# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

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

data_1a
_database_code_depnum_ccdc_archive 'CCDC 2362297'
loop_
_audit_author_name
_audit_author_address
'Wai-Yeung Wong'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2024-08-09 deposited with the CCDC.	2024-09-16 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         'C54 H44 N4 Pt, C H2 Cl2'
_chemical_formula_sum            'C55 H46 Cl2 N4 Pt'
_chemical_formula_weight         1028.94

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   14.5715(9)
_cell_length_b                   10.8846(7)
_cell_length_c                   29.9600(18)
_cell_angle_alpha                90
_cell_angle_beta                 96.8200(10)
_cell_angle_gamma                90
_cell_volume                     4718.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    22949
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      25.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_F_000             2064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    3.128
_shelx_estimated_absorpt_T_min   0.454
_shelx_estimated_absorpt_T_max   0.603
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.407
_exptl_absorpt_correction_T_max  0.569
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22949
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.627
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             8238
_reflns_number_gt                6493
_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       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_cell_refinement       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_data_reduction        'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXTL Ver.6.10'
_computing_publication_material  'SHELXTL Ver.6.10'
_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)+(0.0432P)²+13.5000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8238
_refine_ls_number_parameters     590
_refine_ls_number_restraints     40
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.1080
_refine_ls_wR_factor_gt          0.0993
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.002
_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
C39 C 0.1215(4) 0.2669(5) 0.11464(19) 0.0289(9) Uani 1 1 d D . . . .
C40 C 0.1190(4) 0.3589(7) 0.10183(18) 0.0395(16) Uani 1 1 d D . . . .
C41 C 0.1174(4) 0.4951(6) 0.0888(2) 0.0388(15) Uani 1 1 d . . . . .
C42 C 0.1890(5) 0.5723(6) 0.1064(3) 0.0523(18) Uani 1 1 d . . . . .
H42 H 0.235542 0.542424 0.127520 0.063 Uiso 1 1 calc R U . . .
C43 C 0.1910(6) 0.6933(7) 0.0925(3) 0.068(2) Uani 1 1 d . . . . .
H43 H 0.238777 0.744418 0.104512 0.081 Uiso 1 1 calc R U . . .
C44 C 0.1238(7) 0.7381(7) 0.0615(3) 0.069(3) Uani 1 1 d . . . . .
H44 H 0.126469 0.819046 0.051817 0.083 Uiso 1 1 calc R U . . .
C45 C 0.0537(6) 0.6655(8) 0.0448(3) 0.062(2) Uani 1 1 d . . . . .
H45 H 0.008280 0.697554 0.023548 0.074 Uiso 1 1 calc R U . . .
C46 C 0.0468(5) 0.5446(7) 0.0581(2) 0.0549(19) Uani 1 1 d . . . . .
H46 H -0.003737 0.496956 0.046971 0.066 Uiso 1 1 calc R U . . .
C47 C 0.2460(4) 0.1369(5) 0.17572(19) 0.0289(9) Uani 1 1 d D . . . .
C48 C 0.3168(5) 0.1320(6) 0.1930(2) 0.059(2) Uani 1 1 d D U . . .
C49 C 0.4099(6) 0.1314(9) 0.2159(3) 0.069(2) Uani 0.579(12) 1 d . . P A 1
C50 C 0.4551(11) 0.026(2) 0.2288(7) 0.109(8) Uani 0.579(12) 1 d . . P A 1
H50 H 0.425253 -0.047554 0.220976 0.130 Uiso 0.579(12) 1 calc R U P A 1
C51 C 0.543(2) 0.020(3) 0.2529(10) 0.157(11) Uani 0.579(12) 1 d . U P A 1
H51 H 0.569553 -0.054090 0.263012 0.188 Uiso 0.579(12) 1 calc R U P A 1
C52 C 0.5846(10) 0.125(2) 0.2602(6) 0.153(7) Uani 0.579(12) 1 d . . P A 1
H52 H 0.648211 0.123587 0.268139 0.184 Uiso 0.579(12) 1 calc R U P A 1
C53 C 0.5374(18) 0.250(3) 0.2567(8) 0.130(8) Uani 0.579(12) 1 d . U P A 1
H53 H 0.563729 0.321420 0.269988 0.156 Uiso 0.579(12) 1 calc R U P A 1
C54 C 0.4501(13) 0.247(2) 0.2313(5) 0.109(8) Uani 0.579(12) 1 d . U P A 1
H54 H 0.418064 0.319901 0.224269 0.131 Uiso 0.579(12) 1 calc R U P A 1
C49B C 0.4099(6) 0.1314(9) 0.2159(3) 0.069(2) Uani 0.421(12) 1 d D . P A 2
C50B C 0.4850(15) 0.107(2) 0.1887(9) 0.090(8) Uani 0.421(12) 1 d D . P A 2
H50B H 0.473725 0.096646 0.157707 0.108 Uiso 0.421(12) 1 calc R U P A 2
C51B C 0.5778(19) 0.098(2) 0.2123(10) 0.094(8) Uani 0.421(12) 1 d . U P A 2
H51B H 0.628747 0.076735 0.197986 0.113 Uiso 0.421(12) 1 calc R U P A 2
C52B C 0.5846(10) 0.125(2) 0.2602(6) 0.153(7) Uani 0.421(12) 1 d . . P A 2
H52B H 0.643585 0.138844 0.274809 0.184 Uiso 0.421(12) 1 calc R U P A 2
C53B C 0.521(2) 0.132(3) 0.2829(11) 0.106(9) Uani 0.421(12) 1 d . U P A 2
H53B H 0.534206 0.130707 0.314061 0.127 Uiso 0.421(12) 1 calc R U P A 2
C54B C 0.434(2) 0.140(3) 0.2644(8) 0.100(9) Uani 0.421(12) 1 d D U P A 2
H54B H 0.387414 0.151551 0.282714 0.120 Uiso 0.421(12) 1 calc R U P A 2
C55 C 0.3903(6) 0.3035(9) 0.0952(3) 0.085(3) Uani 1 1 d . . . . .
H55A H 0.342433 0.311962 0.069974 0.102 Uiso 1 1 calc R U . . .
H55B H 0.363870 0.260623 0.119021 0.102 Uiso 1 1 calc R U . . .
Pt1 Pt 0.11818(2) 0.09647(2) 0.13856(2) 0.03213(9) Uani 1 1 d . . . . .
Cl1 Cl 0.4787(2) 0.2189(3) 0.07906(14) 0.1398(15) Uani 1 1 d . . . . .
Cl2 Cl 0.4254(2) 0.4451(3) 0.11362(18) 0.1598(19) Uani 1 1 d . . . . .
N1 N -0.0060(3) 0.0468(4) 0.10304(16) 0.0328(11) Uani 1 1 d . . . . .
N2 N -0.2387(4) -0.0985(5) 0.02601(18) 0.0413(13) Uani 1 1 d . . . . .
N3 N 0.1036(3) -0.0797(4) 0.16112(17) 0.0361(12) Uani 1 1 d . . . . .
N5 N 0.0334(4) -0.4213(5) 0.21145(18) 0.0396(13) Uani 1 1 d . . . . .
C1 C -0.0583(4) 0.1145(6) 0.0713(2) 0.0396(15) Uani 1 1 d . . . . .
H1 H -0.040021 0.194728 0.066417 0.048 Uiso 1 1 calc R U . . .
C2 C -0.1352(4) 0.0721(6) 0.0464(2) 0.0395(15) Uani 1 1 d . . . . .
H2 H -0.169396 0.123533 0.025976 0.047 Uiso 1 1 calc R U . . .
C3 C -0.1633(4) -0.0504(6) 0.0516(2) 0.0349(14) Uani 1 1 d . . . . .
C4 C -0.1105(4) -0.1210(5) 0.0844(2) 0.0325(13) Uani 1 1 d . . . . .
H4 H -0.126507 -0.202215 0.089215 0.039 Uiso 1 1 calc R U . . .
C5 C -0.0351(4) -0.0697(5) 0.1093(2) 0.0310(13) Uani 1 1 d . . . . .
C6 C -0.2929(4) -0.0249(5) -0.0074(2) 0.0345(14) Uani 1 1 d . . . . .
C7 C -0.2746(4) -0.0299(6) -0.0517(2) 0.0394(15) Uani 1 1 d . . . . .
H7 H -0.227375 -0.079741 -0.059775 0.047 Uiso 1 1 calc R U . . .
C8 C -0.3272(4) 0.0400(6) -0.0839(2) 0.0397(15) Uani 1 1 d . . . . .
H8 H -0.315531 0.035296 -0.113698 0.048 Uiso 1 1 calc R U . . .
C9 C -0.3967(4) 0.1167(6) -0.0727(2) 0.0397(15) Uani 1 1 d . . . . .
C10 C -0.4145(4) 0.1193(6) -0.0282(2) 0.0421(16) Uani 1 1 d . . . . .
H10 H -0.461370 0.169452 -0.020059 0.050 Uiso 1 1 calc R U . . .
C11 C -0.3632(4) 0.0482(6) 0.0043(2) 0.0408(15) Uani 1 1 d . . . . .
H11 H -0.376334 0.050069 0.033943 0.049 Uiso 1 1 calc R U . . .
C12 C -0.4502(5) 0.1946(7) -0.1078(2) 0.057(2) Uani 1 1 d . . . . .
H12A H -0.495380 0.241659 -0.094336 0.068 Uiso 1 1 calc R U . . .
H12B H -0.408849 0.249162 -0.120712 0.068 Uiso 1 1 calc R U . . .
H12C H -0.480876 0.142861 -0.130922 0.068 Uiso 1 1 calc R U . . .
C13 C -0.2593(4) -0.2282(6) 0.0264(2) 0.0341(14) Uani 1 1 d . . . . .
C14 C -0.3366(5) -0.2680(6) 0.0442(2) 0.0487(17) Uani 1 1 d . . . . .
H14 H -0.373760 -0.211834 0.057056 0.058 Uiso 1 1 calc R U . . .
C15 C -0.3595(6) -0.3915(7) 0.0429(3) 0.064(2) Uani 1 1 d . . . . .
H15 H -0.412947 -0.417227 0.054298 0.076 Uiso 1 1 calc R U . . .
C16 C -0.3046(6) -0.4768(6) 0.0251(2) 0.0526(18) Uani 1 1 d . . . . .
C17 C -0.2293(6) -0.4354(6) 0.0069(3) 0.057(2) Uani 1 1 d . . . . .
H17 H -0.191966 -0.491570 -0.005820 0.068 Uiso 1 1 calc R U . . .
C18 C -0.2066(5) -0.3115(6) 0.0068(3) 0.0514(18) Uani 1 1 d . . . . .
H18 H -0.155604 -0.285334 -0.006644 0.062 Uiso 1 1 calc R U . . .
C19 C -0.3275(8) -0.6124(8) 0.0231(4) 0.091(3) Uani 1 1 d . . . . .
H19A H -0.382170 -0.626861 0.037318 0.110 Uiso 1 1 calc R U . . .
H19B H -0.337835 -0.638349 -0.007684 0.110 Uiso 1 1 calc R U . . .
H19C H -0.276884 -0.658093 0.038499 0.110 Uiso 1 1 calc R U . . .
C20 C 0.1605(4) -0.1403(6) 0.1920(2) 0.0421(16) Uani 1 1 d . . . . .
H20 H 0.216822 -0.103902 0.202313 0.051 Uiso 1 1 calc R U . . .
C21 C 0.1409(5) -0.2523(6) 0.2091(2) 0.0448(16) Uani 1 1 d . . . . .
H21 H 0.183294 -0.289831 0.230541 0.054 Uiso 1 1 calc R U . . .
C22 C 0.0567(4) -0.3108(6) 0.1944(2) 0.0373(14) Uani 1 1 d . . . . .
C23 C -0.0023(4) -0.2496(5) 0.1614(2) 0.0356(14) Uani 1 1 d . . . . .
H23 H -0.058526 -0.284961 0.150401 0.043 Uiso 1 1 calc R U . . .
C24 C 0.0221(4) -0.1379(5) 0.1452(2) 0.0328(13) Uani 1 1 d . . . . .
C25 C 0.0972(4) -0.4817(6) 0.2450(2) 0.0408(15) Uani 1 1 d . . . . .
C26 C 0.1103(5) -0.4353(7) 0.2882(2) 0.0468(17) Uani 1 1 d . . . . .
H26 H 0.074762 -0.369888 0.296376 0.056 Uiso 1 1 calc R U . . .
C27 C 0.1772(5) -0.4877(8) 0.3191(2) 0.057(2) Uani 1 1 d . . . . .
H27 H 0.187401 -0.455522 0.348028 0.069 Uiso 1 1 calc R U . . .
C28 C 0.2281(5) -0.5849(8) 0.3080(3) 0.062(2) Uani 1 1 d . . . . .
C29 C 0.2133(5) -0.6324(7) 0.2648(3) 0.060(2) Uani 1 1 d . . . . .
H29 H 0.247497 -0.699451 0.256953 0.072 Uiso 1 1 calc R U . . .
C30 C 0.1477(5) -0.5801(6) 0.2334(2) 0.0504(18) Uani 1 1 d . . . . .
H30 H 0.137968 -0.611795 0.204440 0.061 Uiso 1 1 calc R U . . .
C31 C 0.3014(7) -0.6430(12) 0.3421(3) 0.102(4) Uani 1 1 d . . . . .
H31A H 0.330114 -0.710153 0.328355 0.123 Uiso 1 1 calc R U . . .
H31B H 0.347283 -0.582593 0.352183 0.123 Uiso 1 1 calc R U . . .
H31C H 0.272927 -0.672618 0.367352 0.123 Uiso 1 1 calc R U . . .
C32 C -0.0559(4) -0.4762(5) 0.1985(2) 0.0356(14) Uani 1 1 d . . . . .
C33 C -0.0672(5) -0.5631(7) 0.1654(3) 0.057(2) Uani 1 1 d . . . . .
H33 H -0.017098 -0.587725 0.150997 0.069 Uiso 1 1 calc R U . . .
C34 C -0.1530(6) -0.6142(8) 0.1535(3) 0.069(2) Uani 1 1 d . . . . .
H34 H -0.159477 -0.674679 0.131457 0.083 Uiso 1 1 calc R U . . .
C35 C -0.2287(5) -0.5793(8) 0.1730(3) 0.060(2) Uani 1 1 d . . . . .
C36 C -0.2158(5) -0.4928(9) 0.2065(3) 0.067(2) Uani 1 1 d . . . . .
H36 H -0.265836 -0.468867 0.221062 0.080 Uiso 1 1 calc R U . . .
C37 C -0.1296(5) -0.4402(8) 0.2192(3) 0.058(2) Uani 1 1 d . . . . .
H37 H -0.122503 -0.380818 0.241647 0.070 Uiso 1 1 calc R U . . .
C38 C -0.3233(6) -0.6356(11) 0.1588(4) 0.102(4) Uani 1 1 d . . . . .
H38A H -0.367846 -0.599825 0.176094 0.122 Uiso 1 1 calc R U . . .
H38B H -0.341238 -0.619873 0.127433 0.122 Uiso 1 1 calc R U . . .
H38C H -0.320532 -0.722690 0.163881 0.122 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
C39 C40 1.072(8) . ?
C39 Pt1 1.991(6) . ?
C40 C41 1.533(9) . ?
C41 C42 1.393(9) . ?
C41 C46 1.403(9) . ?
C42 C43 1.382(10) . ?
C42 H42 0.9300 . ?
C43 C44 1.358(12) . ?
C43 H43 0.9300 . ?
C44 C45 1.340(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.383(11) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 C48 1.100(4) . ?
C47 Pt1 2.100(6) . ?
C48 C49B 1.445(10) . ?
C48 C49 1.445(10) . ?
C49 C50 1.35(2) . ?
C49 C54 1.441(19) . ?
C50 C51 1.39(3) . ?
C50 H50 0.9300 . ?
C51 C52 1.30(3) . ?
C51 H51 0.9300 . ?
C52 C53 1.53(3) . ?
C52 H52 0.9300 . ?
C53 C54 1.40(3) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C49B C54B 1.46(2) . ?
C49B C50B 1.47(2) . ?
C50B C51B 1.45(3) . ?
C50B H50B 0.9300 . ?
C51B C52B 1.46(3) . ?
C51B H51B 0.9300 . ?
C52B C53B 1.21(4) . ?
C52B H52B 0.9300 . ?
C53B C54B 1.33(4) . ?
C53B H53B 0.9300 . ?
C54B H54B 0.9300 . ?
C55 Cl2 1.696(10) . ?
C55 Cl1 1.700(11) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
Pt1 N3 2.053(5) . ?
Pt1 N1 2.059(5) . ?
N1 C5 1.357(7) . ?
N1 C1 1.364(8) . ?
N2 C3 1.368(8) . ?
N2 C6 1.443(8) . ?
N2 C13 1.444(8) . ?
N3 C20 1.340(8) . ?
N3 C24 1.380(7) . ?
N5 C22 1.365(8) . ?
N5 C32 1.442(7) . ?
N5 C25 1.443(8) . ?
C1 C2 1.350(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.409(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.402(8) . ?
C4 C5 1.371(8) . ?
C4 H4 0.9300 . ?
C5 C24 1.480(8) . ?
C6 C11 1.375(9) . ?
C6 C7 1.385(9) . ?
C7 C8 1.386(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.383(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.388(9) . ?
C9 C12 1.496(9) . ?
C10 C11 1.392(9) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.366(9) . ?
C13 C14 1.371(9) . ?
C14 C15 1.385(10) . ?
C14 H14 0.9300 . ?
C15 C16 1.374(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.358(10) . ?
C16 C19 1.513(10) . ?
C17 C18 1.389(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.367(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.407(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.399(8) . ?
C23 C24 1.371(8) . ?
C23 H23 0.9300 . ?
C25 C30 1.368(9) . ?
C25 C26 1.380(9) . ?
C26 C27 1.385(10) . ?
C26 H26 0.9300 . ?
C27 C28 1.357(11) . ?
C27 H27 0.9300 . ?
C28 C29 1.386(12) . ?
C28 C31 1.525(10) . ?
C29 C30 1.380(10) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C37 1.361(9) . ?
C32 C33 1.365(9) . ?
C33 C34 1.376(10) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(11) . ?
C34 H34 0.9300 . ?
C35 C36 1.373(11) . ?
C35 C38 1.522(10) . ?
C36 C37 1.391(10) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?

