0.619945 0.043 Uiso 1 1 calc R U . . .
H19F H 0.202556 0.474362 0.572994 0.043 Uiso 1 1 calc R U . . .
C24A C 0.9832(4) 0.3839(4) 0.3108(4) 0.0367(12) Uani 1 1 d . . . . .
H24D H 1.042588 0.379913 0.283046 0.055 Uiso 1 1 calc R U . . .
H24E H 1.021285 0.427450 0.385922 0.055 Uiso 1 1 calc R U . . .
H24F H 0.922028 0.411544 0.282187 0.055 Uiso 1 1 calc R U . . .
C17A C 0.6022(4) 0.5291(4) 0.9005(4) 0.0310(10) Uani 1 1 d . . . . .
H17D H 0.566125 0.577629 0.885992 0.046 Uiso 1 1 calc R U . . .
H17E H 0.642743 0.558901 0.975090 0.046 Uiso 1 1 calc R U . . .
H17F H 0.540573 0.468587 0.870618 0.046 Uiso 1 1 calc R U . . .
C22A C 0.6396(4) 0.2277(4) 0.1679(3) 0.0334(11) Uani 1 1 d . . . . .
H22D H 0.572496 0.172692 0.141810 0.050 Uiso 1 1 calc R U . . .
H22E H 0.683939 0.204389 0.125290 0.050 Uiso 1 1 calc R U . . .
H22F H 0.610255 0.283841 0.165144 0.050 Uiso 1 1 calc R U . . .
C22B C 0.5031(5) -0.0367(4) 0.1338(4) 0.0437(13) Uani 1 1 d . . . . .
H22A H 0.462138 0.010640 0.120875 0.066 Uiso 1 1 calc R U . . .
H22B H 0.444877 -0.094530 0.114924 0.066 Uiso 1 1 calc R U . . .
H22C H 0.548992 -0.059442 0.092526 0.066 Uiso 1 1 calc R U . . .
C21A C 0.2906(4) 0.3486(4) 0.2617(4) 0.0377(12) Uani 1 1 d . . . . .
H21D H 0.224147 0.322536 0.194725 0.057 Uiso 1 1 calc R U . . .
H21E H 0.364980 0.362702 0.256779 0.057 Uiso 1 1 calc R U . . .
H21F H 0.281683 0.410617 0.313354 0.057 Uiso 1 1 calc R U . . .
C23B C 0.7911(5) 0.0244(4) 0.2458(4) 0.0429(13) Uani 1 1 d . . . . .
H23A H 0.863951 0.079502 0.295771 0.051 Uiso 1 1 calc R U . . .
H23B H 0.759867 0.027236 0.182374 0.051 Uiso 1 1 calc R U . . .
F2B F 0.1593(4) 0.0790(5) -0.0029(4) 0.125(2) Uani 1 1 d . . . . .
F4B F 0.3499(4) 0.1166(5) 0.0669(5) 0.134(2) Uani 1 1 d . . . . .
C15B C 0.7676(4) 0.3419(4) 0.9860(4) 0.0483(15) Uani 1 1 d . . . . .
H15A H 0.725479 0.374754 1.029708 0.058 Uiso 1 1 calc R U . . .
H15B H 0.830518 0.394870 1.000598 0.058 Uiso 1 1 calc R U . . .
F3B F 0.2488(8) -0.0441(4) -0.0487(4) 0.175(3) Uani 1 1 d . . . . .
C16B C 0.8234(6) 0.2705(5) 1.0135(5) 0.0654(19) Uani 1 1 d . . . . .
H16A H 0.864951 0.237582 0.970288 0.098 Uiso 1 1 calc R U . . .
H16B H 0.761747 0.219668 1.002189 0.098 Uiso 1 1 calc R U . . .
H16C H 0.879775 0.307709 1.086122 0.098 Uiso 1 1 calc R U . . .
C16A C 0.8960(6) 0.7041(4) 1.0471(5) 0.075(2) Uani 1 1 d . . . . .
H16D H 0.926780 0.721297 1.007314 0.112 Uiso 1 1 calc R U . . .
H16E H 0.949260 0.745923 1.120393 0.112 Uiso 1 1 calc R U . . .
H16F H 0.817138 0.716128 1.036291 0.112 Uiso 1 1 calc R U . . .
C7B C 0.2573(8) 0.0724(7) 0.4591(8) 0.024(2) Uani 0.5 1 d D . P A 1
C8B C 0.2600(8) 0.0340(8) 0.3663(8) 0.026(2) Uani 0.5 1 d D . P A 1
B1B B 0.2523(8) 0.0473(7) 0.0277(6) 0.068(2) Uani 1 1 d . . . . .
C24B C 0.8210(6) -0.0746(4) 0.2207(7) 0.076(2) Uani 1 1 d . . . . .
H24A H 0.752569 -0.129388 0.162588 0.114 Uiso 1 1 calc R U . . .
H24B H 0.841482 -0.081581 0.280765 0.114 Uiso 1 1 calc R U . . .
H24C H 0.888426 -0.077228 0.202296 0.114 Uiso 1 1 calc R U . . .
B1A B 1.2709(6) 0.4436(6) 0.7854(5) 0.0485(17) Uani 1 1 d . . . . .
C8BB C 0.2598(8) 0.0819(9) 0.3761(8) 0.030(2) Uani 0.5 1 d D . P A 2
C7BB C 0.2569(8) 0.1196(9) 0.4686(7) 0.027(2) Uani 0.5 1 d D . P A 2
C20B C 0.1602(9) -0.0211(9) 0.2627(9) 0.033(3) Uani 0.5 1 d . . P A 1
H20A H 0.104415 -0.069841 0.261031 0.039 Uiso 0.5 1 calc R U P A 1
H20B H 0.191563 -0.059990 0.211621 0.039 Uiso 0.5 1 calc R U P A 1
C1 C 0.1573(10) 0.0460(8) 0.2733(8) 0.031(2) Uani 0.5 1 d . . P A 2
H1A H 0.088605 0.070124 0.284408 0.038 Uiso 0.5 1 calc R U P A 2
H1B H 0.180440 0.073129 0.236047 0.038 Uiso 0.5 1 calc R U P A 2
C21B C 0.0917(10) 0.0428(8) 0.2295(9) 0.042(3) Uani 0.5 1 d . . P A 1
H21A H 0.022684 -0.000745 0.163997 0.063 Uiso 0.5 1 calc R U P A 1
H21B H 0.142703 0.084717 0.220929 0.063 Uiso 0.5 1 calc R U P A 1
H21C H 0.065247 0.085864 0.282058 0.063 Uiso 0.5 1 calc R U P A 1
C2 C 0.1246(10) -0.0670(9) 0.2109(9) 0.034(2) Uani 0.5 1 d . . P A 2
H2A H 0.058932 -0.090852 0.144016 0.051 Uiso 0.5 1 calc R U P A 2
H2B H 0.100614 -0.093311 0.247673 0.051 Uiso 0.5 1 calc R U P A 2
H2C H 0.193059 -0.090325 0.200248 0.051 Uiso 0.5 1 calc R U P A 2
C18B C 0.1554(7) 0.0691(7) 0.4831(7) 0.0211(18) Uani 0.5 1 d . . P A 1
H18A H 0.172472 0.045550 0.532028 0.025 Uiso 0.5 1 calc R U P A 1
H18B H 0.087220 0.017952 0.419002 0.025 Uiso 0.5 1 calc R U P A 1
C3 C 0.1511(9) 0.1410(8) 0.4989(9) 0.031(2) Uani 0.5 1 d . . P A 2
H3A H 0.176888 0.206671 0.563925 0.037 Uiso 0.5 1 calc R U P A 2
H3B H 0.086583 0.143997 0.444574 0.037 Uiso 0.5 1 calc R U P A 2
C19B C 0.1167(9) 0.1683(8) 0.5295(9) 0.033(3) Uani 0.5 1 d . . P A 1
H19A H 0.088085 0.187882 0.478151 0.050 Uiso 0.5 1 calc R U P A 1
H19B H 0.184381 0.221484 0.590478 0.050 Uiso 0.5 1 calc R U P A 1
H19C H 0.053164 0.158040 0.548959 0.050 Uiso 0.5 1 calc R U P A 1
C4 C 0.1076(11) 0.0614(9) 0.5122(11) 0.052(3) Uani 0.5 1 d . . P A 2
H4A H 0.084714 -0.003827 0.448544 0.078 Uiso 0.5 1 calc R U P A 2
H4B H 0.038831 0.073699 0.528231 0.078 Uiso 0.5 1 calc R U P A 2
H4C H 0.170315 0.061128 0.568795 0.078 Uiso 0.5 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1A O3A 2.044(3) . ?
