# Electronic Supplementary Material (ESI) for Chemical Science.
# 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_4a
_database_code_depnum_ccdc_archive 'CCDC 2205917'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2022-09-07 deposited with the CCDC.	2023-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C42 H50 N4 Pt'
_chemical_formula_weight         805.95

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.974(5)
_cell_length_b                   13.582(6)
_cell_length_c                   14.781(7)
_cell_angle_alpha                94.400(6)
_cell_angle_beta                 104.251(5)
_cell_angle_gamma                106.946(5)
_cell_volume                     1832.5(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    9970
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      26.52

_exptl_crystal_description       Block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_F_000             816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.370
_exptl_crystal_size_min          0.140
_exptl_absorpt_coefficient_mu    3.863
_shelx_estimated_absorpt_T_min   0.248
_shelx_estimated_absorpt_T_max   0.614
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.563541
_exptl_absorpt_correction_T_max  0.745553
_exptl_absorpt_process_details   twinabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            8385
_diffrn_reflns_av_unetI/netI     0.0393
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.440
_diffrn_reflns_theta_max         27.560
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             8385
_reflns_number_gt                8070
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 Refined as a 2-component twin. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0409P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8385
_refine_ls_number_parameters     439
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0696
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_restrained_S_all      1.136
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.34274(2) 0.68493(2) 0.27393(2) 0.01268(5) Uani 1 1 d . . . . .
N1 N 0.6563(4) 0.6964(4) 0.3367(3) 0.0173(8) Uani 1 1 d D . . . .
H1 H 0.743(3) 0.706(4) 0.375(3) 0.021 Uiso 1 1 d D U . . .
N2 N 0.5485(4) 0.6860(4) 0.4568(3) 0.0163(8) Uani 1 1 d . . . . .
N3 N 0.0472(4) 0.7081(4) 0.2217(3) 0.0186(10) Uani 1 1 d D . . . .
H3 H -0.035(4) 0.718(4) 0.191(3) 0.022 Uiso 1 1 d D U . . .
N4 N 0.1332(4) 0.6918(5) 0.0943(3) 0.0175(9) Uani 1 1 d . . . . .
C1 C 0.5354(4) 0.6892(5) 0.3657(3) 0.0144(9) Uani 1 1 d . . . . .
C2 C 0.1535(5) 0.6926(5) 0.1867(3) 0.0133(9) Uani 1 1 d . . . . .
C10 C 0.4229(5) 0.8362(4) 0.2651(3) 0.0165(9) Uani 1 1 d . . . . .
C11 C 0.5118(5) 1.0263(4) 0.2221(3) 0.0175(9) Uani 1 1 d . . . . .
C12 C 0.4899(5) 1.0404(4) 0.1275(3) 0.0218(10) Uani 1 1 d . . . . .
H12 H 0.4426 0.9813 0.0791 0.026 Uiso 1 1 calc R U . . .
C13 C 0.5352(6) 1.1379(4) 0.1027(4) 0.0277(12) Uani 1 1 d . . . . .
H13 H 0.5190 1.1453 0.0379 0.033 Uiso 1 1 calc R U . . .
C14 C 0.6041(6) 1.2248(4) 0.1718(4) 0.0272(12) Uani 1 1 d . . . . .
H14 H 0.6363 1.2922 0.1553 0.033 Uiso 1 1 calc R U . . .
C15 C 0.6252(6) 1.2119(4) 0.2649(4) 0.0267(12) Uani 1 1 d . . . . .
H15 H 0.6712 1.2714 0.3129 0.032 Uiso 1 1 calc R U . . .
C16 C 0.5812(5) 1.1146(4) 0.2903(4) 0.0220(11) Uani 1 1 d . . . . .
H16 H 0.5987 1.1079 0.3553 0.026 Uiso 1 1 calc R U . . .
C17 C 0.4624(5) 0.9228(4) 0.2458(3) 0.0196(10) Uani 1 1 d . . . . .
C20 C 0.2608(6) 0.5304(3) 0.2644(4) 0.0154(10) Uani 1 1 d . . . . .
C21 C 0.1590(5) 0.3232(3) 0.2296(3) 0.0162(7) Uani 1 1 d . . . . .
C22 C 0.2501(6) 0.2660(4) 0.2159(4) 0.0194(11) Uani 1 1 d . . . . .
H22 H 0.3501 0.3019 0.2226 0.023 Uiso 1 1 calc R U . . .
C23 C 0.1985(6) 0.1580(4) 0.1929(4) 0.0244(11) Uani 1 1 d . . . . .