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
C40 C39 Pt1 176.6(6) . . ?
C39 C40 C41 173.8(7) . . ?
C42 C41 C46 118.3(6) . . ?
C42 C41 C40 120.0(6) . . ?
C46 C41 C40 121.7(6) . . ?
C43 C42 C41 120.2(7) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C44 C43 C42 120.6(8) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C45 C44 C43 120.0(7) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C45 C46 122.1(8) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C45 C46 C41 118.8(7) . . ?
C45 C46 H46 120.6 . . ?
C41 C46 H46 120.6 . . ?
C48 C47 Pt1 164.4(6) . . ?
C47 C48 C49B 177.4(8) . . ?
C47 C48 C49 177.4(8) . . ?
C50 C49 C54 118.9(13) . . ?
C50 C49 C48 122.4(11) . . ?
C54 C49 C48 118.1(12) . . ?
C49 C50 C51 125(2) . . ?
C49 C50 H50 117.5 . . ?
C51 C50 H50 117.5 . . ?
C52 C51 C50 115(3) . . ?
C52 C51 H51 122.4 . . ?
C50 C51 H51 122.4 . . ?
C51 C52 C53 125(2) . . ?
C51 C52 H52 117.4 . . ?
C53 C52 H52 117.4 . . ?
C54 C53 C52 113(2) . . ?
C54 C53 H53 123.7 . . ?
C52 C53 H53 123.7 . . ?
C53 C54 C49 120(2) . . ?
C53 C54 H54 119.9 . . ?
C49 C54 H54 119.9 . . ?
C54B C49B C48 125.1(14) . . ?
C54B C49B C50B 117.4(17) . . ?
C48 C49B C50B 117.2(12) . . ?
C51B C50B C49B 117(2) . . ?
C51B C50B H50B 121.5 . . ?
C49B C50B H50B 121.5 . . ?
C50B C51B C52B 115(2) . . ?
C50B C51B H51B 122.7 . . ?
C52B C51B H51B 122.7 . . ?
C53B C52B C51B 127(2) . . ?
C53B C52B H52B 116.6 . . ?
C51B C52B H52B 116.6 . . ?
C52B C53B C54B 122(3) . . ?
C52B C53B H53B 119.2 . . ?
C54B C53B H53B 119.2 . . ?
C53B C54B C49B 121(3) . . ?
C53B C54B H54B 119.5 . . ?
C49B C54B H54B 119.5 . . ?
Cl2 C55 Cl1 112.0(5) . . ?
Cl2 C55 H55A 109.2 . . ?
Cl1 C55 H55A 109.2 . . ?
Cl2 C55 H55B 109.2 . . ?
Cl1 C55 H55B 109.2 . . ?
H55A C55 H55B 107.9 . . ?
C39 Pt1 N3 175.3(2) . . ?
C39 Pt1 N1 96.7(2) . . ?
N3 Pt1 N1 78.80(19) . . ?
C39 Pt1 C47 86.4(2) . . ?
N3 Pt1 C47 98.1(2) . . ?
N1 Pt1 C47 176.8(2) . . ?
C5 N1 C1 116.3(5) . . ?
C5 N1 Pt1 116.3(4) . . ?
C1 N1 Pt1 127.1(4) . . ?
C3 N2 C6 121.0(5) . . ?
C3 N2 C13 121.5(5) . . ?
C6 N2 C13 116.9(5) . . ?
C20 N3 C24 116.7(5) . . ?
C20 N3 Pt1 127.4(4) . . ?
C24 N3 Pt1 115.7(4) . . ?
C22 N5 C32 121.3(5) . . ?
C22 N5 C25 119.5(5) . . ?
C32 N5 C25 119.0(5) . . ?
C2 C1 N1 124.0(6) . . ?
C2 C1 H1 118.0 . . ?
N1 C1 H1 118.0 . . ?
C1 C2 C3 119.7(6) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
N2 C3 C4 121.4(5) . . ?
N2 C3 C2 121.7(6) . . ?
C4 C3 C2 117.0(5) . . ?
C5 C4 C3 119.7(5) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
N1 C5 C4 123.2(5) . . ?
N1 C5 C24 114.3(5) . . ?
C4 C5 C24 122.5(5) . . ?
C11 C6 C7 120.2(6) . . ?
C11 C6 N2 120.4(6) . . ?
C7 C6 N2 119.4(6) . . ?
C6 C7 C8 119.4(6) . . ?
C6 C7 H7 120.3 . . ?
C8 C7 H7 120.3 . . ?
C9 C8 C7 121.6(6) . . ?
C9 C8 H8 119.2 . . ?
C7 C8 H8 119.2 . . ?
C8 C9 C10 118.0(6) . . ?
C8 C9 C12 120.5(6) . . ?
C10 C9 C12 121.4(6) . . ?
C9 C10 C11 121.0(6) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C6 C11 C10 119.8(6) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 119.2(6) . . ?
C18 C13 N2 121.1(6) . . ?
C14 C13 N2 119.5(6) . . ?
C13 C14 C15 120.1(7) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 121.2(7) . . ?
C16 C15 H15 119.4 . . ?
C14 C15 H15 119.4 . . ?
C17 C16 C15 117.8(7) . . ?
C17 C16 C19 119.5(7) . . ?
C15 C16 C19 122.6(7) . . ?
C16 C17 C18 121.9(7) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C17 119.7(7) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 124.0(6) . . ?
N3 C20 H20 118.0 . . ?
C21 C20 H20 118.0 . . ?
C20 C21 C22 120.0(6) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
N5 C22 C23 121.7(6) . . ?
N5 C22 C21 121.9(5) . . ?
C23 C22 C21 116.5(6) . . ?
C24 C23 C22 120.6(6) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 N3 122.2(5) . . ?
C23 C24 C5 123.7(5) . . ?
N3 C24 C5 114.0(5) . . ?
C30 C25 C26 120.3(6) . . ?
C30 C25 N5 120.1(6) . . ?
C26 C25 N5 119.5(6) . . ?
C25 C26 C27 119.0(7) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C28 C27 C26 121.3(7) . . ?
C28 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C27 C28 C29 119.4(7) . . ?
C27 C28 C31 121.2(8) . . ?
C29 C28 C31 119.4(8) . . ?
C30 C29 C28 120.0(7) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C25 C30 C29 120.0(7) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C32 C33 119.8(6) . . ?
C37 C32 N5 119.6(6) . . ?
C33 C32 N5 120.6(6) . . ?
C32 C33 C34 119.7(7) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C35 C34 C33 122.3(8) . . ?
C35 C34 H34 118.8 . . ?
C33 C34 H34 118.8 . . ?
C34 C35 C36 117.2(7) . . ?
C34 C35 C38 121.4(8) . . ?
C36 C35 C38 121.4(8) . . ?
C35 C36 C37 121.5(7) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 H36 119.2 . . ?
C32 C37 C36 119.5(7) . . ?
C32 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

_refine_diff_density_max         2.403
_refine_diff_density_min         -1.400
_refine_diff_density_rms         0.112



####################################################################### 
# 
# 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_Pt-1
_database_code_depnum_ccdc_archive 'CCDC 2362301'
loop_
_audit_author_name
_audit_author_address
'Wai-Yeung Wong'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2024-06-12 deposited with the CCDC.	2024-09-16 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         'C38 H34 Cl2 N4 Pt, C H2 Cl2'
_chemical_formula_sum            'C39 H36 Cl4 N4 Pt'
_chemical_formula_weight         897.61

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   15.4350(12)
_cell_length_b                   9.4089(7)
_cell_length_c                   25.814(2)
_cell_angle_alpha                90
_cell_angle_beta                 102.0080(10)
_cell_angle_gamma                90
_cell_volume                     3666.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    21912
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      28.28

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.626
_exptl_crystal_F_000             1776
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    4.152
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_T_max  0.436
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21912
_diffrn_reflns_av_unetI/netI     0.0552
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_theta_min         2.551
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_point_group_measured_fraction_full 0.984
_reflns_number_total             8803
_reflns_number_gt                7330
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0475P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8803
_refine_ls_number_parameters     433
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0352
_refine_ls_wR_factor_ref         0.0925
_refine_ls_wR_factor_gt          0.0864
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.002
_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
C1 C 0.7684(2) 0.0091(4) 0.11620(14) 0.0292(8) Uani 1 1 d . . . . .
H1A H 0.822113 -0.033458 0.111566 0.035 Uiso 1 1 calc R U . . .
C2 C 0.7731(2) 0.1330(4) 0.14470(15) 0.0298(8) Uani 1 1 d . . . . .
H2A H 0.829065 0.173705 0.159563 0.036 Uiso 1 1 calc R U . . .
C3 C 0.6947(2) 0.1999(4) 0.15188(14) 0.0248(7) Uani 1 1 d . . . . .
C4 C 0.6148(2) 0.1316(4) 0.12945(14) 0.0238(7) Uani 1 1 d . . . . .
H4A H 0.560181 0.171497 0.133682 0.029 Uiso 1 1 calc R U . . .
C5 C 0.6150(2) 0.0077(4) 0.10148(13) 0.0222(7) Uani 1 1 d . . . . .
C6 C 0.7791(2) 0.3899(4) 0.20391(14) 0.0267(8) Uani 1 1 d . . . . .
C7 C 0.8303(3) 0.3360(4) 0.25036(15) 0.0308(8) Uani 1 1 d . . . . .
H7A H 0.810568 0.256178 0.267266 0.037 Uiso 1 1 calc R U . . .
C8 C 0.9101(3) 0.3999(4) 0.27165(15) 0.0314(8) Uani 1 1 d . . . . .
H8A H 0.945458 0.361876 0.303161 0.038 Uiso 1 1 calc R U . . .
C9 C 0.9406(3) 0.5180(4) 0.24854(15) 0.0310(8) Uani 1 1 d . . . . .
C10 C 0.8874(3) 0.5713(5) 0.20229(16) 0.0377(10) Uani 1 1 d . . . . .
H10A H 0.906218 0.652981 0.185993 0.045 Uiso 1 1 calc R U . . .
C11 C 0.8077(3) 0.5076(5) 0.17968(16) 0.0364(9) Uani 1 1 d . . . . .
H11A H 0.772711 0.544157 0.147776 0.044 Uiso 1 1 calc R U . . .
C12 C 1.0289(3) 0.5855(5) 0.27188(17) 0.0408(10) Uani 1 1 d . . . . .
H12A H 1.038609 0.666936 0.250120 0.061 Uiso 1 1 calc R U . . .
H12B H 1.029093 0.617649 0.308010 0.061 Uiso 1 1 calc R U . . .
H12C H 1.076236 0.515640 0.272635 0.061 Uiso 1 1 calc R U . . .
C13 C 0.6175(2) 0.4078(4) 0.17808(14) 0.0255(7) Uani 1 1 d . . . . .
C14 C 0.5928(3) 0.4430(4) 0.22474(15) 0.0346(9) Uani 1 1 d . . . . .
H14A H 0.626065 0.408878 0.257543 0.042 Uiso 1 1 calc R U . . .
C15 C 0.5194(3) 0.5284(5) 0.22362(17) 0.0392(10) Uani 1 1 d . . . . .
H15A H 0.503624 0.554001 0.256040 0.047 Uiso 1 1 calc R U . . .
C16 C 0.4683(3) 0.5777(4) 0.17627(17) 0.0340(9) Uani 1 1 d . . . . .
C17 C 0.4946(3) 0.5417(4) 0.13025(16) 0.0368(9) Uani 1 1 d . . . . .
H17A H 0.460987 0.574603 0.097363 0.044 Uiso 1 1 calc R U . . .
C18 C 0.5688(3) 0.4588(4) 0.13059(15) 0.0333(9) Uani 1 1 d . . . . .
H18A H 0.586196 0.436929 0.098305 0.040 Uiso 1 1 calc R U . . .
C19 C 0.3895(3) 0.6707(5) 0.1753(2) 0.0512(12) Uani 1 1 d . . . . .
H19A H 0.380924 0.684634 0.211526 0.077 Uiso 1 1 calc R U . . .
H19B H 0.399088 0.762903 0.159780 0.077 Uiso 1 1 calc R U . . .
H19C H 0.336736 0.625457 0.153969 0.077 Uiso 1 1 calc R U . . .
C20 C 0.5331(2) -0.0655(4) 0.07428(13) 0.0217(7) Uani 1 1 d . . . . .
C21 C 0.4494(2) -0.0250(4) 0.07833(14) 0.0245(7) Uani 1 1 d . . . . .
H21A H 0.441790 0.049713 0.101735 0.029 Uiso 1 1 calc R U . . .
C22 C 0.3746(2) -0.0937(4) 0.04787(14) 0.0237(7) Uani 1 1 d . . . . .
C23 C 0.3919(2) -0.1959(4) 0.01130(14) 0.0260(7) Uani 1 1 d . . . . .
H23A H 0.344365 -0.237041 -0.013466 0.031 Uiso 1 1 calc R U . . .
C24 C 0.4769(3) -0.2355(4) 0.01155(15) 0.0271(8) Uani 1 1 d . . . . .
H24A H 0.486299 -0.309504 -0.011706 0.033 Uiso 1 1 calc R U . . .
C25 C 0.2763(2) 0.0410(4) 0.09288(14) 0.0249(7) Uani 1 1 d . . . . .
C26 C 0.2928(3) 0.1842(4) 0.08682(16) 0.0327(9) Uani 1 1 d . . . . .
H26A H 0.311707 0.216684 0.056114 0.039 Uiso 1 1 calc R U . . .
C27 C 0.2817(3) 0.2797(4) 0.12564(16) 0.0351(10) Uani 1 1 d . . . . .
H27A H 0.294125 0.377439 0.121434 0.042 Uiso 1 1 calc R U . . .
C28 C 0.2528(3) 0.2362(4) 0.17070(16) 0.0303(9) Uani 1 1 d . . . . .
C29 C 0.2335(3) 0.0923(4) 0.17496(15) 0.0318(8) Uani 1 1 d . . . . .
H29A H 0.211103 0.060213 0.204503 0.038 Uiso 1 1 calc R U . . .
C30 C 0.2465(2) -0.0043(4) 0.13705(14) 0.0273(8) Uani 1 1 d . . . . .
H30A H 0.234809 -0.102285 0.141303 0.033 Uiso 1 1 calc R U . . .
C31 C 0.2439(4) 0.3394(5) 0.21370(18) 0.0511(12) Uani 1 1 d . . . . .
H31A H 0.222802 0.289052 0.241944 0.077 Uiso 1 1 calc R U . . .
H31B H 0.301624 0.382570 0.228162 0.077 Uiso 1 1 calc R U . . .
H31C H 0.201390 0.413796 0.199041 0.077 Uiso 1 1 calc R U . . .
C32 C 0.2130(2) -0.1327(4) 0.02462(14) 0.0263(8) Uani 1 1 d . . . . .
C33 C 0.1430(3) -0.0521(4) -0.00162(15) 0.0330(9) Uani 1 1 d . . . . .
H33A H 0.146177 0.048664 -0.000302 0.040 Uiso 1 1 calc R U . . .
C34 C 0.0679(3) -0.1186(5) -0.02992(18) 0.0446(11) Uani 1 1 d . . . . .
H34A H 0.019430 -0.062366 -0.047312 0.054 Uiso 1 1 calc R U . . .
C35 C 0.0619(3) -0.2654(5) -0.0335(2) 0.0481(13) Uani 1 1 d . . . . .
C36 C 0.1323(3) -0.3447(5) -0.00651(19) 0.0442(11) Uani 1 1 d . . . . .
H36A H 0.129291 -0.445452 -0.008115 0.053 Uiso 1 1 calc R U . . .
C37 C 0.2073(3) -0.2797(4) 0.02289(18) 0.0339(9) Uani 1 1 d . . . . .
H37A H 0.254642 -0.335854 0.041777 0.041 Uiso 1 1 calc R U . . .
C38 C -0.0203(4) -0.3367(8) -0.0653(3) 0.087(2) Uani 1 1 d . . . . .
H38A H -0.062855 -0.264030 -0.081557 0.131 Uiso 1 1 calc R U . . .
H38B H -0.003971 -0.395665 -0.093082 0.131 Uiso 1 1 calc R U . . .
H38C H -0.047177 -0.396558 -0.041846 0.131 Uiso 1 1 calc R U . . .
C39 C 0.0498(3) 0.7621(6) 0.1110(2) 0.0523(14) Uani 1 1 d . . . . .
H39A H 0.074249 0.809880 0.082981 0.063 Uiso 1 1 calc R U . . .
H39B H -0.004700 0.711110 0.093723 0.063 Uiso 1 1 calc R U . . .
Cl1 Cl 0.82370(7) -0.28780(10) 0.06373(4) 0.0329(2) Uani 1 1 d . . . . .
Cl2 Cl 0.64274(7) -0.44171(10) 0.00373(4) 0.0330(2) Uani 1 1 d . . . . .
Cl3 Cl 0.12799(8) 0.63864(14) 0.14461(5) 0.0534(3) Uani 1 1 d . . . . .
Cl4 Cl 0.02334(8) 0.89007(15) 0.15460(5) 0.0556(3) Uani 1 1 d . . . . .
N1 N 0.69161(19) -0.0551(3) 0.09453(11) 0.0228(6) Uani 1 1 d . . . . .
N2 N 0.6961(2) 0.3247(3) 0.17930(12) 0.0281(7) Uani 1 1 d . . . . .
N3 N 0.54849(19) -0.1758(3) 0.04287(11) 0.0222(6) Uani 1 1 d . . . . .
N4 N 0.2907(2) -0.0614(3) 0.05409(12) 0.0263(7) Uani 1 1 d . . . . .
Pt1 Pt 0.67520(2) -0.23498(2) 0.05141(2) 0.02252(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.344(4) . ?
C1 C2 1.373(5) . ?
C1 H1A 0.9500 . ?
C2 C3 1.410(5) . ?
C2 H2A 0.9500 . ?
C3 N2 1.369(5) . ?
C3 C4 1.404(5) . ?
C4 C5 1.371(5) . ?
C4 H4A 0.9500 . ?
C5 N1 1.367(4) . ?
C5 C20 1.482(5) . ?
C6 C11 1.388(5) . ?
C6 C7 1.387(5) . ?
C6 N2 1.443(4) . ?
C7 C8 1.378(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.389(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.394(5) . ?
C9 C12 1.511(5) . ?
C10 C11 1.384(5) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.377(5) . ?
C13 C18 1.384(5) . ?
C13 N2 1.438(5) . ?
C14 C15 1.385(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.390(6) . ?
C15 H15A 0.9500 . ?
C16 C17 1.376(6) . ?
C16 C19 1.494(6) . ?
C17 C18 1.384(6) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 N3 1.368(4) . ?
C20 C21 1.371(5) . ?
C21 C22 1.411(5) . ?
C21 H21A 0.9500 . ?
C22 N4 1.372(4) . ?
C22 C23 1.411(5) . ?
C23 C24 1.362(6) . ?
C23 H23A 0.9500 . ?
C24 N3 1.348(5) . ?
C24 H24A 0.9500 . ?
C25 C30 1.383(5) . ?
C25 C26 1.387(5) . ?
C25 N4 1.440(4) . ?
C26 C27 1.383(5) . ?
C26 H26A 0.9500 . ?
C27 C28 1.391(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.396(5) . ?
C28 C31 1.502(6) . ?
C29 C30 1.380(5) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.377(5) . ?
C32 C37 1.386(5) . ?
C32 N4 1.445(4) . ?
C33 C34 1.384(6) . ?
C33 H33A 0.9500 . ?
C34 C35 1.385(6) . ?
C34 H34A 0.9500 . ?
C35 C36 1.381(7) . ?
C35 C38 1.517(7) . ?
C36 C37 1.387(6) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 Cl4 1.754(5) . ?
C39 Cl3 1.767(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
Cl1 Pt1 2.3018(10) . ?
Cl2 Pt1 2.3006(9) . ?
N1 Pt1 2.012(3) . ?
N3 Pt1 2.001(3) . ?

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 C1 C2 123.2(3) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C1 C2 C3 119.9(3) . . ?
C1 C2 H2A 120.0 . . ?
C3 C2 H2A 120.0 . . ?
N2 C3 C4 121.6(3) . . ?
N2 C3 C2 121.9(3) . . ?
C4 C3 C2 116.4(3) . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4A 119.7 . . ?
C3 C4 H4A 119.7 . . ?
N1 C5 C4 122.2(3) . . ?
N1 C5 C20 114.4(3) . . ?
C4 C5 C20 123.4(3) . . ?
C11 C6 C7 120.3(3) . . ?
C11 C6 N2 118.5(3) . . ?
C7 C6 N2 121.3(3) . . ?
C8 C7 C6 119.1(4) . . ?
C8 C7 H7A 120.5 . . ?
C6 C7 H7A 120.5 . . ?
C7 C8 C9 122.1(4) . . ?
C7 C8 H8A 118.9 . . ?
C9 C8 H8A 118.9 . . ?
C8 C9 C10 117.7(4) . . ?
C8 C9 C12 121.5(4) . . ?
C10 C9 C12 120.8(4) . . ?
C11 C10 C9 121.2(4) . . ?
C11 C10 H10A 119.4 . . ?
C9 C10 H10A 119.4 . . ?
C10 C11 C6 119.6(4) . . ?
C10 C11 H11A 120.2 . . ?
C6 C11 H11A 120.2 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 119.6(4) . . ?
C14 C13 N2 119.8(3) . . ?
C18 C13 N2 120.5(3) . . ?
C13 C14 C15 119.7(4) . . ?
C13 C14 H14A 120.2 . . ?
C15 C14 H14A 120.2 . . ?
C14 C15 C16 121.7(4) . . ?
C14 C15 H15A 119.2 . . ?
C16 C15 H15A 119.2 . . ?
C17 C16 C15 117.5(4) . . ?
C17 C16 C19 121.0(4) . . ?
C15 C16 C19 121.4(4) . . ?
C16 C17 C18 121.8(4) . . ?
C16 C17 H17A 119.1 . . ?
C18 C17 H17A 119.1 . . ?
C17 C18 C13 119.8(4) . . ?
C17 C18 H18A 120.1 . . ?
C13 C18 H18A 120.1 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 122.6(3) . . ?
N3 C20 C5 113.4(3) . . ?
C21 C20 C5 124.0(3) . . ?
C20 C21 C22 120.3(3) . . ?
C20 C21 H21A 119.9 . . ?
C22 C21 H21A 119.9 . . ?
N4 C22 C23 122.9(3) . . ?
N4 C22 C21 121.1(3) . . ?
C23 C22 C21 116.0(3) . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23A 120.0 . . ?
C22 C23 H23A 120.0 . . ?
N3 C24 C23 123.8(3) . . ?
N3 C24 H24A 118.1 . . ?
C23 C24 H24A 118.1 . . ?
C30 C25 C26 119.5(3) . . ?
C30 C25 N4 119.5(3) . . ?
C26 C25 N4 120.9(3) . . ?
C27 C26 C25 119.8(4) . . ?
C27 C26 H26A 120.1 . . ?
C25 C26 H26A 120.1 . . ?
C26 C27 C28 121.6(4) . . ?
C26 C27 H27A 119.2 . . ?
C28 C27 H27A 119.2 . . ?
C27 C28 C29 117.5(4) . . ?
C27 C28 C31 121.5(4) . . ?
C29 C28 C31 121.0(4) . . ?
C30 C29 C28 121.2(4) . . ?
C30 C29 H29A 119.4 . . ?
C28 C29 H29A 119.4 . . ?
C29 C30 C25 120.2(3) . . ?
C29 C30 H30A 119.9 . . ?
C25 C30 H30A 119.9 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C37 119.7(4) . . ?
C33 C32 N4 119.0(4) . . ?
C37 C32 N4 121.3(3) . . ?
C32 C33 C34 119.7(4) . . ?
C32 C33 H33A 120.1 . . ?
C34 C33 H33A 120.1 . . ?
C33 C34 C35 121.6(4) . . ?
C33 C34 H34A 119.2 . . ?
C35 C34 H34A 119.2 . . ?
C36 C35 C34 118.0(4) . . ?
C36 C35 C38 121.0(5) . . ?
C34 C35 C38 121.0(5) . . ?
C35 C36 C37 121.2(4) . . ?
C35 C36 H36A 119.4 . . ?
C37 C36 H36A 119.4 . . ?
C32 C37 C36 119.8(4) . . ?
C32 C37 H37A 120.1 . . ?
C36 C37 H37A 120.1 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
Cl4 C39 Cl3 111.2(3) . . ?
Cl4 C39 H39A 109.4 . . ?
Cl3 C39 H39A 109.4 . . ?
Cl4 C39 H39B 109.4 . . ?
Cl3 C39 H39B 109.4 . . ?
H39A C39 H39B 108.0 . . ?
C1 N1 C5 117.6(3) . . ?
C1 N1 Pt1 127.3(3) . . ?
C5 N1 Pt1 115.1(2) . . ?
C3 N2 C13 122.2(3) . . ?
C3 N2 C6 120.6(3) . . ?
C13 N2 C6 116.5(3) . . ?
C24 N3 C20 116.7(3) . . ?
C24 N3 Pt1 127.6(3) . . ?
C20 N3 Pt1 115.6(2) . . ?
C22 N4 C25 121.0(3) . . ?
C22 N4 C32 122.4(3) . . ?
C25 N4 C32 116.5(3) . . ?
N3 Pt1 N1 80.47(12) . . ?
N3 Pt1 Cl2 94.44(8) . . ?
N1 Pt1 Cl2 174.42(8) . . ?
N3 Pt1 Cl1 176.02(8) . . ?
N1 Pt1 Cl1 95.63(9) . . ?
Cl2 Pt1 Cl1 89.49(3) . . ?