Pt1A N2A 1.971(3) . ?
Pt1A N1A 1.990(3) . ?
Pt1A N3A 2.002(3) . ?
Pt1B O3B 2.049(3) . ?
Pt1B N1B 1.992(4) . ?
Pt1B N3B 1.988(4) . ?
Pt1B N2B 1.971(4) . ?
O3A H3AA 0.8720 . ?
O3A H3AB 0.8715 . ?
O3B H3BA 0.8736 . ?
O3B H3BB 0.8737 . ?
N2A C9A 1.367(5) . ?
N2A C6A 1.380(5) . ?
F2A B1A 1.367(6) . ?
O1A C1A 1.206(5) . ?
O2A C14A 1.210(5) . ?
O2B C14B 1.203(6) . ?
O1B C1B 1.213(5) . ?
N1B C1B 1.428(5) . ?
N1B C4B 1.346(5) . ?
N1A C4A 1.336(5) . ?
N1A C1A 1.450(5) . ?
N3A C14A 1.437(5) . ?
N3A C11A 1.335(5) . ?
N3B C14B 1.446(6) . ?
N3B C11B 1.342(6) . ?
C9A C10A 1.378(6) . ?
C9A C8A 1.467(5) . ?
C5A H5A 0.9500 . ?
C5A C4A 1.395(6) . ?
C5A C6A 1.367(6) . ?
N2B C9B 1.372(6) . ?
N2B C6B 1.364(6) . ?
F1A B1A 1.304(7) . ?
C4A C3A 1.484(6) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.387(6) . ?
C6A C7A 1.456(5) . ?
C1B C2B 1.477(6) . ?
C14A C13A 1.479(6) . ?
C4B C3B 1.487(6) . ?
C4B C5B 1.382(6) . ?
C7A C8A 1.350(6) . ?
C7A C18A 1.498(5) . ?
C11A C12A 1.490(6) . ?
C2A C1A 1.479(6) . ?
C2A C3A 1.332(6) . ?
C2A C15A 1.491(6) . ?
C8A C20A 1.491(6) . ?
F1B B1B 1.425(9) . ?
C3A C17A 1.484(6) . ?
C14B C13B 1.471(6) . ?
C3B C2B 1.337(6) . ?
C3B C17B 1.491(6) . ?
C18A H18C 0.9900 . ?
C18A H18D 0.9900 . ?
C18A C19A 1.527(6) . ?
C13A C12A 1.331(6) . ?
C13A C23A 1.482(6) . ?
C5B H5B 0.9500 . ?
C5B C6B 1.373(7) . ?
F4A B1A 1.438(9) . ?
C20A H20C 0.9900 . ?
C20A H20D 0.9900 . ?
C20A C21A 1.534(6) . ?
C12A C22A 1.489(6) . ?
C12B C13B 1.327(7) . ?
C12B C11B 1.497(6) . ?
C12B C22B 1.491(7) . ?
F3A B1A 1.322(7) . ?
C10B H10B 0.9500 . ?
C10B C11B 1.381(7) . ?
C10B C9B 1.368(7) . ?
C13B C23B 1.488(6) . ?
C2B C15B 1.486(7) . ?
C9B C8B 1.478(10) . ?
C9B C8BB 1.527(10) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C23A C24A 1.522(7) . ?
C17B H17A 0.9800 . ?
C17B H17B 0.9800 . ?
C17B H17C 0.9800 . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C15A C16A 1.509(8) . ?
C6B C7B 1.502(10) . ?
C6B C7BB 1.508(10) . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
C17A H17D 0.9800 . ?
C17A H17E 0.9800 . ?
C17A H17F 0.9800 . ?
C22A H22D 0.9800 . ?
C22A H22E 0.9800 . ?
C22A H22F 0.9800 . ?
C22B H22A 0.9800 . ?
C22B H22B 0.9800 . ?
C22B H22C 0.9800 . ?
C21A H21D 0.9800 . ?
C21A H21E 0.9800 . ?
C21A H21F 0.9800 . ?
C23B H23A 0.9900 . ?
C23B H23B 0.9900 . ?
C23B C24B 1.504(7) . ?
F2B B1B 1.313(9) . ?
F4B B1B 1.321(10) . ?
C15B H15A 0.9900 . ?
C15B H15B 0.9900 . ?
C15B C16B 1.503(9) . ?
F3B B1B 1.364(9) . ?
C16B H16A 0.9800 . ?
C16B H16B 0.9800 . ?
C16B H16C 0.9800 . ?
C16A H16D 0.9800 . ?
C16A H16E 0.9800 . ?
C16A H16F 0.9800 . ?
C7B C8B 1.346(12) . ?
C7B C18B 1.456(13) . ?
C8B C20B 1.482(14) . ?
C24B H24A 0.9800 . ?
C24B H24B 0.9800 . ?
C24B H24C 0.9800 . ?
C8BB C7BB 1.342(12) . ?
C8BB C1 1.517(15) . ?
C7BB C3 1.556(14) . ?
C20B H20A 0.9900 . ?
C20B H20B 0.9900 . ?
C20B C21B 1.513(14) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.505(14) . ?
C21B H21A 0.9800 . ?
C21B H21B 0.9800 . ?
C21B H21C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C18B H18A 0.9900 . ?
C18B H18B 0.9900 . ?
C18B C19B 1.556(12) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.470(15) . ?
C19B H19A 0.9800 . ?
C19B H19B 0.9800 . ?
C19B H19C 0.9800 . ?
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
N2A Pt1A O3A 172.50(12) . . ?
N2A Pt1A N1A 90.47(13) . . ?
N2A Pt1A N3A 90.35(13) . . ?
N1A Pt1A O3A 89.38(12) . . ?
N1A Pt1A N3A 174.38(13) . . ?
N3A Pt1A O3A 90.52(13) . . ?
N1B Pt1B O3B 89.28(14) . . ?
N3B Pt1B O3B 89.83(14) . . ?
N3B Pt1B N1B 177.88(13) . . ?
N2B Pt1B O3B 174.84(13) . . ?
N2B Pt1B N1B 90.53(15) . . ?
N2B Pt1B N3B 90.53(15) . . ?
Pt1A O3A H3AA 109.5 . . ?
Pt1A O3A H3AB 109.4 . . ?
H3AA O3A H3AB 104.4 . . ?
Pt1B O3B H3BA 109.3 . . ?
Pt1B O3B H3BB 109.9 . . ?
H3BA O3B H3BB 104.3 . . ?
C9A N2A Pt1A 126.5(3) . . ?
C9A N2A C6A 107.0(3) . . ?
C6A N2A Pt1A 126.1(3) . . ?
C1B N1B Pt1B 127.2(3) . . ?
C4B N1B Pt1B 127.5(3) . . ?
C4B N1B C1B 105.2(4) . . ?
C4A N1A Pt1A 127.7(3) . . ?
C4A N1A C1A 105.1(3) . . ?
C1A N1A Pt1A 126.6(3) . . ?
C14A N3A Pt1A 126.5(3) . . ?
C11A N3A Pt1A 127.3(3) . . ?