H23 H 0.2620 0.1207 0.1828 0.029 Uiso 1 1 calc R U . . .
C24 C 0.0528(6) 0.1053(4) 0.1847(4) 0.0257(13) Uani 1 1 d . . . . .
H24 H 0.0174 0.0313 0.1702 0.031 Uiso 1 1 calc R U . . .
C25 C -0.0417(5) 0.1596(4) 0.1974(4) 0.0211(10) Uani 1 1 d . . . . .
H25 H -0.1416 0.1232 0.1907 0.025 Uiso 1 1 calc R U . . .
C26 C 0.0123(5) 0.2685(4) 0.2201(4) 0.0198(11) Uani 1 1 d . . . . .
H26 H -0.0516 0.3059 0.2292 0.024 Uiso 1 1 calc R U . . .
C27 C 0.2133(5) 0.4353(3) 0.2495(4) 0.0175(9) Uani 1 1 d . . . . .
C31 C 0.0525(5) 0.7133(4) 0.3213(3) 0.0157(10) Uani 1 1 d . . . . .
C32 C -0.0093(5) 0.6212(5) 0.3543(4) 0.0238(12) Uani 1 1 d . . . . .
C33 C -0.0062(6) 0.6297(5) 0.4486(4) 0.0312(14) Uani 1 1 d . . . . .
H33 H -0.0478 0.5687 0.4726 0.037 Uiso 1 1 calc R U . . .
C34 C 0.0561(7) 0.7248(6) 0.5097(4) 0.0383(18) Uani 1 1 d . . . . .
H34 H 0.0606 0.7280 0.5749 0.046 Uiso 1 1 calc R U . . .
C35 C 0.1104(6) 0.8133(5) 0.4743(4) 0.0334(14) Uani 1 1 d . . . . .
H35 H 0.1488 0.8785 0.5151 0.040 Uiso 1 1 calc R U . . .
C36 C 0.1111(6) 0.8106(4) 0.3807(4) 0.0226(11) Uani 1 1 d . . . . .
C37 C -0.0771(6) 0.5197(5) 0.2908(5) 0.0360(15) Uani 1 1 d . . . . .
H37A H -0.1367 0.4696 0.3212 0.054 Uiso 1 1 calc R U . . .
H37B H -0.0004 0.4939 0.2780 0.054 Uiso 1 1 calc R U . . .
H37C H -0.1389 0.5283 0.2313 0.054 Uiso 1 1 calc R U . . .
C38 C 0.1663(7) 0.9090(5) 0.3412(5) 0.0429(17) Uani 1 1 d . . . . .
H38A H 0.0869 0.9164 0.2908 0.064 Uiso 1 1 calc R U . . .
H38B H 0.2467 0.9053 0.3156 0.064 Uiso 1 1 calc R U . . .
H38C H 0.2012 0.9694 0.3917 0.064 Uiso 1 1 calc R U . . .
C41 C 0.6660(5) 0.7127(4) 0.2440(4) 0.0193(11) Uani 1 1 d . . . . .
C42 C 0.7318(5) 0.8142(4) 0.2296(4) 0.0206(11) Uani 1 1 d . . . . .
C43 C 0.7376(5) 0.8292(5) 0.1380(4) 0.0274(12) Uani 1 1 d . . . . .
H43 H 0.7789 0.8976 0.1260 0.033 Uiso 1 1 calc R U . . .
C44 C 0.6853(6) 0.7476(5) 0.0658(4) 0.0253(12) Uani 1 1 d . . . . .
H44 H 0.6893 0.7597 0.0039 0.030 Uiso 1 1 calc R U . . .
C45 C 0.6260(6) 0.6461(5) 0.0816(4) 0.0232(13) Uani 1 1 d . . . . .
H45 H 0.5920 0.5897 0.0307 0.028 Uiso 1 1 calc R U . . .
C46 C 0.6162(5) 0.6268(4) 0.1719(4) 0.0177(10) Uani 1 1 d . . . . .
C47 C 0.7935(5) 0.9035(4) 0.3103(3) 0.0243(11) Uani 1 1 d . . . . .
H47A H 0.8722 0.8915 0.3580 0.036 Uiso 1 1 calc R U . . .
H47B H 0.7163 0.9088 0.3387 0.036 Uiso 1 1 calc R U . . .
H47C H 0.8321 0.9684 0.2870 0.036 Uiso 1 1 calc R U . . .
C48 C 0.5510(6) 0.5178(5) 0.1880(4) 0.0250(12) Uani 1 1 d . . . . .