_refine_diff_density_max         1.736
_refine_diff_density_min         -2.124
_refine_diff_density_rms         0.129



####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 2362299'
loop_
_audit_author_name
_audit_author_address
'Wai-Yeung Wong'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2024-08-09 deposited with the CCDC.	2024-09-16 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         'C56 H42 F6 N4 O4 Pt'
_chemical_formula_sum            'C56 H42 F6 N4 O4 Pt'
_chemical_formula_weight         1144.02

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   11.270(3)
_cell_length_b                   13.603(3)
_cell_length_c                   18.951(5)
_cell_angle_alpha                101.546(4)
_cell_angle_beta                 105.572(5)
_cell_angle_gamma                104.303(4)
_cell_volume                     2599.1(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    11998
_cell_measurement_theta_min      2.70
_cell_measurement_theta_max      25.00

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_F_000             1140
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    2.769
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.440
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11998
_diffrn_reflns_av_unetI/netI     0.1070
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.700
_diffrn_reflns_theta_max         24.995
_diffrn_reflns_theta_full        24.995
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measured_fraction_theta_full 0.931
_diffrn_reflns_Laue_measured_fraction_max 0.931
_diffrn_reflns_Laue_measured_fraction_full 0.931
_diffrn_reflns_point_group_measured_fraction_max 0.931
_diffrn_reflns_point_group_measured_fraction_full 0.931
_reflns_number_total             8527
_reflns_number_gt                6779
_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.
;
# start Validation Reply Form
_vrf_PLAT029_2b                  
;
PROBLEM: diffrn_measured_fraction_theta_full value Low
RESPONSE: This alert is generated from the weak reflections 
at higher theta area because the crystal quality is not satisfactory.
Thus, only 93.1% overall completeness is acquired, but mass spectrum 
and NMR have confirmed the X-ray structural analysis.
;
_vrf_PLAT601_2b                  
;
PROBLEM: Unit Cell Contains Solvent Accessible VOIDS of 262 Ang**3
RESPONSE: The crystal lattice indeed shows accessible voids. We have assigned 
several Q peaks from the electron residues trying to model some solvent 
molecules. However, no chemically reasonable species can be modelled after 
refinement. Thus, the structure did show voids but without 
the presence of solvent molecules.
;
_vrf_PLAT971_2b                  
;
PROBLEM: Check Calcd Resid. Dens.  0.89Ang From Pt1
RESPONSE: We have noted the residual density around the Pt atoms with 
the presence of Q peaks. In this sense, we tried to treat the Pt atoms 
as disordered atoms to model them. However, upon splitting each Pt 
atom into two parts, the coordination geometry of the Pt with the 
donor atoms is unnormal and the resulting molecular structure 
collapsed upon refinement. Thus, the residual density around the Pt 
atoms is not chemically sensible to be assigned as any other elements 
and atoms. In fact, the appearance of residual density has been 
normally observed for heavy metal atoms.
;
_vrf_PLAT973_2b                  
;
PROBLEM: Check Calcd Resid. Dens.  0.89Ang From Pt1
RESPONSE: We have noted the residual density around the Pt atoms with 
the presence of Q peaks. In this sense, we tried to treat the Pt atoms 
as disordered atoms to model them. However, upon splitting each Pt 
atom into two parts, the coordination geometry of the Pt with the 
donor atoms is unnormal and the resulting molecular structure 
collapsed upon refinement. Thus, the residual density around the Pt 
atoms is not chemically sensible to be assigned as any other elements 
and atoms. In fact, the appearance of residual density has been 
normally observed for heavy metal atoms.
;
_vrf_PLAT911_2b                  
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=  0.595   616 Report
RESPONSE: We did not omit these reflections during refinement.
This is probably due to the unsatisfactory completeness
where some expected reflections are too weak to be measured.
;
_vrf_PLAT910_2b                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).  13 Note 
RESPONSE: The theta values of these missing reflections are lower
than the Theta min and thus were omitted. 
;
# end Validation Reply Form  
_computing_data_collection       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_cell_refinement       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_data_reduction        'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXTL Ver.6.10'
_computing_publication_material  'SHELXTL Ver.6.10'
_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)+(0.0431P)²+37.6118P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8527
_refine_ls_number_parameters     676
_refine_ls_number_restraints     38
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0656
_refine_ls_wR_factor_ref         0.1675
_refine_ls_wR_factor_gt          0.1512
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_restrained_S_all      0.981
_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
F1A F 1.526(3) 1.4758(16) 0.1904(14) 0.106(9) Uani 0.68(3) 1 d . . P A 1
F2A F 1.466(2) 1.5241(12) 0.2878(15) 0.090(6) Uani 0.68(3) 1 d . U P A 1
F3A F 1.6142(18) 1.4485(13) 0.3003(15) 0.098(6) Uani 0.68(3) 1 d . . P A 1
F1B F 1.574(7) 1.448(4) 0.215(3) 0.106(9) Uani 0.32(3) 1 d . . P A 2
F2B F 1.442(5) 1.518(3) 0.242(3) 0.090(6) Uani 0.32(3) 1 d . . P A 2
F3B F 1.576(4) 1.476(3) 0.316(4) 0.098(6) Uani 0.32(3) 1 d . . P A 2
C19A C 0.848(4) 0.197(3) -0.408(2) 0.120(12) Uani 0.516(15) 1 d . . P B 1
H19A H 0.788529 0.139268 -0.452558 0.180 Uiso 0.516(15) 1 calc R U P B 1
H19B H 0.934787 0.217068 -0.411752 0.180 Uiso 0.516(15) 1 calc R U P B 1
H19C H 0.851418 0.174679 -0.361373 0.180 Uiso 0.516(15) 1 calc R U P B 1
C38A C 0.524(3) 0.143(2) -0.4145(18) 0.072(6) Uani 0.516(15) 1 d . . P B 1
H38A H 0.527763 0.105682 -0.463175 0.108 Uiso 0.516(15) 1 calc R U P B 1
H38B H 0.437845 0.112575 -0.411002 0.108 Uiso 0.516(15) 1 calc R U P B 1
H38C H 0.538548 0.218251 -0.411560 0.108 Uiso 0.516(15) 1 calc R U P B 1
C19B C 0.669(4) 0.260(3) -0.447(3) 0.120(12) Uani 0.484(15) 1 d . . P B 2
H19D H 0.635294 0.190604 -0.484535 0.180 Uiso 0.484(15) 1 calc R U P B 2
H19E H 0.618838 0.261937 -0.411921 0.180 Uiso 0.484(15) 1 calc R U P B 2
H19F H 0.661470 0.314773 -0.473236 0.180 Uiso 0.484(15) 1 calc R U P B 2
C38B C 0.757(3) 0.082(3) -0.3351(19) 0.072(6) Uani 0.484(15) 1 d . . P B 2
H38D H 0.754411 0.046141 -0.385906 0.108 Uiso 0.484(15) 1 calc R U P B 2
H38E H 0.839483 0.139589 -0.309116 0.108 Uiso 0.484(15) 1 calc R U P B 2
H38F H 0.748236 0.031625 -0.305089 0.108 Uiso 0.484(15) 1 calc R U P B 2
F4A F 0.762(4) 0.701(3) 0.5522(16) 0.155(7) Uani 0.524(11) 1 d . U P C 1
F5A F 0.663(4) 0.809(3) 0.5450(19) 0.120(8) Uani 0.524(11) 1 d . U P C 1
F6A F 0.871(4) 0.857(5) 0.602(2) 0.17(2) Uani 0.524(11) 1 d . . P C 1
C52A C 0.777(3) 0.704(2) 0.4107(17) 0.054(6) Uani 0.524(11) 1 d . . P C 1
H52A H 0.760162 0.635970 0.418443 0.065 Uiso 0.524(11) 1 calc R U P C 1
C53A C 0.799(3) 0.796(3) 0.4679(17) 0.061(6) Uani 0.524(11) 1 d . U P C 1
C56A C 0.779(4) 0.792(3) 0.541(2) 0.082(7) Uani 0.524(11) 1 d . U P C 1
F4B F 0.634(4) 0.904(3) 0.5287(18) 0.155(7) Uani 0.476(11) 1 d . . P C 2
F5B F 0.664(4) 0.749(3) 0.541(2) 0.120(8) Uani 0.476(11) 1 d . U P C 2
F6B F 0.803(4) 0.906(5) 0.591(2) 0.17(2) Uani 0.476(11) 1 d . . P C 2
C52B C 0.724(3) 0.742(2) 0.4104(19) 0.054(6) Uani 0.476(11) 1 d . . P C 2
H52B H 0.666878 0.681407 0.416032 0.065 Uiso 0.476(11) 1 calc R U P C 2
C53B C 0.747(3) 0.836(3) 0.4609(18) 0.061(6) Uani 0.476(11) 1 d . . P C 2
C56B C 0.713(5) 0.847(4) 0.534(3) 0.082(7) Uani 0.476(11) 1 d . . P C 2
C1 C 1.0666(9) 0.8387(8) -0.0074(6) 0.029(2) Uani 1 1 d . . . . .
H1A H 1.113571 0.906986 0.027468 0.035 Uiso 1 1 calc R U . . .
C2 C 1.0918(9) 0.8123(8) -0.0745(6) 0.030(2) Uani 1 1 d . . . . .
H2A H 1.155137 0.862068 -0.085175 0.036 Uiso 1 1 calc R U . . .
C3 C 1.0248(9) 0.7130(7) -0.1269(6) 0.026(2) Uani 1 1 d . . . . .
C4 C 0.9355(9) 0.6420(7) -0.1060(6) 0.026(2) Uani 1 1 d . . . . .
H4A H 0.888954 0.572770 -0.139516 0.032 Uiso 1 1 calc R U . . .
C5 C 0.9152(8) 0.6719(7) -0.0382(5) 0.023(2) Uani 1 1 d . . . . .
C6 C 1.1311(10) 0.7519(8) -0.2212(6) 0.031(2) Uani 1 1 d . . . . .
C7 C 1.1233(11) 0.8525(8) -0.2234(6) 0.038(3) Uani 1 1 d . . . . .
H7A H 1.062011 0.877793 -0.205784 0.045 Uiso 1 1 calc R U . . .
C8 C 1.2055(13) 0.9148(9) -0.2513(7) 0.046(3) Uani 1 1 d . . . . .
H8A H 1.202222 0.983906 -0.251233 0.055 Uiso 1 1 calc R U . . .
C9 C 1.2928(13) 0.8774(9) -0.2794(7) 0.049(3) Uani 1 1 d . . . . .
C10 C 1.2991(13) 0.7786(10) -0.2777(8) 0.052(3) Uani 1 1 d . . . . .
H10A H 1.358814 0.752709 -0.296599 0.062 Uiso 1 1 calc R U . . .
C11 C 1.2186(11) 0.7158(8) -0.2484(7) 0.038(3) Uani 1 1 d . . . . .
H11A H 1.224172 0.647613 -0.247183 0.045 Uiso 1 1 calc R U . . .
C12 C 1.454(2) 0.9050(14) -0.3392(13) 0.121(9) Uani 1 1 d . . . . .
H12A H 1.501997 0.959144 -0.357384 0.181 Uiso 1 1 calc R U . . .
H12B H 1.515077 0.887676 -0.299925 0.181 Uiso 1 1 calc R U . . .
H12C H 1.403796 0.841233 -0.382048 0.181 Uiso 1 1 calc R U . . .
C13 C 0.9805(11) 0.5765(8) -0.2459(6) 0.034(2) Uani 1 1 d . . . . .
C14 C 0.8803(14) 0.5603(11) -0.3119(9) 0.065(4) Uani 1 1 d . . . . .
H14A H 0.851780 0.617877 -0.321855 0.078 Uiso 1 1 calc R U . . .
C15 C 0.8212(18) 0.4611(13) -0.3638(10) 0.087(6) Uani 1 1 d . . . . .
H15A H 0.753203 0.450667 -0.409702 0.104 Uiso 1 1 calc R U . . .
C16 C 0.8604(16) 0.3781(11) -0.3491(8) 0.068(4) Uani 1 1 d . . . . .
C17 C 0.9594(13) 0.3916(9) -0.2834(8) 0.052(3) Uani 1 1 d . . . . .
H17A H 0.987776 0.333531 -0.274620 0.062 Uiso 1 1 calc R U . . .
C18 C 1.0183(11) 0.4917(9) -0.2294(7) 0.043(3) Uani 1 1 d . . . . .
H18A H 1.083021 0.501233 -0.182289 0.051 Uiso 1 1 calc R U . . .
C20 C 0.7351(9) 0.5828(7) 0.0838(6) 0.029(2) Uani 1 1 d . . . . .
H20A H 0.728712 0.612808 0.131833 0.034 Uiso 1 1 calc R U . . .
C21 C 0.6619(9) 0.4814(8) 0.0455(6) 0.030(2) Uani 1 1 d . . . . .
H21A H 0.605056 0.442537 0.066481 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6695(9) 0.4337(7) -0.0248(6) 0.027(2) Uani 1 1 d . . . . .
C23 C 0.7502(9) 0.4977(7) -0.0541(6) 0.027(2) Uani 1 1 d . . . . .
H23A H 0.755437 0.469434 -0.102821 0.033 Uiso 1 1 calc R U . . .
C24 C 0.8226(9) 0.6019(7) -0.0127(6) 0.026(2) Uani 1 1 d . . . . .
C25 C 0.5371(9) 0.2558(7) -0.0322(6) 0.030(2) Uani 1 1 d . . . . .
C26 C 0.6054(10) 0.2348(8) 0.0315(6) 0.032(2) Uani 1 1 d . . . . .
H26A H 0.694789 0.274424 0.056413 0.039 Uiso 1 1 calc R U . . .
C27 C 0.5478(9) 0.1572(7) 0.0606(6) 0.030(2) Uani 1 1 d . . . . .
H27A H 0.596506 0.144030 0.105004 0.036 Uiso 1 1 calc R U . . .
C28 C 0.4171(9) 0.0992(7) 0.0232(7) 0.031(2) Uani 1 1 d . . . . .
C29 C 0.3469(10) 0.1198(8) -0.0410(7) 0.036(3) Uani 1 1 d . . . . .
H29A H 0.257667 0.079988 -0.066350 0.044 Uiso 1 1 calc R U . . .
C30 C 0.4058(10) 0.1975(8) -0.0678(6) 0.035(2) Uani 1 1 d . . . . .
H30A H 0.356571 0.212093 -0.111388 0.041 Uiso 1 1 calc R U . . .
C31 C 0.4170(11) 0.0030(9) 0.1154(7) 0.044(3) Uani 1 1 d . . . . .
H31A H 0.360007 -0.055658 0.125512 0.065 Uiso 1 1 calc R U . . .
H31B H 0.495018 -0.013934 0.111408 0.065 Uiso 1 1 calc R U . . .
H31C H 0.442210 0.067600 0.157380 0.065 Uiso 1 1 calc R U . . .
C32 C 0.6130(10) 0.2844(7) -0.1380(6) 0.031(2) Uani 1 1 d . . . . .
C33 C 0.5167(12) 0.2667(10) -0.2064(7) 0.052(3) Uani 1 1 d . . . . .
H33A H 0.443932 0.290076 -0.206240 0.062 Uiso 1 1 calc R U . . .
C34 C 0.5241(17) 0.2166(13) -0.2739(9) 0.081(6) Uani 1 1 d . . . . .
H34A H 0.456103 0.203381 -0.320375 0.098 Uiso 1 1 calc R U . . .
C35 C 0.6303(19) 0.1852(11) -0.2744(9) 0.077(6) Uani 1 1 d . . . . .
C36 C 0.7293(15) 0.2060(9) -0.2078(9) 0.056(4) Uani 1 1 d . . . . .
H36A H 0.804506 0.186590 -0.208404 0.067 Uiso 1 1 calc R U . . .
C37 C 0.7194(12) 0.2547(9) -0.1403(7) 0.042(3) Uani 1 1 d . . . . .
H37A H 0.788021 0.268358 -0.094017 0.050 Uiso 1 1 calc R U . . .
C39 C 1.0499(8) 0.9511(8) 0.1515(6) 0.031(2) Uani 1 1 d . . . . .
C40 C 1.1176(9) 1.0379(7) 0.1663(6) 0.030(2) Uani 1 1 d . . . . .
C41 C 1.2118(10) 1.1419(7) 0.1879(6) 0.030(2) Uani 1 1 d . . . . .
C42 C 1.2645(12) 1.2040(8) 0.2626(7) 0.048(3) Uani 1 1 d . . . . .
H42A H 1.237644 1.179225 0.301042 0.057 Uiso 1 1 calc R U . . .
C43 C 1.3564(13) 1.3023(9) 0.2820(8) 0.058(4) Uani 1 1 d . . . . .
H43A H 1.391816 1.344867 0.333695 0.070 Uiso 1 1 calc R U . . .
C44 C 1.3972(12) 1.3391(8) 0.2271(8) 0.047(3) Uani 1 1 d . . . . .
C45 C 1.3437(10) 1.2800(8) 0.1532(7) 0.036(3) Uani 1 1 d . . . . .
H45A H 1.370851 1.305313 0.114998 0.043 Uiso 1 1 calc R U . . .
C46 C 1.2487(10) 1.1821(8) 0.1330(7) 0.034(2) Uani 1 1 d . . . . .
H46A H 1.208803 1.142377 0.080712 0.040 Uiso 1 1 calc R U . . .
C47 C 1.4968(15) 1.4460(10) 0.2502(10) 0.062(4) Uani 1 1 d . . . . .
C48 C 0.8900(10) 0.8137(7) 0.2038(6) 0.028(2) Uani 1 1 d . . . . .
C49 C 0.8641(10) 0.8156(8) 0.2616(6) 0.032(2) Uani 1 1 d . . . . .
C50 C 0.8340(11) 0.8158(9) 0.3305(6) 0.041(3) Uani 1 1 d . . . . .
C51 C 0.7802(16) 0.7210(12) 0.3442(8) 0.083(6) Uani 1 1 d . . . . .
H51A H 0.741131 0.660563 0.300810 0.099 Uiso 1 1 calc R U . C 1
C54 C 0.8313(18) 0.9108(15) 0.4521(8) 0.093(6) Uani 1 1 d . U . . .
H54A H 0.830624 0.972702 0.485459 0.111 Uiso 1 1 calc R U . C 1
C55 C 0.8596(13) 0.9105(11) 0.3860(7) 0.056(3) Uani 1 1 d . . . . .
H55A H 0.897468 0.975888 0.377751 0.067 Uiso 1 1 calc R U . . .
N1 N 0.9763(7) 0.7703(6) 0.0113(5) 0.0256(18) Uani 1 1 d . . . . .
N2 N 1.0456(8) 0.6821(6) -0.1948(5) 0.033(2) Uani 1 1 d . . . . .
N3 N 0.8177(7) 0.6444(6) 0.0572(4) 0.0216(17) Uani 1 1 d . U . . .
N4 N 0.6010(8) 0.3305(6) -0.0665(5) 0.031(2) Uani 1 1 d . . . . .
O1 O 1.3671(11) 0.9444(7) -0.3074(6) 0.073(3) Uani 1 1 d . . . . .
O2 O 0.8046(16) 0.2810(9) -0.4037(9) 0.123(6) Uani 1 1 d . . . . .
O3 O 0.3500(7) 0.0191(5) 0.0457(5) 0.0393(19) Uani 1 1 d . . . . .
O4 O 0.6356(12) 0.1319(10) -0.3437(6) 0.097(4) Uani 1 1 d . . . . .
Pt1 Pt 0.93410(4) 0.80060(3) 0.11078(2) 0.02693(15) 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
F1A C47 1.37(3) . ?
F2A C47 1.33(2) . ?
F3A C47 1.39(3) . ?
F1B C47 1.23(6) . ?
F2B C47 1.29(5) . ?
F3B C47 1.24(6) . ?
C19A O2 1.34(4) . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C38A O4 1.64(3) . ?
C38A H38A 0.9800 . ?
C38A H38B 0.9800 . ?
C38A H38C 0.9800 . ?
C19B O2 1.45(5) . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C38B O4 1.65(3) . ?
C38B H38D 0.9800 . ?
C38B H38E 0.9800 . ?
C38B H38F 0.9800 . ?
F4A C56A 1.27(4) . ?
F5A C56A 1.41(5) . ?
F6A C56A 1.30(6) . ?
C52A C51 1.33(3) . ?
C52A C53A 1.40(4) . ?
C52A H52A 0.9500 . ?
C53A C56A 1.46(4) . ?
C53A C54 1.62(4) . ?
F4B C56B 1.31(5) . ?
F5B C56B 1.35(6) . ?
F6B C56B 1.22(6) . ?
C52B C53B 1.36(5) . ?
C52B C51 1.56(3) . ?
C52B H52B 0.9500 . ?
C53B C54 1.28(4) . ?
C53B C56B 1.53(5) . ?
C1 N1 1.373(11) . ?
C1 C2 1.374(14) . ?
C1 H1A 0.9500 . ?
C2 C3 1.392(13) . ?
C2 H2A 0.9500 . ?
C3 N2 1.371(12) . ?
C3 C4 1.409(13) . ?
C4 C5 1.366(13) . ?
C4 H4A 0.9500 . ?
C5 N1 1.357(11) . ?
C5 C24 1.481(13) . ?
C6 C11 1.375(14) . ?
C6 C7 1.400(14) . ?
C6 N2 1.443(12) . ?
C7 C8 1.381(15) . ?
C7 H7A 0.9500 . ?
C8 C9 1.390(17) . ?
C8 H8A 0.9500 . ?
C9 O1 1.366(13) . ?
C9 C10 1.370(17) . ?
C10 C11 1.391(15) . ?
C10 H10A 0.9500 . ?
C11 H11A 0.9500 . ?
C12 O1 1.433(19) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.378(18) . ?
C13 C18 1.387(16) . ?
C13 N2 1.443(13) . ?
C14 C15 1.38(2) . ?
C14 H14A 0.9500 . ?
C15 C16 1.36(2) . ?
C15 H15A 0.9500 . ?
C16 C17 1.37(2) . ?
C16 O2 1.380(17) . ?
C17 C18 1.406(16) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C20 C21 1.351(13) . ?
C20 N3 1.363(12) . ?
C20 H20A 0.9500 . ?
C21 C22 1.394(14) . ?
C21 H21A 0.9500 . ?
C22 N4 1.373(12) . ?
C22 C23 1.402(13) . ?
C23 C24 1.389(13) . ?
C23 H23A 0.9500 . ?
C24 N3 1.356(12) . ?
C25 C26 1.370(15) . ?
C25 C30 1.394(14) . ?
C25 N4 1.459(12) . ?
C26 C27 1.388(14) . ?
C26 H26A 0.9500 . ?
C27 C28 1.392(14) . ?
C27 H27A 0.9500 . ?
C28 O3 1.375(11) . ?
C28 C29 1.384(16) . ?
C29 C30 1.367(15) . ?
C29 H29A 0.9500 . ?
C30 H30A 0.9500 . ?
C31 O3 1.424(14) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C37 1.365(15) . ?
C32 C33 1.381(16) . ?
C32 N4 1.432(13) . ?
C33 C34 1.36(2) . ?
C33 H33A 0.9500 . ?
C34 C35 1.37(2) . ?
C34 H34A 0.9500 . ?
C35 C36 1.37(2) . ?
C35 O4 1.393(16) . ?
C36 C37 1.364(17) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C39 C40 1.166(13) . ?
C39 Pt1 2.000(9) . ?
C40 C41 1.445(13) . ?
C41 C42 1.376(15) . ?
C41 C46 1.379(15) . ?
C42 C43 1.382(16) . ?
C42 H42A 0.9500 . ?
C43 C44 1.376(18) . ?
C43 H43A 0.9500 . ?
C44 C45 1.353(17) . ?
C44 C47 1.498(16) . ?
C45 C46 1.392(14) . ?
C45 H45A 0.9500 . ?
C46 H46A 0.9500 . ?
C48 C49 1.205(14) . ?
C48 Pt1 1.942(10) . ?
C49 C50 1.433(15) . ?
C50 C51 1.390(16) . ?
C50 C55 1.399(17) . ?
C51 H51A 0.9500 . ?
C54 C55 1.372(19) . ?
C54 H54A 0.9500 . ?
C55 H55A 0.9500 . ?
N1 Pt1 2.053(8) . ?
N3 Pt1 2.077(7) . ?