C11A N3A C14A 105.6(3) . . ?
C14B N3B Pt1B 127.0(3) . . ?
C11B N3B Pt1B 127.7(3) . . ?
C11B N3B C14B 105.2(4) . . ?
N2A C9A C10A 125.6(4) . . ?
N2A C9A C8A 109.5(3) . . ?
C10A C9A C8A 124.8(4) . . ?
C4A C5A H5A 117.5 . . ?
C6A C5A H5A 117.5 . . ?
C6A C5A C4A 125.0(4) . . ?
C9B N2B Pt1B 125.9(3) . . ?
C6B N2B Pt1B 125.9(3) . . ?
C6B N2B C9B 108.1(4) . . ?
N1A C4A C5A 124.5(4) . . ?
N1A C4A C3A 111.7(3) . . ?
C5A C4A C3A 123.8(4) . . ?
C9A C10A H10A 117.6 . . ?
C9A C10A C11A 124.8(4) . . ?
C11A C10A H10A 117.6 . . ?
N2A C6A C7A 109.3(3) . . ?
C5A C6A N2A 125.5(4) . . ?
C5A C6A C7A 125.3(4) . . ?
O1B C1B N1B 124.7(4) . . ?
O1B C1B C2B 125.8(4) . . ?
N1B C1B C2B 109.4(4) . . ?
O2A C14A N3A 124.8(4) . . ?
O2A C14A C13A 126.3(4) . . ?
N3A C14A C13A 108.9(3) . . ?
N1B C4B C3B 111.3(4) . . ?
N1B C4B C5B 124.6(4) . . ?
C5B C4B C3B 124.1(4) . . ?
C6A C7A C18A 124.1(4) . . ?
C8A C7A C6A 107.4(3) . . ?
C8A C7A C18A 128.5(4) . . ?
N3A C11A C10A 124.9(4) . . ?
N3A C11A C12A 111.0(3) . . ?
C10A C11A C12A 124.0(4) . . ?
C1A C2A C15A 122.4(4) . . ?
C3A C2A C1A 107.2(4) . . ?
C3A C2A C15A 130.2(4) . . ?
O1A C1A N1A 124.1(4) . . ?
O1A C1A C2A 127.4(4) . . ?
N1A C1A C2A 108.5(3) . . ?
C9A C8A C20A 123.7(4) . . ?
C7A C8A C9A 106.8(3) . . ?
C7A C8A C20A 129.5(4) . . ?
C2A C3A C4A 107.4(4) . . ?
C2A C3A C17A 129.2(4) . . ?
C17A C3A C4A 123.3(4) . . ?
O2B C14B N3B 124.8(4) . . ?
O2B C14B C13B 126.1(4) . . ?
N3B C14B C13B 109.0(4) . . ?
C4B C3B C17B 123.8(4) . . ?
C2B C3B C4B 107.2(4) . . ?
C2B C3B C17B 129.0(4) . . ?
C7A C18A H18C 109.1 . . ?
C7A C18A H18D 109.1 . . ?
C7A C18A C19A 112.3(3) . . ?
H18C C18A H18D 107.9 . . ?
C19A C18A H18C 109.1 . . ?
C19A C18A H18D 109.1 . . ?
C14A C13A C23A 121.8(4) . . ?
C12A C13A C14A 106.8(4) . . ?
C12A C13A C23A 131.4(4) . . ?
C4B C5B H5B 117.6 . . ?
C6B C5B C4B 124.7(4) . . ?
C6B C5B H5B 117.6 . . ?
C8A C20A H20C 109.0 . . ?
C8A C20A H20D 109.0 . . ?
C8A C20A C21A 112.8(3) . . ?
H20C C20A H20D 107.8 . . ?
C21A C20A H20C 109.0 . . ?
C21A C20A H20D 109.0 . . ?
C13A C12A C11A 107.6(4) . . ?
C13A C12A C22A 129.5(4) . . ?
C22A C12A C11A 122.8(4) . . ?
C13B C12B C11B 107.7(4) . . ?
C13B C12B C22B 129.2(5) . . ?
C22B C12B C11B 123.1(4) . . ?
C11B C10B H10B 117.5 . . ?
C9B C10B H10B 117.5 . . ?
C9B C10B C11B 125.1(5) . . ?
C14B C13B C23B 121.4(4) . . ?
C12B C13B C14B 107.1(4) . . ?
C12B C13B C23B 131.5(5) . . ?
N3B C11B C12B 110.7(4) . . ?
N3B C11B C10B 124.6(4) . . ?
C10B C11B C12B 124.7(4) . . ?
C1B C2B C15B 121.5(4) . . ?
C3B C2B C1B 106.8(4) . . ?
C3B C2B C15B 131.7(5) . . ?
N2B C9B C8B 109.6(5) . . ?
N2B C9B C8BB 106.7(5) . . ?
C10B C9B N2B 126.1(4) . . ?
C10B C9B C8B 122.4(6) . . ?
C10B C9B C8BB 126.0(6) . . ?
C13A C23A H23C 109.4 . . ?
C13A C23A H23D 109.4 . . ?
C13A C23A C24A 111.2(4) . . ?
H23C C23A H23D 108.0 . . ?
C24A C23A H23C 109.4 . . ?
C24A C23A H23D 109.4 . . ?
C3B C17B H17A 109.5 . . ?
C3B C17B H17B 109.5 . . ?
C3B C17B H17C 109.5 . . ?
H17A C17B H17B 109.5 . . ?
H17A C17B H17C 109.5 . . ?
H17B C17B H17C 109.5 . . ?
C2A C15A H15C 109.4 . . ?
C2A C15A H15D 109.4 . . ?
C2A C15A C16A 111.3(4) . . ?
H15C C15A H15D 108.0 . . ?
C16A C15A H15C 109.4 . . ?
C16A C15A H15D 109.4 . . ?
N2B C6B C5B 126.6(4) . . ?
N2B C6B C7B 106.8(5) . . ?
N2B C6B C7BB 109.7(5) . . ?
C5B C6B C7B 125.1(5) . . ?
C5B C6B C7BB 122.2(5) . . ?
C18A C19A H19D 109.5 . . ?
C18A C19A H19E 109.5 . . ?
C18A C19A H19F 109.5 . . ?
H19D C19A H19E 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C23A C24A H24D 109.5 . . ?
C23A C24A H24E 109.5 . . ?
C23A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 109.5 . . ?
C3A C17A H17D 109.5 . . ?
C3A C17A H17E 109.5 . . ?
C3A C17A H17F 109.5 . . ?
H17D C17A H17E 109.5 . . ?
H17D C17A H17F 109.5 . . ?
H17E C17A H17F 109.5 . . ?
C12A C22A H22D 109.5 . . ?
C12A C22A H22E 109.5 . . ?
C12A C22A H22F 109.5 . . ?
H22D C22A H22E 109.5 . . ?
H22D C22A H22F 109.5 . . ?
H22E C22A H22F 109.5 . . ?
C12B C22B H22A 109.5 . . ?
C12B C22B H22B 109.5 . . ?
C12B C22B H22C 109.5 . . ?
H22A C22B H22B 109.5 . . ?
H22A C22B H22C 109.5 . . ?
H22B C22B H22C 109.5 . . ?
C20A C21A H21D 109.5 . . ?
C20A C21A H21E 109.5 . . ?
C20A C21A H21F 109.5 . . ?
H21D C21A H21E 109.5 . . ?
H21D C21A H21F 109.5 . . ?
H21E C21A H21F 109.5 . . ?
C13B C23B H23A 109.2 . . ?
C13B C23B H23B 109.2 . . ?
C13B C23B C24B 111.9(5) . . ?
H23A C23B H23B 107.9 . . ?
C24B C23B H23A 109.2 . . ?
C24B C23B H23B 109.2 . . ?
C2B C15B H15A 109.1 . . ?
C2B C15B H15B 109.2 . . ?