H48A H 0.5984 0.5103 0.2524 0.038 Uiso 1 1 calc R U . . .
H48B H 0.5658 0.4686 0.1424 0.038 Uiso 1 1 calc R U . . .
H48C H 0.4462 0.5032 0.1798 0.038 Uiso 1 1 calc R U . . .
C51 C 0.7766(6) 0.8155(4) 0.5619(4) 0.0256(12) Uani 1 1 d . . . . .
H51A H 0.7973 0.8480 0.5078 0.038 Uiso 1 1 calc R U . . .
H51B H 0.8687 0.8220 0.6087 0.038 Uiso 1 1 calc R U . . .
H51C H 0.7204 0.8504 0.5906 0.038 Uiso 1 1 calc R U . . .
C52 C 0.6879(5) 0.6997(4) 0.5284(3) 0.0189(10) Uani 1 1 d . . . . .
H52A H 0.7460 0.6641 0.5010 0.023 Uiso 1 1 calc R U . . .
H52B H 0.6675 0.6669 0.5832 0.023 Uiso 1 1 calc R U . . .
C53 C 0.3589(6) 0.5759(5) 0.5205(4) 0.0265(12) Uani 1 1 d . . . . .
H53A H 0.3078 0.5265 0.4616 0.040 Uiso 1 1 calc R U . . .
H53B H 0.2893 0.5797 0.5562 0.040 Uiso 1 1 calc R U . . .
H53C H 0.4356 0.5525 0.5585 0.040 Uiso 1 1 calc R U . . .
C54 C 0.4272(5) 0.6832(6) 0.4975(3) 0.0184(10) Uani 1 1 d . . . . .
H54A H 0.3517 0.7026 0.4521 0.022 Uiso 1 1 calc R U . . .
H54B H 0.4637 0.7353 0.5559 0.022 Uiso 1 1 calc R U . . .
C61 C 0.1995(6) 0.5662(5) -0.0025(4) 0.0354(15) Uani 1 1 d . . . . .
H61A H 0.1943 0.5179 0.0434 0.053 Uiso 1 1 calc R U . . .
H61B H 0.2725 0.5606 -0.0347 0.053 Uiso 1 1 calc R U . . .
H61C H 0.1039 0.5487 -0.0492 0.053 Uiso 1 1 calc R U . . .
C62 C 0.2424(5) 0.6765(6) 0.0483(3) 0.0230(12) Uani 1 1 d . . . . .
H62A H 0.3376 0.6930 0.0967 0.028 Uiso 1 1 calc R U . . .
H62B H 0.2544 0.7255 0.0024 0.028 Uiso 1 1 calc R U . . .
C63 C 0.0512(6) 0.8393(5) 0.0470(4) 0.0342(14) Uani 1 1 d . . . . .
H63A H 0.0562 0.8653 0.1118 0.051 Uiso 1 1 calc R U . . .
H63B H -0.0246 0.8578 0.0024 0.051 Uiso 1 1 calc R U . . .
H63C H 0.1457 0.8707 0.0351 0.051 Uiso 1 1 calc R U . . .
C64 C 0.0143(5) 0.7216(5) 0.0339(4) 0.0280(14) Uani 1 1 d . . . . .
H64A H -0.0776 0.6901 0.0504 0.034 Uiso 1 1 calc R U . . .
H64B H -0.0008 0.6945 -0.0332 0.034 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C20 1.998(5) . ?
Pt1 C10 2.004(5) . ?
Pt1 C1 2.043(4) . ?
Pt1 C2 2.043(4) . ?
N1 C1 1.357(5) . ?
N1 C41 1.426(6) . ?
N1 H1 0.873(19) . ?
N2 C1 1.326(6) . ?
N2 C54 1.471(5) . ?
N2 C52 1.477(6) . ?
N3 C2 1.349(5) . ?
N3 C31 1.454(6) . ?
N3 H3 0.883(19) . ?
N4 C2 1.328(5) . ?
N4 C62 1.471(5) . ?
N4 C64 1.477(6) . ?
C10 C17 1.207(6) . ?
C11 C16 1.386(7) . ?
C11 C12 1.398(6) . ?
C11 C17 1.448(6) . ?
C12 C13 1.379(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.373(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.379(8) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C20 C27 1.221(6) . ?
C21 C22 1.396(7) . ?
C21 C26 1.400(7) . ?
C21 C27 1.438(6) . ?
C22 C23 1.389(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(8) . ?
C23 H23 0.9500 . ?
C24 C25 1.393(7) . ?
C24 H24 0.9500 . ?