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
O2 C19A H19A 109.5 . . ?
O2 C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
O2 C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
O4 C38A H38A 109.5 . . ?
O4 C38A H38B 109.5 . . ?
H38A C38A H38B 109.5 . . ?
O4 C38A H38C 109.5 . . ?
H38A C38A H38C 109.5 . . ?
H38B C38A H38C 109.5 . . ?
O2 C19B H19D 109.5 . . ?
O2 C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
O2 C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
O4 C38B H38D 109.5 . . ?
O4 C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
O4 C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?
C51 C52A C53A 114(2) . . ?
C51 C52A H52A 123.0 . . ?
C53A C52A H52A 123.0 . . ?
C52A C53A C56A 122(3) . . ?
C52A C53A C54 121(2) . . ?
C56A C53A C54 117(3) . . ?
F4A C56A F6A 105(4) . . ?
F4A C56A F5A 100(3) . . ?
F6A C56A F5A 106(4) . . ?
F4A C56A C53A 115(3) . . ?
F6A C56A C53A 116(3) . . ?
F5A C56A C53A 113(3) . . ?
C53B C52B C51 127(3) . . ?
C53B C52B H52B 116.5 . . ?
C51 C52B H52B 116.5 . . ?
C54 C53B C52B 112(3) . . ?
C54 C53B C56B 122(3) . . ?
C52B C53B C56B 123(3) . . ?
F6B C56B F4B 100(5) . . ?
F6B C56B F5B 114(5) . . ?
F4B C56B F5B 116(4) . . ?
F6B C56B C53B 113(4) . . ?
F4B C56B C53B 105(4) . . ?
F5B C56B C53B 109(4) . . ?
N1 C1 C2 122.6(9) . . ?
N1 C1 H1A 118.7 . . ?
C2 C1 H1A 118.7 . . ?
C1 C2 C3 120.2(9) . . ?
C1 C2 H2A 119.9 . . ?
C3 C2 H2A 119.9 . . ?
N2 C3 C2 123.0(9) . . ?
N2 C3 C4 120.3(8) . . ?
C2 C3 C4 116.8(9) . . ?
C5 C4 C3 120.6(8) . . ?
C5 C4 H4A 119.7 . . ?
C3 C4 H4A 119.7 . . ?
N1 C5 C4 122.6(8) . . ?
N1 C5 C24 113.8(8) . . ?
C4 C5 C24 123.6(8) . . ?
C11 C6 C7 119.4(9) . . ?
C11 C6 N2 118.4(9) . . ?
C7 C6 N2 122.2(9) . . ?
C8 C7 C6 119.6(10) . . ?
C8 C7 H7A 120.2 . . ?
C6 C7 H7A 120.2 . . ?
C7 C8 C9 120.8(10) . . ?
C7 C8 H8A 119.6 . . ?
C9 C8 H8A 119.6 . . ?
O1 C9 C10 124.8(12) . . ?
O1 C9 C8 115.9(11) . . ?
C10 C9 C8 119.3(11) . . ?
C9 C10 C11 120.5(11) . . ?
C9 C10 H10A 119.7 . . ?
C11 C10 H10A 119.7 . . ?
C6 C11 C10 120.4(10) . . ?
C6 C11 H11A 119.8 . . ?
C10 C11 H11A 119.8 . . ?
O1 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 120.0(11) . . ?
C14 C13 N2 119.3(10) . . ?
C18 C13 N2 120.7(10) . . ?
C13 C14 C15 120.4(14) . . ?
C13 C14 H14A 119.8 . . ?
C15 C14 H14A 119.8 . . ?
C16 C15 C14 119.9(15) . . ?
C16 C15 H15A 120.1 . . ?
C14 C15 H15A 120.1 . . ?
C15 C16 C17 121.0(13) . . ?
C15 C16 O2 118.7(16) . . ?
C17 C16 O2 120.2(16) . . ?
C16 C17 C18 119.6(12) . . ?
C16 C17 H17A 120.2 . . ?
C18 C17 H17A 120.2 . . ?
C13 C18 C17 118.9(12) . . ?
C13 C18 H18A 120.5 . . ?
C17 C18 H18A 120.5 . . ?
C21 C20 N3 123.5(9) . . ?
C21 C20 H20A 118.2 . . ?
N3 C20 H20A 118.2 . . ?
C20 C21 C22 120.2(9) . . ?
C20 C21 H21A 119.9 . . ?
C22 C21 H21A 119.9 . . ?
N4 C22 C21 123.9(9) . . ?
N4 C22 C23 119.4(9) . . ?
C21 C22 C23 116.7(8) . . ?
C24 C23 C22 120.8(9) . . ?
C24 C23 H23A 119.6 . . ?
C22 C23 H23A 119.6 . . ?
N3 C24 C23 121.0(9) . . ?
N3 C24 C5 115.3(7) . . ?
C23 C24 C5 123.6(9) . . ?
C26 C25 C30 118.4(9) . . ?
C26 C25 N4 121.5(9) . . ?
C30 C25 N4 119.8(10) . . ?
C25 C26 C27 121.9(9) . . ?
C25 C26 H26A 119.1 . . ?
C27 C26 H26A 119.1 . . ?
C26 C27 C28 118.5(10) . . ?
C26 C27 H27A 120.8 . . ?
C28 C27 H27A 120.8 . . ?
O3 C28 C29 115.9(9) . . ?
O3 C28 C27 123.8(10) . . ?
C29 C28 C27 120.2(9) . . ?
C30 C29 C28 120.0(9) . . ?
C30 C29 H29A 120.0 . . ?
C28 C29 H29A 120.0 . . ?
C29 C30 C25 120.9(10) . . ?
C29 C30 H30A 119.5 . . ?
C25 C30 H30A 119.5 . . ?
O3 C31 H31A 109.5 . . ?
O3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C32 C33 118.1(11) . . ?
C37 C32 N4 120.7(10) . . ?
C33 C32 N4 121.2(10) . . ?
C34 C33 C32 121.1(14) . . ?
C34 C33 H33A 119.4 . . ?
C32 C33 H33A 119.4 . . ?
C33 C34 C35 119.5(16) . . ?
C33 C34 H34A 120.2 . . ?
C35 C34 H34A 120.2 . . ?
C36 C35 C34 120.3(14) . . ?
C36 C35 O4 120.7(18) . . ?
C34 C35 O4 119.0(17) . . ?
C37 C36 C35 119.5(14) . . ?
C37 C36 H36A 120.3 . . ?
C35 C36 H36A 120.3 . . ?
C36 C37 C32 121.4(13) . . ?
C36 C37 H37A 119.3 . . ?
C32 C37 H37A 119.3 . . ?
C40 C39 Pt1 171.8(10) . . ?
C39 C40 C41 174.4(12) . . ?
C42 C41 C46 118.4(9) . . ?
C42 C41 C40 121.4(10) . . ?
C46 C41 C40 120.2(10) . . ?
C41 C42 C43 120.3(11) . . ?
C41 C42 H42A 119.8 . . ?
C43 C42 H42A 119.8 . . ?
C44 C43 C42 120.6(11) . . ?
C44 C43 H43A 119.7 . . ?
C42 C43 H43A 119.7 . . ?
C45 C44 C43 119.7(10) . . ?
C45 C44 C47 121.2(12) . . ?
C43 C44 C47 119.1(12) . . ?
C44 C45 C46 120.0(10) . . ?
C44 C45 H45A 120.0 . . ?
C46 C45 H45A 120.0 . . ?
C41 C46 C45 120.9(11) . . ?
C41 C46 H46A 119.5 . . ?
C45 C46 H46A 119.5 . . ?
F1B C47 F3B 98(4) . . ?
F1B C47 F2B 110(3) . . ?
F3B C47 F2B 108(3) . . ?
F2A C47 F1A 107.0(16) . . ?
F2A C47 F3A 104.4(17) . . ?
F1A C47 F3A 105.4(18) . . ?
F1B C47 C44 112(3) . . ?
F3B C47 C44 116(3) . . ?
F2B C47 C44 111(2) . . ?
F2A C47 C44 114.4(13) . . ?
F1A C47 C44 113.9(15) . . ?
F3A C47 C44 110.9(13) . . ?
C49 C48 Pt1 175.7(9) . . ?
C48 C49 C50 178.7(12) . . ?
C51 C50 C55 118.3(12) . . ?
C51 C50 C49 120.4(11) . . ?
C55 C50 C49 121.3(10) . . ?
C52A C51 C50 128.1(17) . . ?
C50 C51 C52B 110.2(16) . . ?
C52A C51 H51A 115.9 . . ?
C50 C51 H51A 115.9 . . ?
C53B C54 C55 125(2) . . ?
C55 C54 C53A 113.9(17) . . ?
C55 C54 H54A 123.1 . . ?
C53A C54 H54A 123.1 . . ?
C54 C55 C50 121.4(14) . . ?
C54 C55 H55A 119.3 . . ?
C50 C55 H55A 119.3 . . ?
C5 N1 C1 117.1(8) . . ?
C5 N1 Pt1 117.1(6) . . ?
C1 N1 Pt1 125.7(6) . . ?
C3 N2 C6 123.2(8) . . ?
C3 N2 C13 121.8(8) . . ?
C6 N2 C13 115.0(8) . . ?
C24 N3 C20 117.7(8) . . ?
C24 N3 Pt1 115.5(6) . . ?
C20 N3 Pt1 126.8(6) . . ?
C22 N4 C32 122.0(8) . . ?
C22 N4 C25 121.0(9) . . ?
C32 N4 C25 115.5(7) . . ?
C9 O1 C12 116.3(11) . . ?
C19A O2 C16 127(2) . . ?
C16 O2 C19B 113(2) . . ?
C28 O3 C31 116.8(8) . . ?
C35 O4 C38A 109.7(16) . . ?
C35 O4 C38B 114.0(17) . . ?
C48 Pt1 C39 89.9(4) . . ?
C48 Pt1 N1 174.1(4) . . ?
C39 Pt1 N1 95.4(4) . . ?
C48 Pt1 N3 96.4(4) . . ?
C39 Pt1 N3 173.6(4) . . ?
N1 Pt1 N3 78.3(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
C51 C52A C53A C56A 170(3) . . . . ?
C51 C52A C53A C54 -2(4) . . . . ?
C52A C53A C56A F4A 12(5) . . . . ?
C54 C53A C56A F4A -176(3) . . . . ?
C52A C53A C56A F6A 135(4) . . . . ?
C54 C53A C56A F6A -53(5) . . . . ?
C52A C53A C56A F5A -103(4) . . . . ?
C54 C53A C56A F5A 70(4) . . . . ?
C51 C52B C53B C54 -5(5) . . . . ?
C51 C52B C53B C56B -166(3) . . . . ?
C54 C53B C56B F6B -29(7) . . . . ?
C52B C53B C56B F6B 130(5) . . . . ?
C54 C53B C56B F4B 79(5) . . . . ?
C52B C53B C56B F4B -122(4) . . . . ?
C54 C53B C56B F5B -156(4) . . . . ?
C52B C53B C56B F5B 3(6) . . . . ?
N1 C1 C2 C3 0.0(16) . . . . ?
C1 C2 C3 N2 180.0(10) . . . . ?
C1 C2 C3 C4 -2.1(15) . . . . ?
N2 C3 C4 C5 179.4(10) . . . . ?
C2 C3 C4 C5 1.4(14) . . . . ?
C3 C4 C5 N1 1.6(15) . . . . ?
C3 C4 C5 C24 179.6(9) . . . . ?
C11 C6 C7 C8 -1.3(17) . . . . ?
N2 C6 C7 C8 -178.2(10) . . . . ?
C6 C7 C8 C9 2.0(18) . . . . ?
C7 C8 C9 O1 178.4(11) . . . . ?
C7 C8 C9 C10 -2(2) . . . . ?
O1 C9 C10 C11 -179.6(13) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C7 C6 C11 C10 0.1(18) . . . . ?
N2 C6 C11 C10 177.1(11) . . . . ?
C9 C10 C11 C6 0(2) . . . . ?
C18 C13 C14 C15 -3(2) . . . . ?
N2 C13 C14 C15 176.5(13) . . . . ?
C13 C14 C15 C16 1(3) . . . . ?
C14 C15 C16 C17 -1(3) . . . . ?
C14 C15 C16 O2 -176.5(16) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
O2 C16 C17 C18 177.9(13) . . . . ?
C14 C13 C18 C17 4.5(17) . . . . ?
N2 C13 C18 C17 -175.1(10) . . . . ?
C16 C17 C18 C13 -4.0(18) . . . . ?
N3 C20 C21 C22 0.9(16) . . . . ?
C20 C21 C22 N4 178.3(10) . . . . ?
C20 C21 C22 C23 -3.3(15) . . . . ?
N4 C22 C23 C24 -178.8(9) . . . . ?
C21 C22 C23 C24 2.7(14) . . . . ?
C22 C23 C24 N3 0.4(15) . . . . ?
C22 C23 C24 C5 176.4(9) . . . . ?
N1 C5 C24 N3 -3.3(12) . . . . ?
C4 C5 C24 N3 178.5(9) . . . . ?
N1 C5 C24 C23 -179.5(9) . . . . ?
C4 C5 C24 C23 2.3(16) . . . . ?
C30 C25 C26 C27 0.5(15) . . . . ?
N4 C25 C26 C27 -174.3(9) . . . . ?
C25 C26 C27 C28 0.5(15) . . . . ?
C26 C27 C28 O3 178.7(9) . . . . ?
C26 C27 C28 C29 -0.7(15) . . . . ?
O3 C28 C29 C30 -179.5(9) . . . . ?
C27 C28 C29 C30 -0.1(16) . . . . ?
C28 C29 C30 C25 1.1(16) . . . . ?
C26 C25 C30 C29 -1.3(16) . . . . ?
N4 C25 C30 C29 173.6(9) . . . . ?
C37 C32 C33 C34 3.3(17) . . . . ?
N4 C32 C33 C34 -175.6(11) . . . . ?
C32 C33 C34 C35 -2(2) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C33 C34 C35 O4 178.7(13) . . . . ?
C34 C35 C36 C37 2(2) . . . . ?
O4 C35 C36 C37 -177.6(12) . . . . ?
C35 C36 C37 C32 -0.7(18) . . . . ?
C33 C32 C37 C36 -2.1(16) . . . . ?
N4 C32 C37 C36 176.7(10) . . . . ?
C46 C41 C42 C43 -2.8(18) . . . . ?
C40 C41 C42 C43 178.7(12) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
C42 C43 C44 C45 2(2) . . . . ?
C42 C43 C44 C47 180.0(13) . . . . ?
C43 C44 C45 C46 -0.6(18) . . . . ?
C47 C44 C45 C46 -178.3(11) . . . . ?
C42 C41 C46 C45 4.4(16) . . . . ?
C40 C41 C46 C45 -177.1(10) . . . . ?
C44 C45 C46 C41 -2.8(16) . . . . ?
C45 C44 C47 F1B -40(4) . . . . ?
C43 C44 C47 F1B 142(4) . . . . ?
C45 C44 C47 F3B -152(3) . . . . ?
C43 C44 C47 F3B 30(3) . . . . ?
C45 C44 C47 F2B 84(3) . . . . ?
C43 C44 C47 F2B -94(3) . . . . ?
C45 C44 C47 F2A 123.5(19) . . . . ?
C43 C44 C47 F2A -54(2) . . . . ?
C45 C44 C47 F1A 0(2) . . . . ?
C43 C44 C47 F1A -177.8(18) . . . . ?
C45 C44 C47 F3A -118.8(19) . . . . ?
C43 C44 C47 F3A 63(2) . . . . ?
C53A C52A C51 C50 18(4) . . . . ?
C55 C50 C51 C52A -18(3) . . . . ?
C49 C50 C51 C52A 161(2) . . . . ?
C55 C50 C51 C52B 16(2) . . . . ?
C49 C50 C51 C52B -165.2(18) . . . . ?
C53B C52B C51 C50 -15(4) . . . . ?
C52B C53B C54 C55 24(4) . . . . ?
C56B C53B C54 C55 -175(3) . . . . ?
C52A C53A C54 C55 -13(4) . . . . ?
C56A C53A C54 C55 175(2) . . . . ?
C53B C54 C55 C50 -23(4) . . . . ?
C53A C54 C55 C50 13(2) . . . . ?
C51 C50 C55 C54 -1(2) . . . . ?
C49 C50 C55 C54 -179.8(15) . . . . ?
C4 C5 N1 C1 -3.7(14) . . . . ?
C24 C5 N1 C1 178.1(8) . . . . ?
C4 C5 N1 Pt1 -179.8(7) . . . . ?
C24 C5 N1 Pt1 2.0(11) . . . . ?
C2 C1 N1 C5 2.9(14) . . . . ?
C2 C1 N1 Pt1 178.6(8) . . . . ?
C2 C3 N2 C6 -5.0(16) . . . . ?
C4 C3 N2 C6 177.2(9) . . . . ?
C2 C3 N2 C13 176.2(10) . . . . ?
C4 C3 N2 C13 -1.7(15) . . . . ?
C11 C6 N2 C3 132.8(11) . . . . ?
C7 C6 N2 C3 -50.3(15) . . . . ?
C11 C6 N2 C13 -48.3(14) . . . . ?
C7 C6 N2 C13 128.6(11) . . . . ?
C14 C13 N2 C3 105.5(13) . . . . ?
C18 C13 N2 C3 -74.9(14) . . . . ?
C14 C13 N2 C6 -73.5(14) . . . . ?
C18 C13 N2 C6 106.2(12) . . . . ?
C23 C24 N3 C20 -2.8(14) . . . . ?
C5 C24 N3 C20 -179.2(8) . . . . ?
C23 C24 N3 Pt1 179.3(7) . . . . ?
C5 C24 N3 Pt1 3.0(11) . . . . ?
C21 C20 N3 C24 2.3(15) . . . . ?
C21 C20 N3 Pt1 179.8(8) . . . . ?
C21 C22 N4 C32 -179.2(10) . . . . ?
C23 C22 N4 C32 2.4(15) . . . . ?
C21 C22 N4 C25 -14.1(15) . . . . ?
C23 C22 N4 C25 167.6(9) . . . . ?
C37 C32 N4 C22 76.3(13) . . . . ?
C33 C32 N4 C22 -104.9(12) . . . . ?
C37 C32 N4 C25 -89.6(11) . . . . ?
C33 C32 N4 C25 89.2(11) . . . . ?
C26 C25 N4 C22 -57.9(13) . . . . ?
C30 C25 N4 C22 127.4(11) . . . . ?
C26 C25 N4 C32 108.2(11) . . . . ?
C30 C25 N4 C32 -66.5(12) . . . . ?
C10 C9 O1 C12 2(2) . . . . ?
C8 C9 O1 C12 -177.7(15) . . . . ?
C15 C16 O2 C19A 165(3) . . . . ?
C17 C16 O2 C19A -11(3) . . . . ?
C15 C16 O2 C19B -34(3) . . . . ?
C17 C16 O2 C19B 150(3) . . . . ?
C29 C28 O3 C31 -174.4(9) . . . . ?
C27 C28 O3 C31 6.1(14) . . . . ?
C36 C35 O4 C38A -166.5(16) . . . . ?
C34 C35 O4 C38A 13(2) . . . . ?
C36 C35 O4 C38B 9(2) . . . . ?
C34 C35 O4 C38B -170.9(17) . . . . ?