C2B C15B C16B 112.3(5) . . ?
H15A C15B H15B 107.9 . . ?
C16B C15B H15A 109.1 . . ?
C16B C15B H15B 109.1 . . ?
C15B C16B H16A 109.5 . . ?
C15B C16B H16B 109.5 . . ?
C15B C16B H16C 109.5 . . ?
H16A C16B H16B 109.5 . . ?
H16A C16B H16C 109.5 . . ?
H16B C16B H16C 109.5 . . ?
C15A C16A H16D 109.5 . . ?
C15A C16A H16E 109.5 . . ?
C15A C16A H16F 109.5 . . ?
H16D C16A H16E 109.5 . . ?
H16D C16A H16F 109.5 . . ?
H16E C16A H16F 109.5 . . ?
C8B C7B C6B 108.5(7) . . ?
C8B C7B C18B 128.7(8) . . ?
C18B C7B C6B 122.5(8) . . ?
C9B C8B C20B 125.3(9) . . ?
C7B C8B C9B 105.4(7) . . ?
C7B C8B C20B 128.9(9) . . ?
F2B B1B F1B 111.0(6) . . ?
F2B B1B F4B 109.8(8) . . ?
F2B B1B F3B 111.9(7) . . ?
F4B B1B F1B 107.8(6) . . ?
F4B B1B F3B 113.2(7) . . ?
F3B B1B F1B 102.8(7) . . ?
C23B C24B H24A 109.5 . . ?
C23B C24B H24B 109.5 . . ?
C23B C24B H24C 109.5 . . ?
H24A C24B H24B 109.5 . . ?
H24A C24B H24C 109.5 . . ?
H24B C24B H24C 109.5 . . ?
F2A B1A F4A 106.5(5) . . ?
F1A B1A F2A 115.2(5) . . ?
F1A B1A F4A 103.5(5) . . ?
F1A B1A F3A 115.2(6) . . ?
F3A B1A F2A 110.3(5) . . ?
F3A B1A F4A 105.1(6) . . ?
C7BB C8BB C9B 108.3(8) . . ?
C7BB C8BB C1 127.8(9) . . ?
C1 C8BB C9B 123.6(8) . . ?
C6B C7BB C3 125.0(8) . . ?
C8BB C7BB C6B 105.1(7) . . ?
C8BB C7BB C3 129.8(9) . . ?
C8B C20B H20A 108.3 . . ?
C8B C20B H20B 108.3 . . ?
C8B C20B C21B 115.8(10) . . ?
H20A C20B H20B 107.4 . . ?
C21B C20B H20A 108.3 . . ?
C21B C20B H20B 108.3 . . ?
C8BB C1 H1A 109.9 . . ?
C8BB C1 H1B 109.9 . . ?
H1A C1 H1B 108.3 . . ?
C2 C1 C8BB 108.9(10) . . ?
C2 C1 H1A 109.9 . . ?
C2 C1 H1B 109.9 . . ?
C20B C21B H21A 109.5 . . ?
C20B C21B H21B 109.5 . . ?
C20B C21B H21C 109.5 . . ?
H21A C21B H21B 109.5 . . ?
H21A C21B H21C 109.5 . . ?
H21B C21B H21C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C7B C18B H18A 107.9 . . ?
C7B C18B H18B 107.9 . . ?
C7B C18B C19B 117.4(8) . . ?
H18A C18B H18B 107.2 . . ?
C19B C18B H18A 107.9 . . ?
C19B C18B H18B 107.9 . . ?
C7BB C3 H3A 109.7 . . ?
C7BB C3 H3B 109.7 . . ?
H3A C3 H3B 108.2 . . ?
C4 C3 C7BB 110.0(10) . . ?
C4 C3 H3A 109.7 . . ?
C4 C3 H3B 109.7 . . ?
C18B C19B H19A 109.5 . . ?
C18B C19B H19B 109.5 . . ?
C18B C19B H19C 109.5 . . ?
H19A C19B H19B 109.5 . . ?
H19A C19B H19C 109.5 . . ?
H19B C19B H19C 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1A N2A C9A C10A -5.1(6) . . . . ?
Pt1A N2A C9A C8A 174.5(2) . . . . ?
Pt1A N2A C6A C5A 5.7(5) . . . . ?
Pt1A N2A C6A C7A -174.6(2) . . . . ?
Pt1A N1A C4A C5A 2.3(6) . . . . ?
Pt1A N1A C4A C3A -174.8(3) . . . . ?
Pt1A N1A C1A O1A -4.9(6) . . . . ?
Pt1A N1A C1A C2A 174.3(3) . . . . ?
Pt1A N3A C14A O2A 7.0(6) . . . . ?
Pt1A N3A C14A C13A -173.2(3) . . . . ?
Pt1A N3A C11A C10A -4.1(6) . . . . ?
Pt1A N3A C11A C12A 173.7(3) . . . . ?
Pt1B N1B C1B O1B 4.9(6) . . . . ?
Pt1B N1B C1B C2B -178.5(3) . . . . ?
Pt1B N1B C4B C3B 179.7(3) . . . . ?
Pt1B N1B C4B C5B -2.7(6) . . . . ?
Pt1B N3B C14B O2B -3.1(6) . . . . ?
Pt1B N3B C14B C13B 179.2(3) . . . . ?
Pt1B N3B C11B C12B -179.8(3) . . . . ?
Pt1B N3B C11B C10B 0.7(6) . . . . ?
Pt1B N2B C9B C10B -0.9(8) . . . . ?
Pt1B N2B C9B C8B 163.5(5) . . . . ?
Pt1B N2B C9B C8BB -168.9(5) . . . . ?
Pt1B N2B C6B C5B 2.2(8) . . . . ?
Pt1B N2B C6B C7B -164.2(5) . . . . ?
Pt1B N2B C6B C7BB 168.5(5) . . . . ?
N2A C9A C10A C11A -2.1(6) . . . . ?
N2A C9A C8A C7A -1.0(4) . . . . ?
N2A C9A C8A C20A 176.1(3) . . . . ?
N2A C6A C7A C8A 1.1(4) . . . . ?
N2A C6A C7A C18A -176.6(3) . . . . ?
O2A C14A C13A C12A 179.8(4) . . . . ?
O2A C14A C13A C23A -2.6(7) . . . . ?
O2B C14B C13B C12B -174.2(4) . . . . ?
O2B C14B C13B C23B 5.7(7) . . . . ?
O1B C1B C2B C3B 172.3(4) . . . . ?
O1B C1B C2B C15B -7.9(7) . . . . ?
N1B C1B C2B C3B -4.1(5) . . . . ?
N1B C1B C2B C15B 175.6(4) . . . . ?
N1B C4B C3B C2B 1.1(5) . . . . ?
N1B C4B C3B C17B 179.6(4) . . . . ?
N1B C4B C5B C6B -0.9(8) . . . . ?
N1A C4A C3A C2A 3.1(5) . . . . ?
N1A C4A C3A C17A 179.9(4) . . . . ?
N3A C14A C13A C12A 0.0(5) . . . . ?
N3A C14A C13A C23A 177.6(4) . . . . ?
N3A C11A C12A C13A -1.8(5) . . . . ?
N3A C11A C12A C22A -179.3(4) . . . . ?
N3B C14B C13B C12B 3.5(5) . . . . ?
N3B C14B C13B C23B -176.6(4) . . . . ?
C9A N2A C6A C5A 178.7(4) . . . . ?
C9A N2A C6A C7A -1.7(4) . . . . ?
C9A C10A C11A N3A 7.0(6) . . . . ?
C9A C10A C11A C12A -170.6(4) . . . . ?
C9A C8A C20A C21A -75.9(5) . . . . ?
C5A C4A C3A C2A -174.0(4) . . . . ?
C5A C4A C3A C17A 2.8(6) . . . . ?
C5A C6A C7A C8A -179.2(4) . . . . ?