C25 C26 1.401(7) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C31 C32 1.406(7) . ?
C31 C36 1.407(7) . ?
C32 C33 1.381(8) . ?
C32 C37 1.478(8) . ?
C33 C34 1.396(10) . ?
C33 H33 0.9500 . ?
C34 C35 1.367(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(8) . ?
C35 H35 0.9500 . ?
C36 C38 1.511(8) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C41 C46 1.397(7) . ?
C41 C42 1.401(7) . ?
C42 C43 1.397(7) . ?
C42 C47 1.502(7) . ?
C43 C44 1.360(8) . ?
C43 H43 0.9500 . ?
C44 C45 1.395(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.402(7) . ?
C45 H45 0.9500 . ?
C46 C48 1.496(8) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C51 C52 1.534(8) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.522(9) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C61 C62 1.512(9) . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.517(9) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C20 Pt1 C10 172.4(2) . . ?
C20 Pt1 C1 91.9(2) . . ?
C10 Pt1 C1 91.5(2) . . ?
C20 Pt1 C2 92.2(2) . . ?
C10 Pt1 C2 84.7(2) . . ?
C1 Pt1 C2 175.47(16) . . ?
C1 N1 C41 123.9(4) . . ?
C1 N1 H1 124(3) . . ?
C41 N1 H1 111(3) . . ?
C1 N2 C54 121.8(4) . . ?
C1 N2 C52 124.2(4) . . ?
C54 N2 C52 113.5(4) . . ?
C2 N3 C31 123.8(4) . . ?
C2 N3 H3 129(3) . . ?
C31 N3 H3 108(3) . . ?
C2 N4 C62 121.2(4) . . ?
C2 N4 C64 123.1(4) . . ?
C62 N4 C64 115.0(4) . . ?
N2 C1 N1 116.7(4) . . ?
N2 C1 Pt1 121.5(3) . . ?
N1 C1 Pt1 121.8(3) . . ?
N4 C2 N3 116.3(4) . . ?
N4 C2 Pt1 122.3(3) . . ?
N3 C2 Pt1 121.1(3) . . ?
C17 C10 Pt1 170.5(4) . . ?
C16 C11 C12 117.3(4) . . ?
C16 C11 C17 122.5(4) . . ?
C12 C11 C17 120.2(4) . . ?
C13 C12 C11 121.5(5) . . ?
C13 C12 H12 119.2 . . ?
C11 C12 H12 119.2 . . ?
C12 C13 C14 120.2(5) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C13 118.7(6) . . ?
C15 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
C14 C15 C16 121.5(6) . . ?
C14 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C15 C16 C11 120.7(5) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C10 C17 C11 179.0(5) . . ?
C27 C20 Pt1 173.3(5) . . ?
C22 C21 C26 118.1(4) . . ?
C22 C21 C27 120.8(5) . . ?
C26 C21 C27 121.1(5) . . ?
C23 C22 C21 121.7(5) . . ?
C23 C22 H22 119.1 . . ?
C21 C22 H22 119.1 . . ?
C22 C23 C24 119.2(5) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C23 C24 C25 120.8(4) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C26 119.1(5) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C21 C26 C25 121.0(5) . . ?
C21 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C20 C27 C21 178.3(5) . . ?
C32 C31 C36 121.6(5) . . ?
C32 C31 N3 118.8(5) . . ?
C36 C31 N3 119.5(5) . . ?
C33 C32 C31 117.2(5) . . ?
C33 C32 C37 121.2(6) . . ?
C31 C32 C37 121.6(5) . . ?
C32 C33 C34 122.3(6) . . ?
C32 C33 H33 118.9 . . ?
C34 C33 H33 118.9 . . ?
C35 C34 C33 118.9(5) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C34 C35 C36 121.9(6) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C31 118.1(5) . . ?
C35 C36 C38 121.6(5) . . ?
C31 C36 C38 120.2(5) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C46 C41 C42 122.3(5) . . ?
C46 C41 N1 119.1(5) . . ?
C42 C41 N1 118.5(5) . . ?
C43 C42 C41 117.8(5) . . ?
C43 C42 C47 121.4(5) . . ?
C41 C42 C47 120.8(4) . . ?
C44 C43 C42 121.1(5) . . ?
C44 C43 H43 119.4 . . ?
C42 C43 H43 119.4 . . ?
C43 C44 C45 120.7(5) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C44 C45 C46 120.5(5) . . ?
C44 C45 H45 119.7 . . ?
C46 C45 H45 119.7 . . ?
C41 C46 C45 117.4(5) . . ?