_refine_diff_density_max         3.199
_refine_diff_density_min         -2.397
_refine_diff_density_rms         0.182



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

data_2a
_database_code_depnum_ccdc_archive 'CCDC 2362298'
loop_
_audit_author_name
_audit_author_address
'Wai-Yeung Wong'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2024-08-09 deposited with the CCDC.	2024-09-16 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         'C54 H44 N4 O4 Pt'
_chemical_formula_sum            'C54 H44 N4 O4 Pt'
_chemical_formula_weight         1008.01

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   13.5491(16)
_cell_length_b                   9.8772(12)
_cell_length_c                   33.703(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.076(2)
_cell_angle_gamma                90
_cell_volume                     4453.9(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    20743
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      25.03

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_F_000             2024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    3.202
_shelx_estimated_absorpt_T_min   0.468
_shelx_estimated_absorpt_T_max   0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.434
_exptl_absorpt_correction_T_max  0.562
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20743
_diffrn_reflns_av_unetI/netI     0.0953
_diffrn_reflns_av_R_equivalents  0.0703
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.563
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_full        25.027
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             7788
_reflns_number_gt                5350
_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.
;
# start Validation Reply Form
_vrf_PLAT972_2a                  
;
PROBLEM: Check Calcd Resid. Dens.  0.89Ang From Pt1  -2.95 eA-3  
RESPONSE: We have noted the residual density around the Pt atoms with 
the presence of Q peaks. In this sense, we tried to treat the Pt atoms 
as disordered atoms to model them. However, upon splitting each Pt 
atom into two parts, the coordination geometry of the Pt with the 
donor atoms is unnormal and the resulting molecular structure 
collapsed upon refinement. Thus, the residual density around the Pt 
atoms is not chemically sensible to be assigned as any other elements 
and atoms. In fact, the appearance of residual density has been 
normally observed for heavy metal atoms.
;
# end Validation Reply Form  
_computing_data_collection       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_cell_refinement       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_data_reduction        'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXTL Ver.6.10'
_computing_publication_material  'SHELXTL Ver.6.10'
_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)+(0.0406P)²+9.9082P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7788
_refine_ls_number_parameters     606
_refine_ls_number_restraints     131
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1279
_refine_ls_wR_factor_gt          0.1168
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_restrained_S_all      1.146
_refine_ls_shift/su_max          0.009
_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
C47 C 0.2621(5) -0.0491(7) 0.1844(2) 0.0225(18) Uani 1 1 d D U . . .
C48 C 0.3310(5) -0.0411(8) 0.2053(2) 0.030(2) Uani 1 1 d D U . . .
C49 C 0.4261(6) -0.0311(10) 0.2340(3) 0.049(3) Uani 0.509(7) 1 d D . P A 1
C50 C 0.4365(13) 0.012(2) 0.2753(5) 0.061(4) Uani 0.509(7) 1 d D . P A 1
H50 H 0.377785 0.029576 0.285415 0.073 Uiso 0.509(7) 1 calc R U P A 1
C51 C 0.5259(13) 0.029(2) 0.3017(6) 0.072(5) Uani 0.509(7) 1 d D . P A 1
H51 H 0.528549 0.060667 0.327773 0.087 Uiso 0.509(7) 1 calc R U P A 1
C52 C 0.6098(8) -0.0058(13) 0.2857(4) 0.074(4) Uani 0.509(7) 1 d D . P A 1
H52 H 0.669364 -0.013009 0.303548 0.089 Uiso 0.509(7) 1 calc R U P A 1
C53 C 0.6138(12) -0.028(2) 0.2496(5) 0.054(4) Uani 0.509(7) 1 d D . P A 1
H53 H 0.675174 -0.032524 0.240518 0.065 Uiso 0.509(7) 1 calc R U P A 1
C54 C 0.5258(11) -0.0471(19) 0.2231(5) 0.049(4) Uani 0.509(7) 1 d D . P A 1
H54 H 0.530260 -0.071431 0.196780 0.059 Uiso 0.509(7) 1 calc R U P A 1
C39 C 0.1460(7) -0.2057(8) 0.1221(3) 0.033(2) Uani 1 1 d D . . B 1
C40 C 0.1476(7) -0.3071(8) 0.1103(3) 0.040(2) Uani 1 1 d D . . B 1
C41 C 0.1428(7) -0.4403(8) 0.0891(3) 0.038(2) Uani 1 1 d D . . B 1
C42 C 0.2207(9) -0.5332(11) 0.0956(4) 0.076(4) Uani 1 1 d D . . B 1
H42 H 0.278366 -0.510626 0.113204 0.091 Uiso 1 1 calc R U . B 1
C43 C 0.2153(13) -0.6585(14) 0.0769(5) 0.102(6) Uani 1 1 d D . . B 1
H43 H 0.268015 -0.719496 0.082208 0.123 Uiso 1 1 calc R U . B 1
C44 C 0.1311(14) -0.6914(13) 0.0504(4) 0.093(6) Uani 1 1 d D . . B 1
H44 H 0.126984 -0.774995 0.037587 0.112 Uiso 1 1 calc R U . B 1
C45 C 0.0586(11) -0.6086(13) 0.0432(4) 0.076(4) Uani 1 1 d D . . B 1
H45 H 0.003021 -0.632630 0.024676 0.091 Uiso 1 1 calc R U . B 1
C46 C 0.0596(8) -0.4848(10) 0.0620(3) 0.058(3) Uani 1 1 d D . . B 1
H46 H 0.003712 -0.429120 0.056566 0.070 Uiso 1 1 calc R U . B 1
C49B C 0.4261(6) -0.0311(10) 0.2340(3) 0.049(3) Uani 0.491(7) 1 d . . P A 2
C50B C 0.4664(17) 0.092(3) 0.2434(7) 0.061(4) Uani 0.491(7) 1 d . . P A 2
H50B H 0.433166 0.170756 0.233765 0.073 Uiso 0.491(7) 1 calc R U P A 2
C51B C 0.5571(18) 0.098(3) 0.2674(8) 0.072(5) Uani 0.491(7) 1 d . . P A 2
H51B H 0.585751 0.183396 0.271499 0.087 Uiso 0.491(7) 1 calc R U P A 2
C52B C 0.6098(8) -0.0058(13) 0.2857(4) 0.074(4) Uani 0.491(7) 1 d . . P A 2
H52B H 0.670200 0.002646 0.302967 0.089 Uiso 0.491(7) 1 calc R U P A 2
C53B C 0.5579(15) -0.136(3) 0.2744(6) 0.054(4) Uani 0.491(7) 1 d . . P A 2
H53B H 0.588131 -0.214950 0.285590 0.065 Uiso 0.491(7) 1 calc R U P A 2
C54B C 0.4655(15) -0.150(2) 0.2478(6) 0.049(4) Uani 0.491(7) 1 d . . P A 2
H54B H 0.435573 -0.233571 0.240688 0.059 Uiso 0.491(7) 1 calc R U P A 2
Pt1 Pt 0.13643(3) -0.01795(3) 0.14269(2) 0.03194(13) Uani 1 1 d . . . . .
O1 O -0.4442(4) -0.1711(7) -0.09428(18) 0.0451(17) Uani 1 1 d D . . . .
O4 O 0.2488(5) 0.7236(7) 0.34154(18) 0.0475(18) Uani 1 1 d D . . . .
N1 N 0.0125(5) 0.0317(7) 0.1020(2) 0.0369(18) Uani 1 1 d . . . . .
N2 N -0.2377(6) 0.1673(7) 0.0230(2) 0.0398(19) Uani 1 1 d . . . . .
N3 N 0.1096(5) 0.1772(7) 0.1598(2) 0.0334(18) Uani 1 1 d . . . . .
N4 N 0.0074(5) 0.5388(7) 0.2028(2) 0.0365(18) Uani 1 1 d . . . . .
C1 C -0.0298(7) -0.0426(9) 0.0701(3) 0.042(2) Uani 1 1 d . . . . .
H1 H -0.002010 -0.126635 0.066053 0.050 Uiso 1 1 calc R U . . .
C2 C -0.1112(7) -0.0014(9) 0.0433(3) 0.042(2) Uani 1 1 d . . . . .
H2 H -0.135721 -0.055370 0.021347 0.051 Uiso 1 1 calc R U . . .
C3 C -0.1571(7) 0.1225(9) 0.0492(3) 0.033(2) Uani 1 1 d . . . . .
C4 C -0.1139(6) 0.1996(9) 0.0820(2) 0.033(2) Uani 1 1 d . . . . .
H4 H -0.142081 0.282499 0.086940 0.039 Uiso 1 1 calc R U . . .
C5 C -0.0298(6) 0.1550(8) 0.1072(2) 0.030(2) Uani 1 1 d . . . . .
C6 C -0.2903(6) 0.0805(9) -0.0079(3) 0.032(2) Uani 1 1 d . . . . .
C7 C -0.3491(7) -0.0237(10) 0.0015(3) 0.049(3) Uani 1 1 d . . . . .
H7 H -0.355006 -0.038658 0.028313 0.059 Uiso 1 1 calc R U . . .
C8 C -0.3996(7) -0.1067(9) -0.0276(3) 0.038(2) Uani 1 1 d . . . . .
H8 H -0.438872 -0.177417 -0.020629 0.045 Uiso 1 1 calc R U . . .
C9 C -0.3914(6) -0.0840(8) -0.0669(2) 0.033(2) Uani 1 1 d D . . . .
C10 C -0.3320(6) 0.0205(9) -0.0775(3) 0.035(2) Uani 1 1 d . . . . .
H10 H -0.326995 0.036643 -0.104290 0.043 Uiso 1 1 calc R U . . .
C11 C -0.2807(6) 0.0994(9) -0.0476(3) 0.036(2) Uani 1 1 d . . . . .
H11 H -0.238632 0.167158 -0.054309 0.044 Uiso 1 1 calc R U . . .
C12 C -0.4289(8) -0.1599(12) -0.1351(2) 0.065(3) Uani 1 1 d D . . . .
H12A H -0.469557 -0.225517 -0.151130 0.078 Uiso 1 1 calc R U . . .
H12B H -0.447213 -0.070598 -0.144855 0.078 Uiso 1 1 calc R U . . .
H12C H -0.359834 -0.175971 -0.136725 0.078 Uiso 1 1 calc R U . . .
C13 C -0.2864(6) 0.2937(8) 0.0288(3) 0.031(2) Uani 1 1 d D . . . .
C14 C -0.2493(8) 0.4138(10) 0.0151(3) 0.048(3) Uani 1 1 d D . . . .
H14 H -0.192553 0.411980 0.002796 0.058 Uiso 1 1 calc R U . . .
C15 C -0.2963(8) 0.5352(10) 0.0198(3) 0.053(3) Uani 1 1 d D . . . .
H15 H -0.272286 0.614523 0.009926 0.064 Uiso 1 1 calc R U . . .
C16 C -0.3777(7) 0.5393(7) 0.0388(3) 0.041(2) Uani 1 1 d D . . . .
C17 C -0.4162(7) 0.4233(9) 0.0536(2) 0.041(2) Uani 1 1 d D . . . .
H17 H -0.472641 0.426456 0.066147 0.049 Uiso 1 1 calc R U . . .
C18 C -0.3653(6) 0.2970(9) 0.0489(3) 0.033(2) Uani 1 1 d D . . . .
H18 H -0.386767 0.217700 0.059760 0.040 Uiso 1 1 calc R U . . .
O2 O -0.4199(5) 0.6642(6) 0.0430(2) 0.0542(19) Uani 1 1 d D . . . .
C19 C -0.5056(7) 0.6708(11) 0.0628(3) 0.069(4) Uani 1 1 d D . . . .
H19A H -0.527305 0.763144 0.063606 0.082 Uiso 1 1 calc R U . . .
H19B H -0.558372 0.617010 0.048319 0.082 Uiso 1 1 calc R U . . .
H19C H -0.488567 0.636814 0.089650 0.082 Uiso 1 1 calc R U . . .
C20 C 0.1634(7) 0.2461(9) 0.1898(3) 0.034(2) Uani 1 1 d . . . . .
H20 H 0.223840 0.209495 0.201984 0.041 Uiso 1 1 calc R U . . .
C21 C 0.1340(7) 0.3677(9) 0.2034(3) 0.035(2) Uani 1 1 d . . . . .
H21 H 0.175457 0.413839 0.223584 0.042 Uiso 1 1 calc R U . . .
C22 C 0.0407(6) 0.4228(9) 0.1868(3) 0.029(2) Uani 1 1 d . . . . .
C23 C -0.0126(6) 0.3543(8) 0.1538(3) 0.032(2) Uani 1 1 d . . . . .
H23 H -0.071670 0.390965 0.140243 0.039 Uiso 1 1 calc R U . . .
C24 C 0.0219(6) 0.2337(8) 0.1414(2) 0.028(2) Uani 1 1 d . . . . .
C25 C 0.0653(6) 0.5944(9) 0.2387(3) 0.032(2) Uani 1 1 d . . . . .
C26 C 0.0671(7) 0.5306(9) 0.2757(3) 0.038(2) Uani 1 1 d . . . . .
H26 H 0.025275 0.457146 0.277825 0.046 Uiso 1 1 calc R U . . .
C27 C 0.1299(7) 0.5754(9) 0.3086(3) 0.037(2) Uani 1 1 d . . . . .
H27 H 0.132950 0.529579 0.332896 0.045 Uiso 1 1 calc R U . . .
C28 C 0.1886(6) 0.6874(9) 0.3063(3) 0.039(2) Uani 1 1 d D . . . .
C29 C 0.1857(7) 0.7553(9) 0.2703(3) 0.036(2) Uani 1 1 d . . . . .
H29 H 0.224313 0.832363 0.268686 0.044 Uiso 1 1 calc R U . . .
C30 C 0.1242(6) 0.7062(8) 0.2367(3) 0.032(2) Uani 1 1 d . . . . .
H30 H 0.122859 0.750014 0.212195 0.039 Uiso 1 1 calc R U . . .
C31 C 0.3123(8) 0.8380(11) 0.3397(3) 0.067(3) Uani 1 1 d D . . . .
H31A H 0.350578 0.853978 0.365746 0.080 Uiso 1 1 calc R U . . .
H31B H 0.356653 0.820631 0.320720 0.080 Uiso 1 1 calc R U . . .
H31C H 0.272253 0.916203 0.331382 0.080 Uiso 1 1 calc R U . . .
C32 C -0.0787(19) 0.613(4) 0.1825(7) 0.027(3) Uani 0.580(12) 1 d D U P C 1
C33 C -0.1465(13) 0.641(2) 0.2087(6) 0.038(6) Uani 0.580(12) 1 d D . P C 1
H33 H -0.128468 0.621068 0.235885 0.045 Uiso 0.580(12) 1 calc R U P C 1
C34 C -0.2395(15) 0.696(2) 0.1955(7) 0.046(6) Uani 0.580(12) 1 d D . P C 1
H34 H -0.290138 0.693751 0.211196 0.055 Uiso 0.580(12) 1 calc R U P C 1
C35 C -0.253(3) 0.755(6) 0.1585(11) 0.047(6) Uani 0.580(12) 1 d D . P C 1
C36 C -0.1820(18) 0.749(3) 0.1337(6) 0.049(6) Uani 0.580(12) 1 d D . P C 1
H36 H -0.188974 0.800355 0.110354 0.058 Uiso 0.580(12) 1 calc R U P C 1
C37 C -0.0951(19) 0.660(3) 0.1440(6) 0.045(7) Uani 0.580(12) 1 d D U P C 1
H37 H -0.053843 0.636937 0.125465 0.054 Uiso 0.580(12) 1 calc R U P C 1
O3 O -0.3380(12) 0.832(2) 0.1471(5) 0.061(4) Uani 0.580(12) 1 d D . P C 1
C38 C -0.3418(16) 0.910(2) 0.1113(5) 0.074(5) Uani 0.580(12) 1 d D U P C 1
H38A H -0.403779 0.959085 0.106402 0.088 Uiso 0.580(12) 1 calc R U P C 1
H38B H -0.287082 0.973129 0.114496 0.088 Uiso 0.580(12) 1 calc R U P C 1
H38C H -0.337077 0.851347 0.089057 0.088 Uiso 0.580(12) 1 calc R U P C 1
C32B C -0.088(3) 0.608(5) 0.1894(10) 0.027(3) Uani 0.420(12) 1 d D U P C 2
C33B C -0.085(2) 0.663(4) 0.1513(8) 0.038(6) Uani 0.420(12) 1 d D U P C 2
H33B H -0.041590 0.646140 0.131080 0.045 Uiso 0.4198 1 d . U P C 2
C34B C -0.170(3) 0.719(5) 0.1286(9) 0.046(6) Uani 0.420(12) 1 d D . P C 2
H34B H -0.185250 0.770580 0.105650 0.055 Uiso 0.4198 1 d . U P C 2
C35B C -0.241(5) 0.767(10) 0.1497(13) 0.047(6) Uani 0.420(12) 1 d D . P C 2
C36B C -0.237(2) 0.737(4) 0.1899(9) 0.049(6) Uani 0.420(12) 1 d D . P C 2
H36B H -0.287470 0.729140 0.209050 0.058 Uiso 0.4198 1 d . U P C 2
C37B C -0.170(2) 0.628(4) 0.2072(10) 0.045(7) Uani 0.420(12) 1 d D U P C 2
H37B H -0.148000 0.601000 0.234440 0.054 Uiso 0.4198 1 d . U P C 2
O3B O -0.3179(19) 0.842(3) 0.1295(6) 0.061(4) Uani 0.420(12) 1 d D . P C 2
C38B C -0.3878(18) 0.901(3) 0.1520(8) 0.074(5) Uani 0.420(12) 1 d D . P C 2
H38D H -0.437507 0.950552 0.134203 0.088 Uiso 0.420(12) 1 calc R U P C 2
H38E H -0.419488 0.831635 0.165309 0.088 Uiso 0.420(12) 1 calc R U P C 2
H38F H -0.353247 0.962344 0.171683 0.088 Uiso 0.420(12) 1 calc R U P C 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
C47 C48 1.080(6) . ?
C47 Pt1 2.053(7) . ?
C48 C49B 1.487(7) . ?
C48 C49 1.487(7) . ?
C49 C50 1.442(16) . ?
C49 C54 1.462(15) . ?
C50 C51 1.395(19) . ?
C50 H50 0.9300 . ?
C51 C52 1.376(19) . ?
C51 H51 0.9300 . ?
C52 C53 1.247(17) . ?
C52 H52 0.9300 . ?
C53 C54 1.385(17) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C39 C40 1.080(6) . ?
C39 Pt1 1.991(8) . ?
C40 C41 1.494(10) . ?
C41 C42 1.390(12) . ?
C41 C46 1.405(12) . ?
C42 C43 1.386(15) . ?
C42 H42 0.9300 . ?
C43 C44 1.372(17) . ?
C43 H43 0.9300 . ?
C44 C45 1.271(16) . ?
C44 H44 0.9300 . ?
C45 C46 1.376(14) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C49B C54B 1.35(2) . ?
C49B C50B 1.35(3) . ?
C50B C51B 1.36(3) . ?
C50B H50B 0.9300 . ?
C51B C52B 1.34(3) . ?
C51B H51B 0.9300 . ?
C52B C53B 1.49(3) . ?
C52B H52B 0.9300 . ?
C53B C54B 1.43(3) . ?
C53B H53B 0.9300 . ?
C54B H54B 0.9300 . ?
Pt1 N1 2.053(8) . ?
Pt1 N3 2.061(7) . ?
O1 C9 1.377(7) . ?
O1 C12 1.427(8) . ?
O4 C28 1.376(8) . ?
O4 C31 1.427(8) . ?
N1 C1 1.353(11) . ?
N1 C5 1.368(10) . ?
N2 C3 1.366(11) . ?
N2 C13 1.439(11) . ?
N2 C6 1.447(11) . ?
N3 C20 1.334(11) . ?
N3 C24 1.370(10) . ?
N4 C22 1.373(10) . ?
N4 C25 1.443(11) . ?
N4 C32 1.454(17) . ?
N4 C32B 1.46(2) . ?
C1 C2 1.372(13) . ?
C1 H1 0.9300 . ?
C2 C3 1.401(12) . ?
C2 H2 0.9300 . ?
C3 C4 1.391(12) . ?
C4 C5 1.382(11) . ?
C4 H4 0.9300 . ?
C5 C24 1.472(11) . ?
C6 C7 1.370(12) . ?
C6 C11 1.376(12) . ?
C7 C8 1.377(12) . ?
C7 H7 0.9300 . ?
C8 C9 1.364(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.391(11) . ?
C10 C11 1.372(12) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C18 1.354(11) . ?
C13 C14 1.394(12) . ?
C14 C15 1.378(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.361(12) . ?
C15 H15 0.9300 . ?
C16 O2 1.377(7) . ?
C16 C17 1.385(12) . ?
C17 C18 1.447(11) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
O2 C19 1.428(8) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.368(12) . ?
C20 H20 0.9300 . ?
C21 C22 1.409(11) . ?
C21 H21 0.9300 . ?
C22 C23 1.401(11) . ?
C23 C24 1.369(11) . ?
C23 H23 0.9300 . ?
C25 C30 1.370(12) . ?
C25 C26 1.392(12) . ?
C26 C27 1.362(12) . ?
C26 H26 0.9300 . ?
C27 C28 1.373(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.382(12) . ?
C29 C30 1.384(11) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C37 1.363(17) . ?
C32 C33 1.399(18) . ?
C33 C34 1.382(18) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(18) . ?
C34 H34 0.9300 . ?
C35 O3 1.376(8) . ?
C35 C36 1.38(2) . ?
C36 C37 1.465(18) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
O3 C38 1.428(9) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C32B C37B 1.36(2) . ?
C32B C33B 1.40(2) . ?
C33B C34B 1.39(2) . ?
C33B H33B 0.9849 . ?
C34B C35B 1.36(2) . ?
C34B H34B 0.9245 . ?
C35B O3B 1.371(15) . ?
C35B C36B 1.38(2) . ?
C36B C37B 1.47(2) . ?
C36B H36B 1.0158 . ?
C37B H37B 0.9554 . ?
O3B C38B 1.432(17) . ?
C38B H38D 0.9600 . ?
C38B H38E 0.9600 . ?
C38B H38F 0.9600 . ?