C5A C6A C7A C18A 3.1(6) . . . . ?
N2B C9B C8B C7B 8.3(10) . . . . ?
N2B C9B C8B C20B -178.6(9) . . . . ?
N2B C9B C8BB C7BB -8.9(11) . . . . ?
N2B C9B C8BB C1 176.8(9) . . . . ?
N2B C6B C7B C8B -7.5(9) . . . . ?
N2B C6B C7B C18B 178.0(8) . . . . ?
N2B C6B C7BB C8BB 8.9(11) . . . . ?
N2B C6B C7BB C3 -174.7(9) . . . . ?
C4A N1A C1A O1A -176.0(4) . . . . ?
C4A N1A C1A C2A 3.1(4) . . . . ?
C4A C5A C6A N2A 3.9(6) . . . . ?
C4A C5A C6A C7A -175.8(4) . . . . ?
C10A C9A C8A C7A 178.6(4) . . . . ?
C10A C9A C8A C20A -4.3(6) . . . . ?
C10A C11A C12A C13A 176.1(4) . . . . ?
C10A C11A C12A C22A -1.4(6) . . . . ?
C6A N2A C9A C10A -178.0(4) . . . . ?
C6A N2A C9A C8A 1.6(4) . . . . ?
C6A C5A C4A N1A -8.1(6) . . . . ?
C6A C5A C4A C3A 168.7(4) . . . . ?
C6A C7A C8A C9A -0.1(4) . . . . ?
C6A C7A C8A C20A -176.9(4) . . . . ?
C6A C7A C18A C19A 78.0(5) . . . . ?
C1B N1B C4B C3B -3.5(4) . . . . ?
C1B N1B C4B C5B 174.0(4) . . . . ?
C1B C2B C15B C16B -76.9(6) . . . . ?
C14A N3A C11A C10A -176.1(4) . . . . ?
C14A N3A C11A C12A 1.7(4) . . . . ?
C14A C13A C12A C11A 1.0(4) . . . . ?
C14A C13A C12A C22A 178.2(4) . . . . ?
C14A C13A C23A C24A -77.8(5) . . . . ?
C4B N1B C1B O1B -171.8(4) . . . . ?
C4B N1B C1B C2B 4.7(4) . . . . ?
C4B C3B C2B C1B 1.9(5) . . . . ?
C4B C3B C2B C15B -177.9(5) . . . . ?
C4B C5B C6B N2B 1.2(9) . . . . ?
C4B C5B C6B C7B 165.2(6) . . . . ?
C4B C5B C6B C7BB -163.5(7) . . . . ?
C7A C8A C20A C21A 100.5(5) . . . . ?
C11A N3A C14A O2A 179.1(4) . . . . ?
C11A N3A C14A C13A -1.1(4) . . . . ?
C1A N1A C4A C5A 173.4(4) . . . . ?
C1A N1A C4A C3A -3.7(4) . . . . ?
C1A C2A C3A C4A -0.9(5) . . . . ?
C1A C2A C3A C17A -177.5(4) . . . . ?
C1A C2A C15A C16A 98.8(5) . . . . ?
C8A C9A C10A C11A 178.3(4) . . . . ?
C8A C7A C18A C19A -99.1(5) . . . . ?
C3A C2A C1A O1A 177.8(4) . . . . ?
C3A C2A C1A N1A -1.3(5) . . . . ?
C3A C2A C15A C16A -75.5(7) . . . . ?
C14B N3B C11B C12B 4.1(4) . . . . ?
C14B N3B C11B C10B -175.3(4) . . . . ?
C14B C13B C23B C24B 91.7(6) . . . . ?
C3B C4B C5B C6B 176.4(5) . . . . ?
C3B C2B C15B C16B 102.9(6) . . . . ?
C18A C7A C8A C9A 177.5(4) . . . . ?
C18A C7A C8A C20A 0.6(7) . . . . ?
C5B C4B C3B C2B -176.5(4) . . . . ?
C5B C4B C3B C17B 2.0(7) . . . . ?
C5B C6B C7B C8B -174.1(7) . . . . ?
C5B C6B C7B C18B 11.4(12) . . . . ?
C5B C6B C7BB C8BB 175.9(8) . . . . ?
C5B C6B C7BB C3 -7.7(14) . . . . ?
C12A C13A C23A C24A 99.2(6) . . . . ?
C12B C13B C23B C24B -88.5(7) . . . . ?
C10B C9B C8B C7B 173.4(7) . . . . ?
C10B C9B C8B C20B -13.5(14) . . . . ?
C10B C9B C8BB C7BB -176.9(8) . . . . ?
C10B C9B C8BB C1 8.9(14) . . . . ?
C13B C12B C11B N3B -2.1(5) . . . . ?
C13B C12B C11B C10B 177.4(5) . . . . ?
C11B N3B C14B O2B 173.0(4) . . . . ?
C11B N3B C14B C13B -4.7(4) . . . . ?
C11B C12B C13B C14B -1.0(5) . . . . ?
C11B C12B C13B C23B 179.2(5) . . . . ?
C11B C10B C9B N2B -0.7(9) . . . . ?
C11B C10B C9B C8B -163.2(6) . . . . ?
C11B C10B C9B C8BB 165.1(7) . . . . ?
C9B N2B C6B C5B 178.9(5) . . . . ?
C9B N2B C6B C7B 12.6(6) . . . . ?
C9B N2B C6B C7BB -14.8(7) . . . . ?
C9B C10B C11B N3B 0.8(8) . . . . ?
C9B C10B C11B C12B -178.6(5) . . . . ?
C9B C8B C20B C21B -92.7(13) . . . . ?
C9B C8BB C7BB C6B 0.1(12) . . . . ?
C9B C8BB C7BB C3 -176.1(10) . . . . ?
C9B C8BB C1 C2 67.6(12) . . . . ?
C23A C13A C12A C11A -176.3(4) . . . . ?
C23A C13A C12A C22A 1.0(8) . . . . ?
C17B C3B C2B C1B -176.5(4) . . . . ?
C17B C3B C2B C15B 3.7(9) . . . . ?
C15A C2A C1A O1A 2.4(7) . . . . ?
C15A C2A C1A N1A -176.7(4) . . . . ?
C15A C2A C3A C4A 174.0(4) . . . . ?
C15A C2A C3A C17A -2.5(8) . . . . ?
C6B N2B C9B C10B -177.7(5) . . . . ?
C6B N2B C9B C8B -13.3(7) . . . . ?
C6B N2B C9B C8BB 14.4(7) . . . . ?
C6B C7B C8B C9B -0.4(10) . . . . ?
C6B C7B C8B C20B -173.2(10) . . . . ?
C6B C7B C18B C19B 65.9(12) . . . . ?
C6B C7BB C3 C4 -73.5(13) . . . . ?
C22B C12B C13B C14B 178.1(5) . . . . ?
C22B C12B C13B C23B -1.7(9) . . . . ?
C22B C12B C11B N3B 178.8(4) . . . . ?
C22B C12B C11B C10B -1.8(7) . . . . ?
C7B C8B C20B C21B 78.7(15) . . . . ?
C8B C7B C18B C19B -107.4(13) . . . . ?
C8BB C7BB C3 C4 102.0(15) . . . . ?
C7BB C8BB C1 C2 -105.5(14) . . . . ?
C1 C8BB C7BB C6B 174.1(10) . . . . ?
C1 C8BB C7BB C3 -2(2) . . . . ?
C18B C7B C8B C9B 173.6(9) . . . . ?
C18B C7B C8B C20B 0.9(19) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.011 0.168 0.098 22.4 5.7 ?
2 0.075 0.238 0.730 16.7 1.0 ?
3 -0.075 0.762 0.270 16.7 1.1 ?
4 -0.011 0.832 0.902 22.4 6.0 ?
5 0.398 0.250 0.018 9.8 0.4 ?