C41 C46 C48 122.4(4) . . ?
C45 C46 C48 120.1(5) . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
N2 C52 C51 111.4(5) . . ?
N2 C52 H52A 109.3 . . ?
C51 C52 H52A 109.3 . . ?
N2 C52 H52B 109.3 . . ?
C51 C52 H52B 109.3 . . ?
H52A C52 H52B 108.0 . . ?
C54 C53 H53A 109.5 . . ?
C54 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C54 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 C53 111.8(5) . . ?
N2 C54 H54A 109.2 . . ?
C53 C54 H54A 109.2 . . ?
N2 C54 H54B 109.2 . . ?
C53 C54 H54B 109.2 . . ?
H54A C54 H54B 107.9 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
N4 C62 C61 112.3(5) . . ?
N4 C62 H62A 109.1 . . ?
C61 C62 H62A 109.1 . . ?
N4 C62 H62B 109.1 . . ?
C61 C62 H62B 109.1 . . ?
H62A C62 H62B 107.9 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N4 C64 C63 110.6(5) . . ?
N4 C64 H64A 109.5 . . ?
C63 C64 H64A 109.5 . . ?
N4 C64 H64B 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 108.1 . . ?

_refine_diff_density_max         1.207
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.148

####################################################################### 
# 
# 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_4d
_database_code_depnum_ccdc_archive 'CCDC 2205918'
loop_
_audit_author_name
_audit_author_address
'Thomas Teets'
;University of Houston
United States of America
;
_audit_update_record             
;
2022-09-07 deposited with the CCDC.	2023-04-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C38 H42 N4 Pt'
_chemical_formula_weight         749.84

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2266(16)
_cell_length_b                   9.9700(18)
_cell_length_c                   19.841(4)
_cell_angle_alpha                84.973(2)
_cell_angle_beta                 78.024(2)
_cell_angle_gamma                64.618(2)
_cell_volume                     1613.1(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6345
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      27.52

_exptl_crystal_description       Needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_F_000             752
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    4.382
_shelx_estimated_absorpt_T_min   0.335
_shelx_estimated_absorpt_T_max   0.694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5372
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21145
_diffrn_reflns_av_unetI/netI     0.0457
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.049
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6612
_reflns_number_gt                4995
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0110P)²+3.0585P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6612
_refine_ls_number_parameters     405
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0302
_refine_ls_wR_factor_ref         0.0601
_refine_ls_wR_factor_gt          0.0544
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.500000 0.000000 0.500000 0.01180(6) Uani 1 2 d S . P . .
N1 N 0.2088(4) 0.0188(4) 0.60368(17) 0.0154(8) Uani 1 1 d . . . . .
N2 N 0.1583(4) 0.2291(4) 0.53970(17) 0.0144(8) Uani 1 1 d D . . . .
H2 H 0.060(3) 0.260(5) 0.562(2) 0.017 Uiso 1 1 d D U . . .
C1 C 0.2655(5) 0.0911(5) 0.5529(2) 0.0162(9) Uani 1 1 d . . . . .
C2 C 0.0409(5) 0.0867(5) 0.6430(2) 0.0227(10) Uani 1 1 d . . . . .
H2A H 0.022529 0.179153 0.664291 0.034 Uiso 1 1 calc R U . . .
H2B H 0.024659 0.017982 0.679057 0.034 Uiso 1 1 calc R U . . .
H2C H -0.036315 0.108223 0.612037 0.034 Uiso 1 1 calc R U . . .
C3 C 0.3121(6) -0.1298(5) 0.6253(2) 0.0229(10) Uani 1 1 d . . . . .
H3A H 0.420264 -0.165217 0.595476 0.034 Uiso 1 1 calc R U . . .
H3B H 0.262204 -0.197495 0.621946 0.034 Uiso 1 1 calc R U . . .
H3C H 0.323267 -0.126237 0.673142 0.034 Uiso 1 1 calc R U . . .
C11 C 0.1857(5) 0.3167(5) 0.4810(2) 0.0151(9) Uani 1 1 d . . . . .
C12 C 0.2659(5) 0.4059(5) 0.4846(2) 0.0161(9) Uani 1 1 d . . . . .
C13 C 0.2828(5) 0.4954(5) 0.4272(2) 0.0189(10) Uani 1 1 d . . . . .
H13 H 0.337623 0.556867 0.427907 0.023 Uiso 1 1 calc R U . . .
C14 C 0.2199(5) 0.4944(5) 0.3696(2) 0.0209(10) Uani 1 1 d . . . . .