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
C48 C47 Pt1 166.9(8) . . ?
C47 C48 C49B 179.6(10) . . ?
C47 C48 C49 179.6(10) . . ?
C50 C49 C54 108.7(10) . . ?
C50 C49 C48 126.2(10) . . ?
C54 C49 C48 124.7(9) . . ?
C51 C50 C49 126.4(15) . . ?
C51 C50 H50 116.8 . . ?
C49 C50 H50 116.8 . . ?
C52 C51 C50 114.2(16) . . ?
C52 C51 H51 122.9 . . ?
C50 C51 H51 122.9 . . ?
C53 C52 C51 126.3(13) . . ?
C53 C52 H52 116.8 . . ?
C51 C52 H52 116.8 . . ?
C52 C53 C54 119.1(15) . . ?
C52 C53 H53 120.4 . . ?
C54 C53 H53 120.4 . . ?
C53 C54 C49 124.0(14) . . ?
C53 C54 H54 118.0 . . ?
C49 C54 H54 118.0 . . ?
C40 C39 Pt1 177.3(10) . . ?
C39 C40 C41 172.8(11) . . ?
C42 C41 C46 114.1(9) . . ?
C42 C41 C40 122.1(9) . . ?
C46 C41 C40 123.8(8) . . ?
C43 C42 C41 122.2(12) . . ?
C43 C42 H42 118.9 . . ?
C41 C42 H42 118.9 . . ?
C44 C43 C42 119.1(12) . . ?
C44 C43 H43 120.5 . . ?
C42 C43 H43 120.5 . . ?
C45 C44 C43 120.7(13) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C44 C45 C46 122.2(13) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C45 C46 C41 121.7(11) . . ?
C45 C46 H46 119.2 . . ?
C41 C46 H46 119.2 . . ?
C54B C49B C50B 125.8(14) . . ?
C54B C49B C48 115.0(12) . . ?
C50B C49B C48 119.2(12) . . ?
C49B C50B C51B 118(2) . . ?
C49B C50B H50B 121.0 . . ?
C51B C50B H50B 121.0 . . ?
C52B C51B C50B 127(2) . . ?
C52B C51B H51B 116.4 . . ?
C50B C51B H51B 116.4 . . ?
C51B C52B C53B 110.3(15) . . ?
C51B C52B H52B 124.8 . . ?
C53B C52B H52B 124.8 . . ?
C54B C53B C52B 125.3(18) . . ?
C54B C53B H53B 117.4 . . ?
C52B C53B H53B 117.4 . . ?
C49B C54B C53B 113.1(19) . . ?
C49B C54B H54B 123.5 . . ?
C53B C54B H54B 123.5 . . ?
C39 Pt1 N1 94.7(3) . . ?
C39 Pt1 C47 90.4(3) . . ?
N1 Pt1 C47 174.8(3) . . ?
C39 Pt1 N3 173.1(3) . . ?
N1 Pt1 N3 78.6(3) . . ?
C47 Pt1 N3 96.4(3) . . ?
C9 O1 C12 117.3(7) . . ?
C28 O4 C31 116.5(8) . . ?
C1 N1 C5 116.8(8) . . ?
C1 N1 Pt1 126.9(6) . . ?
C5 N1 Pt1 116.3(6) . . ?
C3 N2 C13 122.0(7) . . ?
C3 N2 C6 121.8(7) . . ?
C13 N2 C6 115.3(7) . . ?
C20 N3 C24 117.9(7) . . ?
C20 N3 Pt1 126.1(6) . . ?
C24 N3 Pt1 115.6(6) . . ?
C22 N4 C25 118.6(7) . . ?
C22 N4 C32 121.6(15) . . ?
C25 N4 C32 119.5(16) . . ?
C22 N4 C32B 127(2) . . ?
C25 N4 C32B 115(2) . . ?
N1 C1 C2 123.9(8) . . ?
N1 C1 H1 118.0 . . ?
C2 C1 H1 118.0 . . ?
C1 C2 C3 119.6(9) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
N2 C3 C4 121.9(8) . . ?
N2 C3 C2 121.2(8) . . ?
C4 C3 C2 116.8(8) . . ?
C5 C4 C3 121.1(8) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
N1 C5 C4 121.8(8) . . ?
N1 C5 C24 114.4(8) . . ?
C4 C5 C24 123.9(8) . . ?
C7 C6 C11 118.4(8) . . ?
C7 C6 N2 121.0(8) . . ?
C11 C6 N2 120.6(8) . . ?
C6 C7 C8 121.6(9) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C9 C8 C7 119.1(8) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C8 C9 O1 115.8(8) . . ?
C8 C9 C10 120.7(7) . . ?
O1 C9 C10 123.5(8) . . ?
C11 C10 C9 118.6(8) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
C10 C11 C6 121.5(8) . . ?
C10 C11 H11 119.3 . . ?
C6 C11 H11 119.3 . . ?
O1 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C18 C13 C14 120.0(8) . . ?
C18 C13 N2 120.2(8) . . ?
C14 C13 N2 119.8(8) . . ?
C15 C14 C13 120.4(9) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 120.2(8) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 O2 117.1(8) . . ?
C15 C16 C17 121.7(7) . . ?
O2 C16 C17 121.2(8) . . ?
C16 C17 C18 117.4(8) . . ?
C16 C17 H17 121.3 . . ?
C18 C17 H17 121.3 . . ?
C13 C18 C17 120.2(8) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C16 O2 C19 118.1(8) . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 123.3(9) . . ?
N3 C20 H20 118.4 . . ?
C21 C20 H20 118.4 . . ?
C20 C21 C22 119.7(8) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
N4 C22 C23 123.7(8) . . ?
N4 C22 C21 119.7(8) . . ?
C23 C22 C21 116.6(8) . . ?
C24 C23 C22 120.3(8) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 N3 121.9(8) . . ?
C23 C24 C5 123.8(8) . . ?
N3 C24 C5 114.3(7) . . ?
C30 C25 C26 118.8(8) . . ?
C30 C25 N4 120.6(8) . . ?
C26 C25 N4 120.5(8) . . ?
C27 C26 C25 120.2(9) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 120.6(8) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C27 C28 O4 115.5(8) . . ?
C27 C28 C29 120.2(8) . . ?
O4 C28 C29 124.2(8) . . ?
C28 C29 C30 118.7(8) . . ?
C28 C29 H29 120.7 . . ?
C30 C29 H29 120.7 . . ?
C25 C30 C29 121.5(8) . . ?
C25 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
O4 C31 H31A 109.5 . . ?
O4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C32 C33 120.7(14) . . ?
C37 C32 N4 128.2(16) . . ?
C33 C32 N4 111.1(15) . . ?
C34 C33 C32 122.1(17) . . ?
C34 C33 H33 119.0 . . ?
C32 C33 H33 119.0 . . ?
C35 C34 C33 116.8(17) . . ?
C35 C34 H34 121.6 . . ?
C33 C34 H34 121.6 . . ?
C34 C35 O3 118.6(16) . . ?
C34 C35 C36 121.9(13) . . ?
O3 C35 C36 119.4(16) . . ?
C35 C36 C37 119.9(18) . . ?
C35 C36 H36 120.0 . . ?
C37 C36 H36 120.0 . . ?
C32 C37 C36 115.7(17) . . ?
C32 C37 H37 122.1 . . ?
C36 C37 H37 122.1 . . ?
C35 O3 C38 116.8(15) . . ?
O3 C38 H38A 109.5 . . ?
O3 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O3 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37B C32B C33B 119.2(16) . . ?
C37B C32B N4 132(2) . . ?
C33B C32B N4 109(2) . . ?
C34B C33B C32B 121(2) . . ?
C34B C33B H33B 102.8 . . ?
C32B C33B H33B 132.2 . . ?
C35B C34B C33B 116(2) . . ?
C35B C34B H34B 99.3 . . ?
C33B C34B H34B 137.1 . . ?
C34B C35B O3B 118(2) . . ?
C34B C35B C36B 121.0(16) . . ?
O3B C35B C36B 121(2) . . ?
C35B C36B C37B 118(2) . . ?
C35B C36B H36B 135.6 . . ?
C37B C36B H36B 97.5 . . ?
C32B C37B C36B 115(2) . . ?
C32B C37B H37B 103.4 . . ?
C36B C37B H37B 131.6 . . ?
C35B O3B C38B 118(2) . . ?
O3B C38B H38D 109.5 . . ?
O3B C38B H38E 109.5 . . ?
H38D C38B H38E 109.5 . . ?
O3B C38B H38F 109.5 . . ?
H38D C38B H38F 109.5 . . ?
H38E C38B H38F 109.5 . . ?

_refine_diff_density_max         2.500
_refine_diff_density_min         -2.750
_refine_diff_density_rms         0.150



####################################################################### 
# 
# 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_2d
_database_code_depnum_ccdc_archive 'CCDC 2362300'
loop_
_audit_author_name
_audit_author_address
'Wai-Yeung Wong'
;The Hong Kong Polytechnic University
Hong Kong
;
_audit_update_record             
;
2024-08-09 deposited with the CCDC.	2024-09-16 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         'C56 H48 N4 O4 Pt'
_chemical_formula_sum            'C56 H48 N4 O4 Pt'
_chemical_formula_weight         1036.07

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

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

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

_cell_length_a                   27.0282(13)
_cell_length_b                   9.9741(5)
_cell_length_c                   34.5053(17)
_cell_angle_alpha                90
_cell_angle_beta                 97.533(2)
_cell_angle_gamma                90
_cell_volume                     9221.7(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    84420
_cell_measurement_theta_min      2.88
_cell_measurement_theta_max      68.12