6 0.602 0.750 0.982 9.8 0.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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_mo_pttd2tbunc1_0m
_database_code_depnum_ccdc_archive 'CCDC 2182030'
loop_
_audit_author_name
_audit_author_address
'Clayton Curtis'
;The University of Arizona
United States of America
;
_audit_update_record             
;
2022-06-27 deposited with the CCDC.	2023-04-20 downloaded from the CCDC.
;
_audit_creation_date             2022-06-14
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H37 N4 O2 Pt'
_chemical_formula_sum            'C29 H37 N4 O2 Pt'
_chemical_formula_weight         668.71
_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.4084(9)
_cell_length_b                   9.6436(6)
_cell_length_c                   25.018(2)
_cell_angle_alpha                90
_cell_angle_beta                 101.878(4)
_cell_angle_gamma                90
_cell_volume                     2693.5(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5030
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      24.51
_cell_measurement_theta_min      2.69
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    5.242
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6293
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0684 before and 0.0561 after correction.
The Ratio of minimum to maximum transmission is 0.8445.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic blue'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.138
_exptl_crystal_size_mid          0.135
_exptl_crystal_size_min          0.087
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_unetI/netI     0.0471
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            25951
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         2.201
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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                3777
_reflns_number_total             4756
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4756
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0292
_refine_ls_restrained_S_all      1.013
_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)+(0.0304P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0654
_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. Others
 Sof(Pt2)=1-FVAR(1)
 Sof(Pt1)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C18(H18A,H18B), C20(H20A,H20B), C23(H23A,H23B)
3.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C5(H5)
3.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C), C21(H21A,H21B,
 H21C), C16(H16A,H16B,H16C), C19(H19A,H19B,H19C), C27(H27A,H27B,H27C), C28(H28A,
 H28B,H28C), C29(H29A,H29B,H29C)
;
_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 0.32452(2) 0.35807(2) 0.46343(2) 0.02152(7) Uani 0.9487(10) 1 d . . P A
1
O1 O 0.0790(3) 0.5069(3) 0.37969(15) 0.0364(9) Uani 1 1 d . . . . .
N1 N 0.1950(4) 0.4999(4) 0.46949(17) 0.0264(10) Uani 1 1 d . . . . .
N2 N 0.4153(4) 0.4116(4) 0.53944(16) 0.0275(10) Uani 1 1 d . . . . .
N3 N 0.4613(4) 0.2285(4) 0.45583(17) 0.0285(10) Uani 1 1 d . . . . .
O2 O 0.4022(3) 0.1480(4) 0.36568(17) 0.0511(11) Uani 1 1 d . . . . .
C10 C 0.5907(4) 0.2598(5) 0.5456(2) 0.0269(12) Uani 1 1 d . . . . .
H10 H 0.664537 0.232423 0.568179 0.032 Uiso 1 1 calc R U . . .
C9 C 0.5240(5) 0.3596(5) 0.5670(2) 0.0297(12) Uani 1 1 d . . . . .
C11 C 0.5606(4) 0.1986(5) 0.4961(2) 0.0279(12) Uani 1 1 d . . . . .
N4 N 0.1654(4) 0.2406(4) 0.35838(19) 0.0324(10) Uani 1 1 d . . . . .
C5 C 0.2676(5) 0.5722(5) 0.5640(2) 0.0303(12) Uani 1 1 d . . . . .
H5 H 0.247900 0.625939 0.592723 0.036 Uiso 1 1 calc R U . . .
C25 C 0.2289(4) 0.2903(5) 0.3963(2) 0.0272(12) Uani 1 1 d . . . . .
C12 C 0.6333(5) 0.0910(5) 0.4768(2) 0.0300(12) Uani 1 1 d . . . . .
C4 C 0.1872(4) 0.5753(5) 0.5150(2) 0.0273(11) Uani 1 1 d . . . . .
C6 C 0.3757(5) 0.4985(5) 0.5763(2) 0.0287(12) Uani 1 1 d . . . . .
C22 C 0.7460(5) 0.0305(5) 0.5123(2) 0.0364(13) Uani 1 1 d . . . . .
H22A H 0.806218 0.103722 0.521927 0.055 Uiso 1 1 calc R U . . .
H22B H 0.777577 -0.042882 0.492129 0.055 Uiso 1 1 calc R U . . .
H22C H 0.726798 -0.008234 0.545672 0.055 Uiso 1 1 calc R U . . .
C8 C 0.5540(5) 0.4181(5) 0.6216(2) 0.0338(13) Uani 1 1 d . . . . .
C1 C 0.0985(4) 0.5442(5) 0.4279(2) 0.0297(12) Uani 1 1 d . . . . .
C3 C 0.0794(5) 0.6643(5) 0.5041(2) 0.0300(12) Uani 1 1 d . . . . .
C2 C 0.0260(5) 0.6451(5) 0.4522(2) 0.0305(12) Uani 1 1 d . . . . .
C7 C 0.4598(5) 0.5016(5) 0.6277(2) 0.0327(13) Uani 1 1 d . . . . .
C13 C 0.5817(5) 0.0583(5) 0.4256(2) 0.0334(13) Uani 1 1 d . . . . .
C17 C 0.0449(5) 0.7575(5) 0.5466(2) 0.0340(13) Uani 1 1 d . . . . .
H17A H 0.043728 0.703719 0.579753 0.051 Uiso 1 1 calc R U . . .
H17B H -0.034761 0.796517 0.532568 0.051 Uiso 1 1 calc R U . . .
H17C H 0.103404 0.832829 0.555258 0.051 Uiso 1 1 calc R U . . .
C14 C 0.4710(5) 0.1469(5) 0.4104(2) 0.0369(13) Uani 1 1 d . . . . .
C15 C -0.0810(5) 0.7150(5) 0.4185(2) 0.0351(13) Uani 1 1 d . . . . .
H15A H -0.138933 0.735578 0.441947 0.042 Uiso 1 1 calc R U . . .
H15B H -0.120168 0.650680 0.389436 0.042 Uiso 1 1 calc R U . . .
C18 C 0.4409(5) 0.5722(6) 0.6785(2) 0.0410(14) Uani 1 1 d . . . . .
H18A H 0.400702 0.662455 0.668886 0.049 Uiso 1 1 calc R U . . .
H18B H 0.519408 0.590265 0.702908 0.049 Uiso 1 1 calc R U . . .
C20 C 0.6661(5) 0.3878(5) 0.6632(2) 0.0387(14) Uani 1 1 d . . . . .
H20A H 0.683706 0.467357 0.688644 0.046 Uiso 1 1 calc R U . . .
H20B H 0.733885 0.377961 0.644373 0.046 Uiso 1 1 calc R U . . .
C24 C 0.6466(5) 0.0216(6) 0.3354(2) 0.0485(16) Uani 1 1 d . . . . .
H24A H 0.661869 -0.052024 0.310698 0.073 Uiso 1 1 calc R U . . .
H24B H 0.718523 0.078841 0.346149 0.073 Uiso 1 1 calc R U . . .
H24C H 0.579993 0.079476 0.316707 0.073 Uiso 1 1 calc R U . . .
C23 C 0.6141(5) -0.0435(5) 0.3865(2) 0.0419(15) Uani 1 1 d . . . . .
H23A H 0.545805 -0.107614 0.374848 0.050 Uiso 1 1 calc R U . . .
H23B H 0.682978 -0.099088 0.405636 0.050 Uiso 1 1 calc R U . . .
C26 C 0.1028(5) 0.1957(6) 0.3042(2) 0.0400(14) Uani 1 1 d . . . . .
C21 C 0.6568(5) 0.2573(6) 0.6959(2) 0.0485(16) Uani 1 1 d . . . . .
H21A H 0.647821 0.176717 0.671501 0.073 Uiso 1 1 calc R U . . .
H21B H 0.587086 0.263998 0.712973 0.073 Uiso 1 1 calc R U . . .