H14 H 0.233180 0.554113 0.330912 0.025 Uiso 1 1 calc R U . . .
C15 C 0.1381(5) 0.4069(5) 0.3684(2) 0.0198(10) Uani 1 1 d . . . . .
H15 H 0.095401 0.407287 0.328726 0.024 Uiso 1 1 calc R U . . .
C16 C 0.1172(5) 0.3185(5) 0.4242(2) 0.0153(9) Uani 1 1 d . . . . .
C17 C 0.3291(6) 0.4119(5) 0.5476(2) 0.0225(10) Uani 1 1 d . . . . .
H17A H 0.240444 0.435549 0.587872 0.034 Uiso 1 1 calc R U . . .
H17B H 0.370389 0.488612 0.541642 0.034 Uiso 1 1 calc R U . . .
H17C H 0.417637 0.315345 0.554299 0.034 Uiso 1 1 calc R U . . .
C18 C 0.0241(5) 0.2254(5) 0.4232(2) 0.0240(11) Uani 1 1 d . . . . .
H18A H -0.012625 0.238953 0.379174 0.036 Uiso 1 1 calc R U . . .
H18B H -0.070898 0.256449 0.460979 0.036 Uiso 1 1 calc R U . . .
H18C H 0.095573 0.120503 0.428959 0.036 Uiso 1 1 calc R U . . .
C20 C 0.5665(5) 0.0365(5) 0.5848(2) 0.0147(9) Uani 1 1 d . . . . .
C21 C 0.6493(5) 0.0833(5) 0.6974(2) 0.0147(9) Uani 1 1 d . . . . .
C22 C 0.7171(5) -0.0322(5) 0.7430(2) 0.0204(10) Uani 1 1 d . . . . .
H22 H 0.727259 -0.128802 0.735218 0.025 Uiso 1 1 calc R U . . .
C23 C 0.7696(6) -0.0068(5) 0.7996(2) 0.0213(10) Uani 1 1 d . . . . .
H23 H 0.815719 -0.086064 0.829896 0.026 Uiso 1 1 calc R U . . .
C24 C 0.7550(5) 0.1333(5) 0.8118(2) 0.0194(10) Uani 1 1 d . . . . .
H24 H 0.792116 0.149859 0.850213 0.023 Uiso 1 1 calc R U . . .
C25 C 0.6864(5) 0.2491(5) 0.7683(2) 0.0199(10) Uani 1 1 d . . . . .
H25 H 0.674640 0.345778 0.777117 0.024 Uiso 1 1 calc R U . . .
C26 C 0.6345(5) 0.2241(5) 0.7115(2) 0.0162(9) Uani 1 1 d . . . . .
H26 H 0.588014 0.304270 0.681622 0.019 Uiso 1 1 calc R U . . .
C27 C 0.5996(5) 0.0595(5) 0.6372(2) 0.0164(9) Uani 1 1 d . . . . .
Pt2 Pt 0.500000 0.500000 1.000000 0.01217(6) Uani 1 2 d S . P . .
N3 N 0.4235(4) 0.2881(4) 0.93504(17) 0.0152(8) Uani 1 1 d . . . . .
N4 N 0.3235(4) 0.5168(4) 0.88655(18) 0.0169(8) Uani 1 1 d D . . . .
H4 H 0.293(5) 0.477(5) 0.8581(19) 0.020 Uiso 1 1 d D U . . .
C4 C 0.4034(5) 0.4284(5) 0.9350(2) 0.0147(9) Uani 1 1 d . . . . .
C5 C 0.3547(5) 0.2309(5) 0.8897(2) 0.0210(10) Uani 1 1 d . . . . .
H5A H 0.238884 0.297224 0.891933 0.031 Uiso 1 1 calc R U . . .
H5B H 0.365650 0.131316 0.904837 0.031 Uiso 1 1 calc R U . . .
H5C H 0.413742 0.226146 0.842180 0.031 Uiso 1 1 calc R U . . .
C6 C 0.5127(6) 0.1811(5) 0.9836(2) 0.0247(11) Uani 1 1 d . . . . .
H6A H 0.569558 0.223791 1.005342 0.037 Uiso 1 1 calc R U . . .
H6B H 0.592623 0.090187 0.958857 0.037 Uiso 1 1 calc R U . . .
H6C H 0.435758 0.157604 1.019019 0.037 Uiso 1 1 calc R U . . .
C31 C 0.2588(5) 0.6771(5) 0.8867(2) 0.0172(10) Uani 1 1 d . . . . .
C32 C 0.3391(5) 0.7492(5) 0.8408(2) 0.0203(10) Uani 1 1 d . . . . .