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_F_000             4164
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_exptl_absorpt_coefficient_mu    6.105
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4176
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX DUO'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            84428
_diffrn_reflns_av_unetI/netI     0.0222
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.877
_diffrn_reflns_theta_max         68.116
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.920
_diffrn_measured_fraction_theta_full 0.927
_diffrn_reflns_Laue_measured_fraction_max 0.920
_diffrn_reflns_Laue_measured_fraction_full 0.927
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_point_group_measured_fraction_full 0.927
_reflns_number_total             15476
_reflns_number_gt                14181
_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.
;
# start Validation Reply Form
_vrf_PLAT029_2d                  
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .     0.927 Why? 
RESPONSE: This alert is generated from the weak reflections 
at higher theta area because the crystal quality is not satisfactory.
Thus, only 92.7% overall completeness is acquired, but mass spectrum 
and NMR have confirmed the X-ray structural analysis.
;
_vrf_PLAT971_2d                  
;
PROBLEM: Check Calcd Resid. Dens.  1.15Ang From Pt1
RESPONSE: We have noted the residual density around the Pt atoms with 
the presence of Q peaks. In this sense, we tried to treat the Pt atoms 
as disordered atoms to model them. However, upon splitting each Pt 
atom into two parts, the coordination geometry of the Pt with the 
donor atoms is unnormal and the resulting molecular structure 
collapsed upon refinement. Thus, the residual density around the Pt 
atoms is not chemically sensible to be assigned as any other elements 
and atoms. In fact, the appearance of residual density has been 
normally observed for heavy metal atoms.
;
_vrf_PLAT972_2d                  
;
PROBLEM: Check Calcd Resid. Dens.  1.15Ang From Pt1
RESPONSE: We have noted the residual density around the Pt atoms with 
the presence of Q peaks. In this sense, we tried to treat the Pt atoms 
as disordered atoms to model them. However, upon splitting each Pt 
atom into two parts, the coordination geometry of the Pt with the 
donor atoms is unnormal and the resulting molecular structure 
collapsed upon refinement. Thus, the residual density around the Pt 
atoms is not chemically sensible to be assigned as any other elements 
and atoms. In fact, the appearance of residual density has been 
normally observed for heavy metal atoms.
;
_vrf_PLAT911_2d                  
;
PROBLEM: Missing FCF Refl Between Thmin & STh/L=    0.600  1201 Report
RESPONSE: We did not omit these reflections during refinement.
This is probably due to the unsatisfactory completeness
where some expected reflections are too weak to be measured.
;
# end Validation Reply Form 
_computing_data_collection       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_cell_refinement       'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_data_reduction        'APEX2 v2010.1-2 (Bruker, 2010)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'SHELXTL Ver.6.10'
_computing_publication_material  'SHELXTL Ver.6.10'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1173P)²+32.6147P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         15476
_refine_ls_number_parameters     1183
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0625
_refine_ls_R_factor_gt           0.0588
_refine_ls_wR_factor_ref         0.1695
_refine_ls_wR_factor_gt          0.1613
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_refine_ls_shift/su_max          0.002
_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
C1 C 1.0738(2) 0.2300(6) 0.18730(14) 0.0330(12) Uani 1 1 d . . . . .
H1 H 1.103953 0.267315 0.198257 0.040 Uiso 1 1 calc R U . . .
C2 C 1.0600(2) 0.1121(6) 0.20189(15) 0.0328(12) Uani 1 1 d . . . . .
H2 H 1.080315 0.071509 0.222405 0.039 Uiso 1 1 calc R U . . .
C3 C 1.0146(2) 0.0501(6) 0.18603(15) 0.0278(11) Uani 1 1 d . . . . .
C4 C 0.98744(17) 0.1162(5) 0.15416(13) 0.0241(10) Uani 1 1 d . . . . .
H4 H 0.958117 0.078171 0.141809 0.029 Uiso 1 1 calc R U . . .
C5 C 1.00396(17) 0.2381(5) 0.14082(13) 0.0236(10) Uani 1 1 d . . . . .
C6 C 1.0281(2) -0.1159(5) 0.23712(15) 0.0313(11) Uani 1 1 d . . . . .
C7 C 1.0582(2) -0.2259(6) 0.23417(14) 0.0315(11) Uani 1 1 d . . . . .
H7 H 1.056995 -0.270828 0.210458 0.038 Uiso 1 1 calc R U . . .
C8 C 1.0903(2) -0.2700(6) 0.26642(15) 0.0336(12) Uani 1 1 d . . . . .
H8 H 1.110529 -0.344365 0.264392 0.040 Uiso 1 1 calc R U . . .
C9 C 1.0918(2) -0.2022(6) 0.30166(14) 0.0331(12) Uani 1 1 d . . . . .
C10 C 1.0613(2) -0.0935(6) 0.30470(15) 0.0373(13) Uani 1 1 d . . . . .
H10 H 1.062506 -0.048123 0.328349 0.045 Uiso 1 1 calc R U . . .
C11 C 1.0288(2) -0.0513(6) 0.27251(16) 0.0361(12) Uani 1 1 d . . . . .
H11 H 1.007435 0.020519 0.274821 0.043 Uiso 1 1 calc R U . . .
C12 C 1.1574(3) -0.3393(10) 0.3326(2) 0.072(2) Uani 1 1 d . . . . .
H12A H 1.140101 -0.421703 0.325712 0.108 Uiso 1 1 calc R U . . .
H12B H 1.177924 -0.349727 0.357320 0.108 Uiso 1 1 calc R U . . .
H12C H 1.178055 -0.316989 0.312897 0.108 Uiso 1 1 calc R U . . .
C13 C 0.9543(2) -0.1346(5) 0.18710(14) 0.0305(11) Uani 1 1 d . . . . .
C14 C 0.9506(2) -0.1946(6) 0.15159(16) 0.0357(12) Uani 1 1 d . . . . .
H14 H 0.976355 -0.185879 0.136327 0.043 Uiso 1 1 calc R U . . .
C15 C 0.9078(2) -0.2701(6) 0.13778(16) 0.0402(13) Uani 1 1 d . . . . .
H15 H 0.905039 -0.309846 0.113203 0.048 Uiso 1 1 calc R U . . .
C16 C 0.8703(2) -0.2849(6) 0.16068(18) 0.0405(13) Uani 1 1 d . . . . .
C17 C 0.8738(2) -0.2233(7) 0.19637(18) 0.0499(16) Uani 1 1 d . . . . .
H17 H 0.847828 -0.231369 0.211421 0.060 Uiso 1 1 calc R U . . .
C18 C 0.9155(2) -0.1491(6) 0.21023(17) 0.0446(14) Uani 1 1 d . . . . .
H18 H 0.918001 -0.109073 0.234748 0.054 Uiso 1 1 calc R U . . .
C19 C 0.8247(3) -0.4329(8) 0.1163(2) 0.066(2) Uani 1 1 d . . . . .
H19A H 0.826032 -0.373883 0.094453 0.099 Uiso 1 1 calc R U . . .
H19B H 0.793941 -0.482211 0.112666 0.099 Uiso 1 1 calc R U . . .
H19C H 0.852269 -0.494309 0.118058 0.099 Uiso 1 1 calc R U . . .
C20 C 0.9761(2) 0.5166(5) 0.07390(17) 0.0303(13) Uani 1 1 d . . . . .
H20 H 0.989841 0.600505 0.070339 0.036 Uiso 1 1 calc R U . . .
C21 C 0.9355(2) 0.4779(6) 0.04876(18) 0.0334(13) Uani 1 1 d . . . . .
H21 H 0.921971 0.534679 0.028744 0.040 Uiso 1 1 calc R U . . .
C22 C 0.91418(18) 0.3515(6) 0.05339(13) 0.0269(10) Uani 1 1 d . . . . .
C23 C 0.93579(17) 0.2716(5) 0.08445(13) 0.0240(10) Uani 1 1 d . . . . .
H23 H 0.922254 0.188018 0.088732 0.029 Uiso 1 1 calc R U . . .
C24 C 0.97749(18) 0.3169(5) 0.10893(13) 0.0252(10) Uani 1 1 d . . . . .
C25 C 0.85190(18) 0.3996(6) -0.00265(14) 0.0279(11) Uani 1 1 d . . . . .
C26 C 0.86474(19) 0.3907(6) -0.04001(14) 0.0304(11) Uani 1 1 d . . . . .
H26 H 0.887270 0.325569 -0.045793 0.036 Uiso 1 1 calc R U . . .
C27 C 0.8441(2) 0.4791(6) -0.06920(17) 0.0309(12) Uani 1 1 d . . . . .
H27 H 0.852013 0.471291 -0.094537 0.037 Uiso 1 1 calc R U . . .
C28 C 0.81153(18) 0.5791(6) -0.05990(14) 0.0287(11) Uani 1 1 d . . . . .
C29 C 0.79903(19) 0.5872(6) -0.02210(15) 0.0340(12) Uani 1 1 d . . . . .
H29 H 0.777089 0.653218 -0.015871 0.041 Uiso 1 1 calc R U . . .
C30 C 0.8189(2) 0.4985(6) 0.00591(16) 0.0316(13) Uani 1 1 d . . . . .
H30 H 0.810144 0.504542 0.031042 0.038 Uiso 1 1 calc R U . . .
C31 C 0.8047(2) 0.6732(7) -0.12404(16) 0.0476(15) Uani 1 1 d . . . . .
H31A H 0.839857 0.690132 -0.122330 0.071 Uiso 1 1 calc R U . . .
H31B H 0.786702 0.742153 -0.139374 0.071 Uiso 1 1 calc R U . . .
H31C H 0.797195 0.587698 -0.136192 0.071 Uiso 1 1 calc R U . . .
C32 C 0.84974(19) 0.1849(6) 0.03268(14) 0.0286(11) Uani 1 1 d . . . . .
C33 C 0.8093(2) 0.1815(6) 0.05288(15) 0.0319(12) Uani 1 1 d . . . . .
H33 H 0.798558 0.260626 0.063346 0.038 Uiso 1 1 calc R U . . .
C34 C 0.7838(2) 0.0620(7) 0.05817(17) 0.0393(13) Uani 1 1 d . . . . .
H34 H 0.755876 0.061202 0.071285 0.047 Uiso 1 1 calc R U . . .
C35 C 0.8015(2) -0.0549(6) 0.04327(17) 0.0383(13) Uani 1 1 d . . . . .
C36 C 0.8412(3) -0.0520(7) 0.0222(2) 0.0518(17) Uani 1 1 d . . . . .
H36 H 0.851995 -0.130907 0.011692 0.062 Uiso 1 1 calc R U . . .
C37 C 0.8655(2) 0.0684(7) 0.01649(18) 0.0423(14) Uani 1 1 d . . . . .
H37 H 0.892018 0.070144 0.001881 0.051 Uiso 1 1 calc R U . . .
C38 C 0.7387(3) -0.1855(9) 0.0679(3) 0.072(2) Uani 1 1 d . . . . .
H38A H 0.747689 -0.147811 0.093490 0.108 Uiso 1 1 calc R U . . .
H38B H 0.728915 -0.277356 0.070364 0.108 Uiso 1 1 calc R U . . .
H38C H 0.711431 -0.135741 0.054281 0.108 Uiso 1 1 calc R U . . .
C39 C 1.1211(2) 0.5136(5) 0.17923(19) 0.0315(13) Uani 1 1 d . . . . .
C40 C 1.1591(3) 0.5084(6) 0.2010(2) 0.0362(15) Uani 1 1 d . . . . .
C41 C 1.2036(3) 0.4876(6) 0.22744(19) 0.0350(15) Uani 1 1 d . . . . .
C42 C 1.2227(3) 0.3601(7) 0.23226(19) 0.0575(17) Uani 1 1 d . . . . .
H42 H 1.207456 0.290433 0.217256 0.069 Uiso 1 1 calc R U . . .
C43 C 1.2643(3) 0.3334(8) 0.2590(2) 0.0645(19) Uani 1 1 d . . . . .
H43 H 1.277004 0.246653 0.260942 0.077 Uiso 1 1 calc R U . . .
C44 C 1.2875(2) 0.4322(8) 0.28305(19) 0.0474(16) Uani 1 1 d . . . . .
C45 C 1.2695(3) 0.5614(8) 0.2763(2) 0.0608(18) Uani 1 1 d . . . . .
H45 H 1.285149 0.631555 0.290830 0.073 Uiso 1 1 calc R U . . .
C46 C 1.2284(2) 0.5900(7) 0.24819(19) 0.0535(16) Uani 1 1 d . . . . .
H46 H 1.218017 0.678201 0.243688 0.064 Uiso 1 1 calc R U . . .
C47 C 1.3298(3) 0.3970(11) 0.3141(2) 0.079(3) Uani 1 1 d . . . . .
H47A H 1.316901 0.353488 0.335473 0.119 Uiso 1 1 calc R U . . .
H47B H 1.347120 0.477306 0.323329 0.119 Uiso 1 1 calc R U . . .
H47C H 1.352511 0.337817 0.303368 0.119 Uiso 1 1 calc R U . . .
C48 C 1.06584(18) 0.6730(6) 0.12130(14) 0.0322(12) Uani 1 1 d . . . . .
C49 C 1.06581(19) 0.7797(6) 0.10628(14) 0.0311(11) Uani 1 1 d . . . . .
C50 C 1.0620(2) 0.9058(6) 0.08593(15) 0.0316(11) Uani 1 1 d . . . . .
C51 C 1.1032(3) 0.9902(7) 0.0859(2) 0.0471(18) Uani 1 1 d . . . . .
H51 H 1.133541 0.964512 0.099721 0.056 Uiso 1 1 calc R U . . .
C52 C 1.1003(3) 1.1093(7) 0.06625(19) 0.0523(17) Uani 1 1 d . . . . .
H52 H 1.128427 1.163446 0.067166 0.063 Uiso 1 1 calc R U . . .
C53 C 1.0562(3) 1.1501(6) 0.04512(18) 0.0452(15) Uani 1 1 d . . . . .
C54 C 1.0145(3) 1.0667(7) 0.04499(18) 0.0438(14) Uani 1 1 d . . . . .
H54 H 0.984104 1.093104 0.031284 0.053 Uiso 1 1 calc R U . . .
C55 C 1.0176(2) 0.9471(6) 0.06467(16) 0.0363(12) Uani 1 1 d . . . . .
H55 H 0.989432 0.892846 0.063732 0.044 Uiso 1 1 calc R U . . .
C56 C 1.0530(4) 1.2798(8) 0.0232(2) 0.069(2) Uani 1 1 d . . . . .
H56A H 1.053788 1.353034 0.041337 0.103 Uiso 1 1 calc R U . . .
H56B H 1.022344 1.282752 0.005624 0.103 Uiso 1 1 calc R U . . .
H56C H 1.080696 1.287028 0.008554 0.103 Uiso 1 1 calc R U . . .
C57 C 0.57861(19) 0.2181(6) 0.18760(14) 0.0304(11) Uani 1 1 d . . . . .
H57 H 0.609080 0.252864 0.198839 0.037 Uiso 1 1 calc R U . . .
C58 C 0.5637(2) 0.0981(6) 0.20087(15) 0.0322(11) Uani 1 1 d . . . . .
H58 H 0.583660 0.053825 0.220867 0.039 Uiso 1 1 calc R U . . .
C59 C 0.5180(2) 0.0408(6) 0.18435(16) 0.0291(11) Uani 1 1 d . . . . .
C60 C 0.49091(18) 0.1131(5) 0.15345(13) 0.0243(10) Uani 1 1 d . . . . .
H60 H 0.460905 0.078887 0.141108 0.029 Uiso 1 1 calc R U . . .
C61 C 0.50852(17) 0.2351(5) 0.14117(12) 0.0232(10) Uani 1 1 d . . . . .
C62 C 0.5287(2) -0.1292(6) 0.23445(15) 0.0338(12) Uani 1 1 d . . . . .
C63 C 0.5585(2) -0.2397(6) 0.23251(15) 0.0334(12) Uani 1 1 d . . . . .
H63 H 0.558418 -0.284647 0.208876 0.040 Uiso 1 1 calc R U . . .
C64 C 0.5888(2) -0.2849(6) 0.26541(16) 0.0378(13) Uani 1 1 d . . . . .
H64 H 0.608679 -0.360514 0.264028 0.045 Uiso 1 1 calc R U . . .
C65 C 0.5893(2) -0.2165(7) 0.30037(14) 0.0364(13) Uani 1 1 d . . . . .
C66 C 0.5589(2) -0.1070(6) 0.30269(16) 0.0405(14) Uani 1 1 d . . . . .
H66 H 0.558942 -0.062037 0.326309 0.049 Uiso 1 1 calc R U . . .
C67 C 0.5282(2) -0.0638(6) 0.26984(17) 0.0389(13) Uani 1 1 d . . . . .
H67 H 0.507266 0.009304 0.271480 0.047 Uiso 1 1 calc R U . . .
C68 C 0.6525(3) -0.3579(10) 0.3331(2) 0.070(2) Uani 1 1 d . . . . .
H68A H 0.634622 -0.437319 0.323852 0.106 Uiso 1 1 calc R U . . .
H68B H 0.669863 -0.373941 0.358770 0.106 Uiso 1 1 calc R U . . .
H68C H 0.676051 -0.335051 0.315648 0.106 Uiso 1 1 calc R U . . .
C69 C 0.4583(2) -0.1477(6) 0.18193(17) 0.0359(12) Uani 1 1 d . . . . .
C70 C 0.4239(2) -0.1950(7) 0.2059(2) 0.0553(18) Uani 1 1 d . . . . .
H70 H 0.427871 -0.174960 0.232495 0.066 Uiso 1 1 calc R U . . .
C71 C 0.3834(3) -0.2730(8) 0.1892(3) 0.072(2) Uani 1 1 d . . . . .
H71 H 0.361064 -0.306090 0.205135 0.086 Uiso 1 1 calc R U . . .
C72 C 0.3759(3) -0.3013(7) 0.1508(3) 0.064(2) Uani 1 1 d . . . . .
C73 C 0.4099(3) -0.2552(8) 0.1276(3) 0.066(2) Uani 1 1 d . . . . .
H73 H 0.405194 -0.273627 0.100990 0.080 Uiso 1 1 calc R U . . .
C74 C 0.4517(2) -0.1807(7) 0.14360(19) 0.0494(15) Uani 1 1 d . . . . .
H74 H 0.475072 -0.153671 0.127664 0.059 Uiso 1 1 calc R U . . .
C75 C 0.3072(4) -0.4451(12) 0.1509(4) 0.134(5) Uani 1 1 d . U . . .
H75A H 0.326503 -0.495926 0.171114 0.200 Uiso 1 1 calc R U . . .
H75B H 0.287110 -0.504869 0.133577 0.200 Uiso 1 1 calc R U . . .
H75C H 0.286028 -0.383562 0.162343 0.200 Uiso 1 1 calc R U . . .
C76 C 0.4827(2) 0.5182(5) 0.07584(17) 0.0319(13) Uani 1 1 d . . . . .
H76 H 0.497001 0.601540 0.072494 0.038 Uiso 1 1 calc R U . . .
C77 C 0.4415(2) 0.4821(6) 0.05088(18) 0.0333(13) Uani 1 1 d . . . . .
H77 H 0.428644 0.539985 0.030953 0.040 Uiso 1 1 calc R U . . .
C78 C 0.41871(18) 0.3584(5) 0.05519(13) 0.0264(10) Uani 1 1 d . . . . .
C79 C 0.44016(17) 0.2757(5) 0.08570(13) 0.0233(10) Uani 1 1 d . . . . .
H79 H 0.426029 0.192656 0.089705 0.028 Uiso 1 1 calc R U . . .
C80 C 0.48238(18) 0.3173(5) 0.10995(13) 0.0246(10) Uani 1 1 d . . . . .
C81 C 0.35520(18) 0.4122(6) 0.00039(14) 0.0273(11) Uani 1 1 d . . . . .
C82 C 0.3249(2) 0.5163(6) 0.00990(17) 0.0317(12) Uani 1 1 d . . . . .
H82 H 0.319224 0.527825 0.035695 0.038 Uiso 1 1 calc R U . . .
C83 C 0.30322(19) 0.6025(6) -0.01844(14) 0.0313(11) Uani 1 1 d . . . . .
H83 H 0.282801 0.671573 -0.011793 0.038 Uiso 1 1 calc R U . . .
C84 C 0.31178(18) 0.5866(6) -0.05709(14) 0.0281(11) Uani 1 1 d . . . . .
C85 C 0.3424(2) 0.4827(5) -0.06711(17) 0.0299(12) Uani 1 1 d . . . . .
H85 H 0.348085 0.471109 -0.092905 0.036 Uiso 1 1 calc R U . . .
C86 C 0.36440(18) 0.3966(6) -0.03795(14) 0.0299(11) Uani 1 1 d . . . . .
H86 H 0.385367 0.328356 -0.044265 0.036 Uiso 1 1 calc R U . . .
C87 C 0.2986(2) 0.6677(8) -0.12279(16) 0.0474(16) Uani 1 1 d . . . . .
H87A H 0.333678 0.678890 -0.123661 0.071 Uiso 1 1 calc R U . . .
H87B H 0.280501 0.736799 -0.137994 0.071 Uiso 1 1 calc R U . . .
H87C H 0.288184 0.581571 -0.133305 0.071 Uiso 1 1 calc R U . . .
C88 C 0.35269(19) 0.1958(5) 0.03449(14) 0.0283(11) Uani 1 1 d . . . . .
C89 C 0.3691(2) 0.0800(6) 0.01769(18) 0.0402(13) Uani 1 1 d . . . . .
H89 H 0.395966 0.082907 0.003375 0.048 Uiso 1 1 calc R U . . .
C90 C 0.3446(3) -0.0409(7) 0.0227(2) 0.0467(16) Uani 1 1 d . . . . .
H90 H 0.355328 -0.119258 0.011824 0.056 Uiso 1 1 calc R U . . .
C91 C 0.3048(2) -0.0446(6) 0.04365(17) 0.0356(12) Uani 1 1 d . . . . .
C92 C 0.2871(2) 0.0716(7) 0.05898(16) 0.0378(13) Uani 1 1 d . . . . .
H92 H 0.259017 0.069889 0.071942 0.045 Uiso 1 1 calc R U . . .
C93 C 0.3124(2) 0.1910(6) 0.05444(15) 0.0318(12) Uani 1 1 d . . . . .
H93 H 0.301586 0.269296 0.065289 0.038 Uiso 1 1 calc R U . . .
C94 C 0.2430(3) -0.1804(8) 0.0686(2) 0.063(2) Uani 1 1 d . . . . .
H94A H 0.253438 -0.152676 0.095051 0.094 Uiso 1 1 calc R U . . .
H94B H 0.231936 -0.271880 0.068388 0.094 Uiso 1 1 calc R U . . .
H94C H 0.216104 -0.124216 0.057218 0.094 Uiso 1 1 calc R U . . .
C95 C 0.6287(2) 0.5017(5) 0.18089(19) 0.0321(13) Uani 1 1 d . . . . .
C96 C 0.6657(3) 0.4920(6) 0.2023(2) 0.0372(15) Uani 1 1 d . . . . .
C97 C 0.7094(3) 0.4711(6) 0.23085(19) 0.0363(14) Uani 1 1 d . . . . .
C98 C 0.7586(3) 0.4900(6) 0.2220(2) 0.0516(16) Uani 1 1 d . . . . .
H98 H 0.764347 0.516765 0.197161 0.062 Uiso 1 1 calc R U . . .
C99 C 0.7984(3) 0.4673(7) 0.2516(2) 0.0572(17) Uani 1 1 d . . . . .
H99 H 0.830776 0.479369 0.245787 0.069 Uiso 1 1 calc R U . . .
C100 C 0.7922(2) 0.4289(8) 0.28819(18) 0.0475(16) Uani 1 1 d . . . . .
C101 C 0.7447(3) 0.4108(8) 0.29634(19) 0.0621(18) Uani 1 1 d . . . . .
H101 H 0.739334 0.384488 0.321312 0.074 Uiso 1 1 calc R U . . .
C102 C 0.7034(2) 0.4317(7) 0.26731(18) 0.0545(16) Uani 1 1 d . . . . .
H102 H 0.671286 0.417823 0.273507 0.065 Uiso 1 1 calc R U . . .
C103 C 0.8349(3) 0.3971(11) 0.3185(2) 0.074(2) Uani 1 1 d . . . . .
H10A H 0.856675 0.334425 0.308123 0.111 Uiso 1 1 calc R U . . .
H10B H 0.822629 0.358605 0.340908 0.111 Uiso 1 1 calc R U . . .
H10C H 0.852968 0.477845 0.326104 0.111 Uiso 1 1 calc R U . . .
C104 C 0.57341(18) 0.6658(6) 0.12374(14) 0.0297(11) Uani 1 1 d . . . . .
C105 C 0.57287(19) 0.7728(6) 0.10852(14) 0.0292(11) Uani 1 1 d . . . . .
C106 C 0.5689(2) 0.8991(6) 0.08798(14) 0.0307(11) Uani 1 1 d . . . . .
C107 C 0.6089(3) 0.9889(6) 0.0890(2) 0.0427(16) Uani 1 1 d . . . . .
H107 H 0.639327 0.966745 0.103471 0.051 Uiso 1 1 calc R U . . .
C108 C 0.6045(2) 1.1076(7) 0.06955(18) 0.0465(15) Uani 1 1 d . . . . .
H108 H 0.631569 1.165794 0.071452 0.056 Uiso 1 1 calc R U . . .
C109 C 0.5601(2) 1.1438(6) 0.04679(16) 0.0388(13) Uani 1 1 d . . . . .
C110 C 0.5199(2) 1.0562(7) 0.04573(16) 0.0384(13) Uani 1 1 d . . . . .
H110 H 0.489508 1.079449 0.031547 0.046 Uiso 1 1 calc R U . . .
C111 C 0.5244(2) 0.9362(6) 0.06518(16) 0.0362(12) Uani 1 1 d . . . . .
H111 H 0.497192 0.878216 0.063206 0.043 Uiso 1 1 calc R U . . .
C112 C 0.5560(3) 1.2730(7) 0.0247(2) 0.0570(18) Uani 1 1 d . . . . .
H11A H 0.582514 1.278957 0.008805 0.086 Uiso 1 1 calc R U . . .
H11B H 0.558282 1.346563 0.042761 0.086 Uiso 1 1 calc R U . . .
H11C H 0.524435 1.276385 0.008272 0.086 Uiso 1 1 calc R U . . .
N1 N 1.04729(15) 0.2959(5) 0.15846(11) 0.0257(9) Uani 1 1 d . . . . .
N2 N 0.99876(17) -0.0632(5) 0.20243(13) 0.0310(10) Uani 1 1 d . . . . .
N3 N 0.99772(15) 0.4394(4) 0.10383(11) 0.0247(9) Uani 1 1 d . . . . .
N4 N 0.87429(16) 0.3089(5) 0.02757(12) 0.0325(10) Uani 1 1 d . . . . .
N5 N 0.55191(15) 0.2886(5) 0.15935(11) 0.0269(9) Uani 1 1 d . . . . .
N6 N 0.50078(17) -0.0746(5) 0.19933(13) 0.0318(10) Uani 1 1 d . . . . .
N7 N 0.50412(16) 0.4381(5) 0.10548(12) 0.0270(9) Uani 1 1 d . . . . .
N8 N 0.37769(16) 0.3208(5) 0.03008(13) 0.0334(10) Uani 1 1 d . . . . .
O1 O 1.12217(16) -0.2349(5) 0.33534(11) 0.0476(11) Uani 1 1 d . . . . .
O2 O 0.82740(18) -0.3592(6) 0.15000(14) 0.0607(13) Uani 1 1 d . . . . .
O3 O 0.79021(14) 0.6726(5) -0.08573(10) 0.0384(9) Uani 1 1 d . . . . .
O4 O 0.78102(19) -0.1791(5) 0.04640(15) 0.0574(12) Uani 1 1 d . . . . .
O5 O 0.61827(18) -0.2505(5) 0.33465(11) 0.0503(11) Uani 1 1 d . . . . .
O6 O 0.3372(2) -0.3784(7) 0.1312(3) 0.111(3) Uani 1 1 d . . . . .
O7 O 0.28862(14) 0.6764(5) -0.08315(10) 0.0382(9) Uani 1 1 d . . . . .
O8 O 0.28395(18) -0.1691(5) 0.04648(14) 0.0529(12) Uani 1 1 d . . . . .
Pt1 Pt 1.06040(2) 0.48875(2) 0.14126(2) 0.02316(10) Uani 1 1 d . . . . .
Pt2 Pt 0.56715(2) 0.48155(2) 0.14273(2) 0.02283(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
C1 N1 1.322(7) . ?
C1 C2 1.351(8) . ?
C1 H1 0.9300 . ?
C2 C3 1.419(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(7) . ?
C4 C5 1.394(7) . ?
C4 H4 0.9300 . ?
C5 N1 1.374(6) . ?
C5 C24 1.461(7) . ?
C6 C7 1.376(8) . ?
C6 C11 1.379(8) . ?
C6 N2 1.446(6) . ?
C7 C8 1.390(7) . ?
C7 H7 0.9300 . ?
C8 C9 1.388(7) . ?
C8 H8 0.9300 . ?
C9 O1 1.372(6) . ?
C9 C10 1.373(9) . ?
C10 C11 1.389(8) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 O1 1.423(9) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.355(8) . ?
C13 C18 1.405(8) . ?
C13 N2 1.437(7) . ?
C14 C15 1.410(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.373(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.369(9) . ?
C16 O2 1.385(7) . ?
C17 C18 1.381(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 O2 1.371(8) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 N3 1.357(7) . ?
C20 C21 1.364(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.403(8) . ?
C21 H21 0.9300 . ?
C22 N4 1.373(6) . ?
C22 C23 1.400(7) . ?
C23 C24 1.392(7) . ?
C23 H23 0.9300 . ?
C24 N3 1.360(7) . ?
C25 C26 1.381(7) . ?
C25 C30 1.388(8) . ?
C25 N4 1.451(7) . ?
C26 C27 1.398(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.396(8) . ?
C27 H27 0.9300 . ?
C28 O3 1.364(6) . ?
C28 C29 1.392(7) . ?
C29 C30 1.367(8) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 O3 1.427(6) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 C33 1.371(7) . ?
C32 C37 1.380(8) . ?
C32 N4 1.426(7) . ?
C33 C34 1.401(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.384(10) . ?
C34 H34 0.9300 . ?
C35 O4 1.366(8) . ?
C35 C36 1.373(10) . ?
C36 C37 1.394(10) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 O4 1.444(9) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C40 1.192(10) . ?
C39 Pt1 1.977(7) . ?
C40 C41 1.425(10) . ?
C41 C46 1.371(9) . ?
C41 C42 1.375(9) . ?
C42 C43 1.383(9) . ?
C42 H42 0.9300 . ?
C43 C44 1.384(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.386(11) . ?
C44 C47 1.503(9) . ?
C45 C46 1.404(9) . ?
C45 H45 0.9300 . ?
C46 H46 0.9300 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 C49 1.184(8) . ?
C48 Pt1 1.974(6) . ?
C49 C50 1.437(8) . ?
C50 C55 1.385(8) . ?
C50 C51 1.396(9) . ?
C51 C52 1.365(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.375(10) . ?
C52 H52 0.9300 . ?
C53 C54 1.399(9) . ?
C53 C56 1.496(9) . ?
C54 C55 1.370(9) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 N5 1.334(7) . ?
C57 C58 1.361(8) . ?
C57 H57 0.9300 . ?
C58 C59 1.413(8) . ?
C58 H58 0.9300 . ?
C59 N6 1.368(7) . ?
C59 C60 1.410(7) . ?
C60 C61 1.393(7) . ?
C60 H60 0.9300 . ?
C61 N5 1.364(6) . ?
C61 C80 1.460(7) . ?
C62 C63 1.373(8) . ?
C62 C67 1.386(8) . ?
C62 N6 1.447(7) . ?
C63 C64 1.385(8) . ?
C63 H63 0.9300 . ?
C64 C65 1.385(8) . ?
C64 H64 0.9300 . ?
C65 O5 1.373(7) . ?
C65 C66 1.376(9) . ?
C66 C67 1.382(9) . ?
C66 H66 0.9300 . ?
C67 H67 0.9300 . ?
C68 O5 1.420(9) . ?
C68 H68A 0.9600 . ?
C68 H68B 0.9600 . ?
C68 H68C 0.9600 . ?
C69 C74 1.352(9) . ?
C69 C70 1.405(8) . ?
C69 N6 1.425(7) . ?
C70 C71 1.404(10) . ?
C70 H70 0.9300 . ?
C71 C72 1.343(11) . ?
C71 H71 0.9300 . ?
C72 C73 1.374(11) . ?
C72 O6 1.401(9) . ?
C73 C74 1.402(9) . ?
C73 H73 0.9300 . ?
C74 H74 0.9300 . ?
C75 O6 1.304(13) . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 C77 1.364(9) . ?
C76 N7 1.365(7) . ?
C76 H76 0.9300 . ?
C77 C78 1.396(8) . ?
C77 H77 0.9300 . ?
C78 N8 1.367(6) . ?
C78 C79 1.402(7) . ?
C79 C80 1.387(7) . ?
C79 H79 0.9300 . ?
C80 N7 1.358(7) . ?
C81 C86 1.386(7) . ?
C81 C82 1.388(8) . ?
C81 N8 1.444(7) . ?
C82 C83 1.374(8) . ?
C82 H82 0.9300 . ?
C83 C84 1.392(7) . ?
C83 H83 0.9300 . ?
C84 O7 1.362(6) . ?
C84 C85 1.398(8) . ?
C85 C86 1.395(8) . ?
C85 H85 0.9300 . ?
C86 H86 0.9300 . ?
C87 O7 1.431(6) . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C87 H87C 0.9600 . ?
C88 C93 1.363(7) . ?
C88 C89 1.391(8) . ?
C88 N8 1.436(7) . ?
C89 C90 1.397(10) . ?
C89 H89 0.9300 . ?
C90 C91 1.372(9) . ?
C90 H90 0.9300 . ?
C91 O8 1.372(7) . ?
C91 C92 1.385(9) . ?
C92 C93 1.393(9) . ?
C92 H92 0.9300 . ?
C93 H93 0.9300 . ?
C94 O8 1.429(8) . ?
C94 H94A 0.9600 . ?
C94 H94B 0.9600 . ?
C94 H94C 0.9600 . ?
C95 C96 1.169(10) . ?
C95 Pt2 1.991(7) . ?
C96 C97 1.450(10) . ?
C97 C102 1.348(9) . ?
C97 C98 1.415(10) . ?
C98 C99 1.403(9) . ?
C98 H98 0.9300 . ?
C99 C100 1.350(10) . ?
C99 H99 0.9300 . ?
C100 C101 1.362(10) . ?
C100 C103 1.487(9) . ?
C101 C102 1.414(9) . ?
C101 H101 0.9300 . ?
C102 H102 0.9300 . ?
C103 H10A 0.9600 . ?
C103 H10B 0.9600 . ?
C103 H10C 0.9600 . ?
C104 C105 1.188(8) . ?
C104 Pt2 1.966(6) . ?
C105 C106 1.442(7) . ?
C106 C111 1.400(8) . ?
C106 C107 1.400(8) . ?
C107 C108 1.360(9) . ?
C107 H107 0.9300 . ?
C108 C109 1.391(9) . ?
C108 H108 0.9300 . ?
C109 C110 1.391(9) . ?
C109 C112 1.494(8) . ?
C110 C111 1.369(9) . ?
C110 H110 0.9300 . ?
C111 H111 0.9300 . ?
C112 H11A 0.9600 . ?
C112 H11B 0.9600 . ?
C112 H11C 0.9600 . ?
N1 Pt1 2.057(4) . ?
N3 Pt1 2.051(4) . ?
N5 Pt2 2.065(5) . ?
N7 Pt2 2.042(4) . ?