H21C H 0.729580 0.246780 0.724244 0.073 Uiso 1 1 calc R U . . .
C16 C -0.0510(5) 0.8466(5) 0.3928(2) 0.0459(15) Uani 1 1 d . . . . .
H16A H 0.003136 0.826487 0.368045 0.069 Uiso 1 1 calc R U . . .
H16B H -0.011928 0.910842 0.421305 0.069 Uiso 1 1 calc R U . . .
H16C H -0.124689 0.888916 0.372142 0.069 Uiso 1 1 calc R U . . .
C19 C 0.3641(6) 0.4821(7) 0.7084(3) 0.0584(18) Uani 1 1 d . . . . .
H19A H 0.282379 0.476555 0.686578 0.088 Uiso 1 1 calc R U . . .
H19B H 0.362403 0.523371 0.743998 0.088 Uiso 1 1 calc R U . . .
H19C H 0.398486 0.388728 0.713638 0.088 Uiso 1 1 calc R U . . .
C27 C 0.1373(6) 0.0456(6) 0.2975(3) 0.0585(19) Uani 1 1 d . . . . .
H27A H 0.224539 0.038262 0.302638 0.088 Uiso 1 1 calc R U . . .
H27B H 0.099951 0.013371 0.260799 0.088 Uiso 1 1 calc R U . . .
H27C H 0.109502 -0.011738 0.324782 0.088 Uiso 1 1 calc R U . . .
C28 C 0.1443(6) 0.2884(7) 0.2630(3) 0.067(2) Uani 1 1 d . . . . .
H28A H 0.125385 0.385114 0.269779 0.101 Uiso 1 1 calc R U . . .
H28B H 0.103457 0.261800 0.226048 0.101 Uiso 1 1 calc R U . . .
H28C H 0.231053 0.278362 0.266466 0.101 Uiso 1 1 calc R U . . .
C29 C -0.0321(5) 0.2104(7) 0.3014(3) 0.0553(17) Uani 1 1 d . . . . .
H29A H -0.056247 0.148502 0.328265 0.083 Uiso 1 1 calc R U . . .
H29B H -0.075878 0.185585 0.264692 0.083 Uiso 1 1 calc R U . . .
H29C H -0.050549 0.306495 0.309400 0.083 Uiso 1 1 calc R U . . .
Pt2 Pt 0.3253(4) 0.1410(5) 0.4602(2) 0.053(2) Uani 0.0513(10) 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.042(4) . ?
Pt1 N2 2.036(4) . ?
Pt1 N3 2.039(4) . ?
Pt1 C25 1.920(6) . ?
O1 C1 1.235(6) . ?
N1 C4 1.369(6) . ?
N1 C1 1.416(6) . ?
N2 C9 1.382(6) . ?
N2 C6 1.389(6) . ?
N3 C11 1.383(6) . ?
N3 C14 1.406(6) . ?
N3 Pt2 1.790(6) . ?
O2 C14 1.226(7) . ?
C10 H10 0.9500 . ?
C10 C9 1.399(7) . ?
C10 C11 1.351(7) . ?
C9 C8 1.452(7) . ?
C11 C12 1.471(7) . ?
N4 C25 1.170(6) . ?
N4 C26 1.462(7) . ?
C5 H5 0.9500 . ?
C5 C4 1.372(7) . ?
C5 C6 1.401(7) . ?
C25 Pt2 2.262(7) . ?
C12 C22 1.519(7) . ?
C12 C13 1.335(7) . ?
C4 C3 1.478(7) . ?
C6 C7 1.438(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 Pt2 2.025(7) 3_656 ?
C8 C7 1.376(7) . ?
C8 C20 1.503(7) . ?
C1 C2 1.485(7) . ?
C3 C2 1.329(7) . ?
C3 C17 1.505(7) . ?
C2 C15 1.493(7) . ?
C7 C18 1.497(7) . ?
C13 C14 1.508(7) . ?
C13 C23 1.484(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C14 Pt2 2.275(7) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.494(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C19 1.533(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.516(7) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C23 1.537(8) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C26 C27 1.518(8) . ?
C26 C28 1.512(8) . ?
C26 C29 1.533(8) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 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 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Pt1 N1 89.88(16) . . ?
N2 Pt1 N3 89.44(16) . . ?
N3 Pt1 N1 175.67(15) . . ?
C25 Pt1 N1 90.20(18) . . ?
C25 Pt1 N2 172.76(17) . . ?
C25 Pt1 N3 91.02(18) . . ?
C4 N1 Pt1 126.1(3) . . ?
C4 N1 C1 106.0(4) . . ?
C1 N1 Pt1 127.8(3) . . ?
C9 N2 Pt1 127.3(3) . . ?
C9 N2 C6 105.6(4) . . ?
C6 N2 Pt1 126.9(3) . . ?
C11 N3 Pt1 126.0(3) . . ?
C11 N3 C14 106.5(4) . . ?
C11 N3 Pt2 116.6(4) . . ?
C14 N3 Pt1 127.4(4) . . ?
C14 N3 Pt2 90.0(3) . . ?
C9 C10 H10 116.7 . . ?
C11 C10 H10 116.7 . . ?
C11 C10 C9 126.6(5) . . ?
N2 C9 C10 124.1(5) . . ?
N2 C9 C8 110.0(5) . . ?
C10 C9 C8 125.8(5) . . ?
N3 C11 C12 109.9(4) . . ?
C10 C11 N3 126.3(5) . . ?
C10 C11 C12 123.7(5) . . ?
C25 N4 C26 167.2(5) . . ?
C4 C5 H5 116.4 . . ?
C4 C5 C6 127.1(5) . . ?
C6 C5 H5 116.4 . . ?
N4 C25 Pt1 173.5(4) . . ?
N4 C25 Pt2 116.2(4) . . ?
C11 C12 C22 123.1(5) . . ?
C13 C12 C11 108.4(5) . . ?
C13 C12 C22 128.5(5) . . ?
N1 C4 C5 125.8(5) . . ?
N1 C4 C3 110.4(4) . . ?
C5 C4 C3 123.7(5) . . ?
N2 C6 C5 123.6(5) . . ?
N2 C6 C7 110.9(4) . . ?
C5 C6 C7 125.5(5) . . ?
C12 C22 H22A 109.5 . . ?
C12 C22 H22B 109.5 . . ?
C12 C22 H22C 109.5 . . ?
C12 C22 Pt2 99.3(3) . 3_656 ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Pt2 C22 H22A 144.6 3_656 . ?
Pt2 C22 H22B 78.5 3_656 . ?
Pt2 C22 H22C 39.0 3_656 . ?
C9 C8 C20 125.3(5) . . ?
C7 C8 C9 107.0(5) . . ?
C7 C8 C20 127.6(5) . . ?
O1 C1 N1 125.9(4) . . ?
O1 C1 C2 125.9(5) . . ?
N1 C1 C2 108.2(4) . . ?
C4 C3 C17 123.0(5) . . ?
C2 C3 C4 107.2(4) . . ?
C2 C3 C17 129.8(5) . . ?
C1 C2 C15 121.7(5) . . ?
C3 C2 C1 108.0(5) . . ?
C3 C2 C15 130.2(5) . . ?
C6 C7 C18 125.7(5) . . ?
C8 C7 C6 106.4(5) . . ?
C8 C7 C18 127.7(5) . . ?
C12 C13 C14 106.8(5) . . ?
C12 C13 C23 132.0(5) . . ?
C23 C13 C14 121.2(5) . . ?
C3 C17 H17A 109.5 . . ?
C3 C17 H17B 109.5 . . ?
C3 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N3 C14 C13 108.3(5) . . ?
N3 C14 Pt2 51.9(3) . . ?
O2 C14 N3 126.2(5) . . ?
O2 C14 C13 125.5(5) . . ?
O2 C14 Pt2 95.6(4) . . ?
C13 C14 Pt2 121.1(4) . . ?
C2 C15 H15A 108.9 . . ?