C33 C 0.2699(6) 0.9039(5) 0.8423(2) 0.0243(11) Uani 1 1 d . . . . .
H33 H 0.323623 0.955502 0.812532 0.029 Uiso 1 1 calc R U . . .
C34 C 0.1249(6) 0.9837(5) 0.8861(2) 0.0279(12) Uani 1 1 d . . . . .
H34 H 0.081825 1.088929 0.887871 0.033 Uiso 1 1 calc R U . . .
C35 C 0.0427(6) 0.9096(5) 0.9274(2) 0.0252(11) Uani 1 1 d . . . . .
H35 H -0.059821 0.965199 0.955733 0.030 Uiso 1 1 calc R U . . .
C36 C 0.1068(5) 0.7555(5) 0.9285(2) 0.0188(10) Uani 1 1 d . . . . .
C37 C 0.4901(5) 0.6648(5) 0.7890(2) 0.0227(10) Uani 1 1 d . . . . .
H37A H 0.523287 0.734950 0.759632 0.034 Uiso 1 1 calc R U . . .
H37B H 0.467349 0.603338 0.760543 0.034 Uiso 1 1 calc R U . . .
H37C H 0.578347 0.601157 0.813184 0.034 Uiso 1 1 calc R U . . .
C38 C 0.0129(6) 0.6784(6) 0.9732(2) 0.0289(12) Uani 1 1 d . . . . .
H38A H 0.013793 0.599534 0.946743 0.043 Uiso 1 1 calc R U . . .
H38B H -0.100063 0.750286 0.988793 0.043 Uiso 1 1 calc R U . . .
H38C H 0.063893 0.635200 1.013309 0.043 Uiso 1 1 calc R U . . .
C40 C 0.6928(5) 0.4674(5) 0.9239(2) 0.0159(9) Uani 1 1 d . . . . .
C41 C 0.9391(5) 0.4556(5) 0.8245(2) 0.0163(9) Uani 1 1 d . . . . .
C42 C 0.9613(6) 0.5876(5) 0.8150(2) 0.0216(10) Uani 1 1 d . . . . .
H42 H 0.885469 0.673126 0.841244 0.026 Uiso 1 1 calc R U . . .
C43 C 1.0925(6) 0.5952(6) 0.7679(2) 0.0256(11) Uani 1 1 d . . . . .
H43 H 1.106910 0.684569 0.762128 0.031 Uiso 1 1 calc R U . . .
C44 C 1.2016(6) 0.4703(6) 0.7295(2) 0.0276(12) Uani 1 1 d . . . . .
H44 H 1.293320 0.473381 0.698311 0.033 Uiso 1 1 calc R U . . .
C45 C 1.1787(6) 0.3409(6) 0.7360(2) 0.0270(12) Uani 1 1 d . . . . .
H45 H 1.252388 0.256870 0.708361 0.032 Uiso 1 1 calc R U . . .
C46 C 1.0475(5) 0.3346(5) 0.7831(2) 0.0200(10) Uani 1 1 d . . . . .
H46 H 1.031600 0.245952 0.787079 0.024 Uiso 1 1 calc R U . . .
C47 C 0.8067(5) 0.4521(5) 0.8771(2) 0.0164(10) 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 C20 2.017(4) 2_656 ?
Pt1 C20 2.017(4) . ?
Pt1 C1 2.036(4) . ?
Pt1 C1 2.036(4) 2_656 ?
N1 C1 1.337(5) . ?
N1 C3 1.462(5) . ?
N1 C2 1.469(5) . ?
N2 C1 1.348(5) . ?
N2 C11 1.439(5) . ?
C11 C12 1.393(6) . ?
C11 C16 1.398(6) . ?
C12 C13 1.409(6) . ?
C12 C17 1.499(5) . ?
C13 C14 1.386(6) . ?
C14 C15 1.381(6) . ?
C15 C16 1.387(6) . ?
C16 C18 1.514(6) . ?
C20 C27 1.208(6) . ?
C21 C26 1.398(6) . ?
C21 C22 1.403(6) . ?
C21 C27 1.438(5) . ?
C22 C23 1.393(6) . ?
C23 C24 1.383(6) . ?
C24 C25 1.380(6) . ?
C25 C26 1.393(6) . ?
Pt2 C40 2.007(4) . ?
Pt2 C40 2.007(4) 2_667 ?
Pt2 C4 2.037(4) 2_667 ?
Pt2 C4 2.037(4) . ?
N3 C4 1.330(5) . ?