C2 C15 H15B 108.9 . . ?
C2 C15 C16 113.2(5) . . ?
H15A C15 H15B 107.8 . . ?
C16 C15 H15A 108.9 . . ?
C16 C15 H15B 108.9 . . ?
C7 C18 H18A 109.5 . . ?
C7 C18 H18B 109.5 . . ?
C7 C18 C19 110.6(5) . . ?
H18A C18 H18B 108.1 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
C8 C20 H20A 109.0 . . ?
C8 C20 H20B 109.0 . . ?
C8 C20 C21 113.0(5) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
C13 C23 C24 114.4(4) . . ?
C13 C23 H23A 108.7 . . ?
C13 C23 H23B 108.7 . . ?
C24 C23 H23A 108.7 . . ?
C24 C23 H23B 108.7 . . ?
H23A C23 H23B 107.6 . . ?
N4 C26 C27 107.2(5) . . ?
N4 C26 C28 107.2(5) . . ?
N4 C26 C29 108.0(5) . . ?
C27 C26 C29 111.3(5) . . ?
C28 C26 C27 111.4(5) . . ?
C28 C26 C29 111.5(5) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N3 Pt2 C25 87.6(3) . . ?
N3 Pt2 C22 145.1(4) . 3_656 ?
N3 Pt2 H22C 140.9(9) . 3_656 ?
N3 Pt2 C14 38.2(2) . . ?
C25 Pt2 H22C 111.8(5) . 3_656 ?
C25 Pt2 C14 84.2(3) . . ?
C22 Pt2 C25 126.1(3) 3_656 . ?
C22 Pt2 H22C 26.0(10) 3_656 3_656 ?
C22 Pt2 C14 126.6(3) 3_656 . ?
C14 Pt2 H22C 107.8(11) . 3_656 ?

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 C4 C5 2.5(7) . . . . ?
Pt1 N1 C4 C3 -178.4(3) . . . . ?
Pt1 N1 C1 O1 -2.7(7) . . . . ?
Pt1 N1 C1 C2 178.2(3) . . . . ?
Pt1 N2 C9 C10 0.8(7) . . . . ?
Pt1 N2 C9 C8 -176.1(3) . . . . ?
Pt1 N2 C6 C5 -5.3(7) . . . . ?
Pt1 N2 C6 C7 174.6(3) . . . . ?
Pt1 N3 C11 C10 -7.1(7) . . . . ?
Pt1 N3 C11 C12 174.7(3) . . . . ?
Pt1 N3 C14 O2 6.0(8) . . . . ?
Pt1 N3 C14 C13 -174.7(3) . . . . ?
O1 C1 C2 C3 -176.3(5) . . . . ?
O1 C1 C2 C15 -0.9(8) . . . . ?
N1 C4 C3 C2 -1.9(6) . . . . ?
N1 C4 C3 C17 178.8(4) . . . . ?
N1 C1 C2 C3 2.8(5) . . . . ?
N1 C1 C2 C15 178.2(4) . . . . ?
N2 C9 C8 C7 2.5(6) . . . . ?
N2 C9 C8 C20 -179.0(5) . . . . ?
N2 C6 C7 C8 1.7(6) . . . . ?
N2 C6 C7 C18 -173.4(5) . . . . ?
N3 C11 C12 C22 -177.4(4) . . . . ?
N3 C11 C12 C13 1.6(6) . . . . ?
C10 C9 C8 C7 -174.3(5) . . . . ?
C10 C9 C8 C20 4.2(8) . . . . ?
C10 C11 C12 C22 4.3(8) . . . . ?
C10 C11 C12 C13 -176.8(5) . . . . ?
C9 N2 C6 C5 180.0(5) . . . . ?
C9 N2 C6 C7 -0.1(5) . . . . ?
C9 C10 C11 N3 3.9(8) . . . . ?
C9 C10 C11 C12 -178.0(5) . . . . ?
C9 C8 C7 C6 -2.5(6) . . . . ?
C9 C8 C7 C18 172.5(5) . . . . ?
C9 C8 C20 C21 -84.6(7) . . . . ?
C11 N3 C14 O2 -177.1(5) . . . . ?
C11 N3 C14 C13 2.2(5) . . . . ?
C11 N3 C14 Pt2 117.8(4) . . . . ?
C11 N3 Pt2 C25 167.7(4) . . . . ?
C11 N3 Pt2 C22 -26.3(8) . . . 3_656 ?
C11 N3 Pt2 C14 -108.5(5) . . . . ?
C11 C10 C9 N2 -0.5(8) . . . . ?
C11 C10 C9 C8 175.9(5) . . . . ?
C11 C12 C22 Pt2 95.8(5) . . . 3_656 ?
C11 C12 C13 C14 -0.1(6) . . . . ?
C11 C12 C13 C23 -179.0(5) . . . . ?
C5 C4 C3 C2 177.2(5) . . . . ?
C5 C4 C3 C17 -2.1(7) . . . . ?
C5 C6 C7 C8 -178.4(5) . . . . ?
C5 C6 C7 C18 6.5(8) . . . . ?
C25 N4 C26 C27 106(2) . . . . ?
C25 N4 C26 C28 -13(2) . . . . ?
C25 N4 C26 C29 -134(2) . . . . ?
C12 C13 C14 N3 -1.3(6) . . . . ?
C12 C13 C14 O2 178.0(5) . . . . ?
C12 C13 C14 Pt2 -57.3(5) . . . . ?
C12 C13 C23 C24 -115.6(7) . . . . ?
C4 N1 C1 O1 175.2(5) . . . . ?
C4 N1 C1 C2 -3.9(5) . . . . ?
C4 C5 C6 N2 -2.3(8) . . . . ?
C4 C5 C6 C7 177.8(5) . . . . ?
C4 C3 C2 C1 -0.6(5) . . . . ?
C4 C3 C2 C15 -175.4(5) . . . . ?
C6 N2 C9 C10 175.5(4) . . . . ?
C6 N2 C9 C8 -1.4(5) . . . . ?
C6 C5 C4 N1 3.8(8) . . . . ?
C6 C5 C4 C3 -175.1(5) . . . . ?
C6 C7 C18 C19 80.6(7) . . . . ?
C22 C12 C13 C14 178.8(5) . . . . ?
C22 C12 C13 C23 -0.1(9) . . . . ?
C8 C7 C18 C19 -93.4(7) . . . . ?
C1 N1 C4 C5 -175.5(5) . . . . ?
C1 N1 C4 C3 3.6(5) . . . . ?
C1 C2 C15 C16 -88.4(6) . . . . ?
C3 C2 C15 C16 85.8(7) . . . . ?
C7 C8 C20 C21 93.6(7) . . . . ?
C13 C12 C22 Pt2 -82.9(6) . . . 3_656 ?
C17 C3 C2 C1 178.7(5) . . . . ?
C17 C3 C2 C15 3.8(9) . . . . ?
C14 N3 C11 C10 175.9(5) . . . . ?
C14 N3 C11 C12 -2.3(5) . . . . ?
C14 N3 Pt2 C25 -83.7(3) . . . . ?
C14 N3 Pt2 C22 82.2(7) . . . 3_656 ?
C14 C13 C23 C24 65.6(7) . . . . ?
C20 C8 C7 C6 179.1(5) . . . . ?
C20 C8 C7 C18 -6.0(9) . . . . ?
C23 C13 C14 N3 177.7(4) . . . . ?
C23 C13 C14 O2 -2.9(8) . . . . ?
C23 C13 C14 Pt2 121.8(5) . . . . ?
C26 N4 C25 Pt2 -124(2) . . . . ?
Pt2 N3 C11 C10 -85.6(6) . . . . ?
Pt2 N3 C11 C12 96.1(4) . . . . ?
Pt2 N3 C14 O2 65.1(6) . . . . ?
Pt2 N3 C14 C13 -115.6(4) . . . . ?

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