N3 C6 1.462(5) . ?
N3 C5 1.475(5) . ?
N4 C4 1.354(5) . ?
N4 C31 1.446(6) . ?
C31 C36 1.399(6) . ?
C31 C32 1.400(6) . ?
C32 C33 1.394(6) . ?
C32 C37 1.502(6) . ?
C33 C34 1.380(7) . ?
C34 C35 1.382(7) . ?
C35 C36 1.389(6) . ?
C36 C38 1.503(6) . ?
C40 C47 1.213(6) . ?
C41 C46 1.389(6) . ?
C41 C42 1.408(6) . ?
C41 C47 1.443(6) . ?
C42 C43 1.394(6) . ?
C43 C44 1.384(7) . ?
C44 C45 1.385(7) . ?
C45 C46 1.389(6) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C20 Pt1 C20 180.0 2_656 . ?
C20 Pt1 C1 92.99(16) 2_656 . ?
C20 Pt1 C1 87.01(16) . . ?
C20 Pt1 C1 87.01(16) 2_656 2_656 ?
C20 Pt1 C1 92.99(16) . 2_656 ?
C1 Pt1 C1 180.0 . 2_656 ?
C1 N1 C3 122.0(4) . . ?
C1 N1 C2 121.9(4) . . ?
C3 N1 C2 116.0(4) . . ?
C1 N2 C11 124.5(3) . . ?
N1 C1 N2 115.6(4) . . ?
N1 C1 Pt1 122.1(3) . . ?
N2 C1 Pt1 122.2(3) . . ?
C12 C11 C16 122.2(4) . . ?
C12 C11 N2 119.7(4) . . ?
C16 C11 N2 117.8(4) . . ?
C11 C12 C13 117.7(4) . . ?
C11 C12 C17 122.2(4) . . ?
C13 C12 C17 120.1(4) . . ?
C14 C13 C12 120.5(4) . . ?
C15 C14 C13 120.2(4) . . ?
C14 C15 C16 121.1(4) . . ?
C15 C16 C11 118.2(4) . . ?
C15 C16 C18 120.9(4) . . ?
C11 C16 C18 120.9(4) . . ?
C27 C20 Pt1 177.2(4) . . ?
C26 C21 C22 117.7(4) . . ?
C26 C21 C27 120.2(4) . . ?
C22 C21 C27 122.1(4) . . ?
C23 C22 C21 120.7(4) . . ?
C24 C23 C22 120.4(4) . . ?
C25 C24 C23 120.0(4) . . ?
C24 C25 C26 119.9(4) . . ?
C25 C26 C21 121.4(4) . . ?
C20 C27 C21 176.5(4) . . ?
C40 Pt2 C40 180.0 . 2_667 ?
C40 Pt2 C4 91.48(16) . 2_667 ?
C40 Pt2 C4 88.52(16) 2_667 2_667 ?
C40 Pt2 C4 88.52(16) . . ?
C40 Pt2 C4 91.48(16) 2_667 . ?
C4 Pt2 C4 180.0 2_667 . ?
C4 N3 C6 120.5(3) . . ?
C4 N3 C5 123.8(4) . . ?
C6 N3 C5 115.7(3) . . ?
C4 N4 C31 124.1(3) . . ?
N3 C4 N4 115.6(4) . . ?
N3 C4 Pt2 121.6(3) . . ?
N4 C4 Pt2 122.7(3) . . ?
C36 C31 C32 121.9(4) . . ?
C36 C31 N4 117.7(4) . . ?
C32 C31 N4 120.0(4) . . ?
C33 C32 C31 117.6(4) . . ?
C33 C32 C37 120.5(4) . . ?
C31 C32 C37 121.8(4) . . ?
C34 C33 C32 121.4(5) . . ?
C33 C34 C35 119.6(5) . . ?
C34 C35 C36 121.5(5) . . ?
C35 C36 C31 117.7(4) . . ?
C35 C36 C38 120.1(4) . . ?
C31 C36 C38 122.1(4) . . ?
C47 C40 Pt2 178.0(4) . . ?
C46 C41 C42 118.0(4) . . ?
C46 C41 C47 123.4(4) . . ?
C42 C41 C47 118.6(4) . . ?
C43 C42 C41 121.2(4) . . ?
C44 C43 C42 118.9(5) . . ?
C43 C44 C45 120.9(4) . . ?
C44 C45 C46 119.7(5) . . ?
C45 C46 C41 121.1(5) . . ?
C40 C47 C41 171.3(5) . . ?

_refine_diff_density_max         1.252
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.115