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 C1 C2 124.4(5) . . ?
N1 C1 H1 117.8 . . ?
C2 C1 H1 117.8 . . ?
C1 C2 C3 120.2(5) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 115.8(5) . . ?
C5 C4 C3 120.7(5) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
N1 C5 C4 120.7(4) . . ?
N1 C5 C24 114.4(4) . . ?
C4 C5 C24 124.9(4) . . ?
C7 C6 C11 119.9(5) . . ?
C7 C6 N2 119.6(5) . . ?
C11 C6 N2 120.4(5) . . ?
C6 C7 C8 120.4(5) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C9 C8 C7 119.4(5) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
O1 C9 C10 114.9(5) . . ?
O1 C9 C8 124.9(6) . . ?
C10 C9 C8 120.2(5) . . ?
C9 C10 C11 120.1(5) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C6 C11 C10 120.0(6) . . ?
C6 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
O1 C12 H12A 109.5 . . ?
O1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
O1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 119.8(5) . . ?
C14 C13 N2 120.7(5) . . ?
C18 C13 N2 119.5(5) . . ?
C13 C14 C15 120.1(5) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 119.9(5) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C17 C16 C15 120.1(6) . . ?
C17 C16 O2 115.8(5) . . ?
C15 C16 O2 124.1(6) . . ?
C16 C17 C18 120.6(6) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 119.6(5) . . ?
C17 C18 H18 120.2 . . ?
C13 C18 H18 120.2 . . ?
O2 C19 H19A 109.5 . . ?
O2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
O2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N3 C20 C21 123.6(5) . . ?
N3 C20 H20 118.2 . . ?
C21 C20 H20 118.2 . . ?
C20 C21 C22 119.3(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
N4 C22 C23 122.3(5) . . ?
N4 C22 C21 120.2(5) . . ?
C23 C22 C21 117.5(5) . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
N3 C24 C23 121.4(4) . . ?
N3 C24 C5 114.5(4) . . ?
C23 C24 C5 124.1(5) . . ?
C26 C25 C30 119.4(5) . . ?
C26 C25 N4 119.9(5) . . ?
C30 C25 N4 120.6(5) . . ?
C25 C26 C27 120.5(5) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
O3 C28 C29 116.0(5) . . ?
O3 C28 C27 124.3(5) . . ?
C29 C28 C27 119.6(5) . . ?
C30 C29 C28 120.3(5) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 120.9(5) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
O3 C31 H31A 109.5 . . ?
O3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C37 119.6(5) . . ?
C33 C32 N4 119.9(5) . . ?
C37 C32 N4 120.5(5) . . ?
C32 C33 C34 121.7(6) . . ?
C32 C33 H33 119.2 . . ?
C34 C33 H33 119.2 . . ?
C35 C34 C33 118.0(6) . . ?
C35 C34 H34 121.0 . . ?
C33 C34 H34 121.0 . . ?
O4 C35 C36 114.4(6) . . ?
O4 C35 C34 124.9(6) . . ?
C36 C35 C34 120.6(6) . . ?
C35 C36 C37 120.6(6) . . ?
C35 C36 H36 119.7 . . ?
C37 C36 H36 119.7 . . ?
C32 C37 C36 119.5(6) . . ?
C32 C37 H37 120.3 . . ?
C36 C37 H37 120.3 . . ?
O4 C38 H38A 109.5 . . ?
O4 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
O4 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 Pt1 169.9(5) . . ?
C39 C40 C41 174.0(6) . . ?
C46 C41 C42 118.4(6) . . ?
C46 C41 C40 122.7(6) . . ?
C42 C41 C40 118.9(6) . . ?
C41 C42 C43 121.2(7) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 H42 119.4 . . ?
C42 C43 C44 121.8(7) . . ?
C42 C43 H43 119.1 . . ?
C44 C43 H43 119.1 . . ?
C43 C44 C45 116.1(6) . . ?
C43 C44 C47 120.2(8) . . ?
C45 C44 C47 123.7(8) . . ?
C44 C45 C46 122.2(7) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 H45 118.9 . . ?
C41 C46 C45 119.8(6) . . ?
C41 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C49 C48 Pt1 173.5(5) . . ?
C48 C49 C50 175.1(6) . . ?
C55 C50 C51 117.1(6) . . ?
C55 C50 C49 121.4(5) . . ?
C51 C50 C49 121.5(6) . . ?
C52 C51 C50 122.1(7) . . ?
C52 C51 H51 118.9 . . ?
C50 C51 H51 118.9 . . ?
C51 C52 C53 120.6(7) . . ?
C51 C52 H52 119.7 . . ?
C53 C52 H52 119.7 . . ?
C52 C53 C54 117.9(6) . . ?
C52 C53 C56 120.8(7) . . ?
C54 C53 C56 121.3(7) . . ?
C55 C54 C53 121.3(6) . . ?
C55 C54 H54 119.4 . . ?
C53 C54 H54 119.4 . . ?
C54 C55 C50 120.9(6) . . ?
C54 C55 H55 119.6 . . ?
C50 C55 H55 119.6 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N5 C57 C58 123.6(5) . . ?
N5 C57 H57 118.2 . . ?
C58 C57 H57 118.2 . . ?
C57 C58 C59 120.2(5) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
N6 C59 C60 123.2(5) . . ?
N6 C59 C58 120.7(5) . . ?
C60 C59 C58 115.9(5) . . ?
C61 C60 C59 120.9(5) . . ?
C61 C60 H60 119.6 . . ?
C59 C60 H60 119.6 . . ?
N5 C61 C60 120.6(4) . . ?
N5 C61 C80 115.1(4) . . ?
C60 C61 C80 124.3(4) . . ?
C63 C62 C67 119.6(5) . . ?
C63 C62 N6 120.4(5) . . ?
C67 C62 N6 119.8(5) . . ?
C62 C63 C64 120.6(5) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C65 C64 C63 119.3(6) . . ?
C65 C64 H64 120.3 . . ?
C63 C64 H64 120.3 . . ?
O5 C65 C66 115.1(5) . . ?
O5 C65 C64 124.6(6) . . ?
C66 C65 C64 120.3(5) . . ?
C65 C66 C67 119.9(5) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
C66 C67 C62 120.2(6) . . ?
C66 C67 H67 119.9 . . ?
C62 C67 H67 119.9 . . ?
O5 C68 H68A 109.5 . . ?
O5 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
O5 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C74 C69 C70 118.9(6) . . ?
C74 C69 N6 122.1(5) . . ?
C70 C69 N6 118.8(6) . . ?
C71 C70 C69 118.9(7) . . ?
C71 C70 H70 120.6 . . ?
C69 C70 H70 120.6 . . ?
C72 C71 C70 122.1(7) . . ?
C72 C71 H71 118.9 . . ?
C70 C71 H71 118.9 . . ?
C71 C72 C73 118.5(7) . . ?
C71 C72 O6 126.7(8) . . ?
C73 C72 O6 114.7(8) . . ?
C72 C73 C74 121.0(8) . . ?
C72 C73 H73 119.5 . . ?
C74 C73 H73 119.5 . . ?
C69 C74 C73 120.6(6) . . ?
C69 C74 H74 119.7 . . ?
C73 C74 H74 119.7 . . ?
O6 C75 H75A 109.5 . . ?
O6 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
O6 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C77 C76 N7 123.3(5) . . ?
C77 C76 H76 118.3 . . ?
N7 C76 H76 118.3 . . ?
C76 C77 C78 120.1(5) . . ?
C76 C77 H77 119.9 . . ?
C78 C77 H77 119.9 . . ?
N8 C78 C77 120.5(5) . . ?
N8 C78 C79 122.4(5) . . ?
C77 C78 C79 117.1(5) . . ?
C80 C79 C78 120.2(5) . . ?
C80 C79 H79 119.9 . . ?
C78 C79 H79 119.9 . . ?
N7 C80 C79 122.1(4) . . ?
N7 C80 C61 114.0(4) . . ?
C79 C80 C61 123.9(5) . . ?
C86 C81 C82 119.6(5) . . ?
C86 C81 N8 119.7(5) . . ?
C82 C81 N8 120.7(5) . . ?
C83 C82 C81 120.6(5) . . ?
C83 C82 H82 119.7 . . ?
C81 C82 H82 119.7 . . ?
C82 C83 C84 120.1(5) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
O7 C84 C83 116.0(5) . . ?
O7 C84 C85 124.1(5) . . ?
C83 C84 C85 120.0(5) . . ?
C86 C85 C84 119.2(5) . . ?
C86 C85 H85 120.4 . . ?
C84 C85 H85 120.4 . . ?
C81 C86 C85 120.5(5) . . ?
C81 C86 H86 119.8 . . ?
C85 C86 H86 119.8 . . ?
O7 C87 H87A 109.5 . . ?
O7 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
O7 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C93 C88 C89 120.1(5) . . ?
C93 C88 N8 120.1(5) . . ?
C89 C88 N8 119.8(5) . . ?
C88 C89 C90 118.8(6) . . ?
C88 C89 H89 120.6 . . ?
C90 C89 H89 120.6 . . ?
C91 C90 C89 120.4(6) . . ?
C91 C90 H90 119.8 . . ?
C89 C90 H90 119.8 . . ?
C90 C91 O8 114.8(6) . . ?
C90 C91 C92 120.8(6) . . ?
O8 C91 C92 124.3(6) . . ?
C91 C92 C93 118.2(5) . . ?
C91 C92 H92 120.9 . . ?
C93 C92 H92 120.9 . . ?
C88 C93 C92 121.6(5) . . ?
C88 C93 H93 119.2 . . ?
C92 C93 H93 119.2 . . ?
O8 C94 H94A 109.5 . . ?
O8 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
O8 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C96 C95 Pt2 169.3(5) . . ?
C95 C96 C97 174.9(7) . . ?
C102 C97 C98 118.2(6) . . ?
C102 C97 C96 119.2(6) . . ?
C98 C97 C96 122.6(6) . . ?
C99 C98 C97 118.3(7) . . ?
C99 C98 H98 120.8 . . ?
C97 C98 H98 120.8 . . ?
C100 C99 C98 123.3(7) . . ?
C100 C99 H99 118.4 . . ?
C98 C99 H99 118.4 . . ?
C99 C100 C101 117.9(6) . . ?
C99 C100 C103 122.5(7) . . ?
C101 C100 C103 119.5(7) . . ?
C100 C101 C102 120.8(6) . . ?
C100 C101 H101 119.6 . . ?
C102 C101 H101 119.6 . . ?
C97 C102 C101 121.5(6) . . ?
C97 C102 H102 119.2 . . ?
C101 C102 H102 119.2 . . ?
C100 C103 H10A 109.5 . . ?
C100 C103 H10B 109.5 . . ?
H10A C103 H10B 109.5 . . ?
C100 C103 H10C 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C105 C104 Pt2 171.9(5) . . ?
C104 C105 C106 175.6(6) . . ?
C111 C106 C107 116.7(6) . . ?
C111 C106 C105 120.6(5) . . ?
C107 C106 C105 122.6(5) . . ?
C108 C107 C106 121.8(7) . . ?
C108 C107 H107 119.1 . . ?
C106 C107 H107 119.1 . . ?
C107 C108 C109 121.3(6) . . ?
C107 C108 H108 119.4 . . ?
C109 C108 H108 119.4 . . ?
C110 C109 C108 117.6(6) . . ?
C110 C109 C112 121.5(6) . . ?
C108 C109 C112 120.9(6) . . ?
C111 C110 C109 121.3(6) . . ?
C111 C110 H110 119.4 . . ?
C109 C110 H110 119.4 . . ?
C110 C111 C106 121.3(5) . . ?
C110 C111 H111 119.3 . . ?
C106 C111 H111 119.3 . . ?
C109 C112 H11A 109.5 . . ?
C109 C112 H11B 109.5 . . ?
H11A C112 H11B 109.5 . . ?
C109 C112 H11C 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C1 N1 C5 118.1(5) . . ?
C1 N1 Pt1 125.8(4) . . ?
C5 N1 Pt1 115.7(3) . . ?
C13 N2 C6 117.8(4) . . ?
C20 N3 C24 117.9(4) . . ?
C20 N3 Pt1 125.5(4) . . ?
C24 N3 Pt1 116.6(3) . . ?
C22 N4 C32 121.8(4) . . ?
C22 N4 C25 119.4(4) . . ?
C32 N4 C25 118.2(4) . . ?
C57 N5 C61 118.7(5) . . ?
C57 N5 Pt2 125.8(4) . . ?
C61 N5 Pt2 115.3(3) . . ?
C59 N6 C69 124.5(4) . . ?
C59 N6 C62 117.9(4) . . ?
C69 N6 C62 117.6(4) . . ?
C80 N7 C76 117.2(4) . . ?
C80 N7 Pt2 117.0(3) . . ?
C76 N7 Pt2 125.7(4) . . ?
C78 N8 C88 121.7(4) . . ?
C78 N8 C81 120.5(4) . . ?
C88 N8 C81 117.6(4) . . ?
C9 O1 C12 116.7(5) . . ?
C19 O2 C16 117.5(5) . . ?
C28 O3 C31 117.7(4) . . ?
C35 O4 C38 115.9(6) . . ?
C65 O5 C68 117.1(5) . . ?
C75 O6 C72 120.3(10) . . ?
C84 O7 C87 117.6(4) . . ?
C91 O8 C94 117.6(5) . . ?
C48 Pt1 C39 91.2(2) . . ?
C48 Pt1 N3 95.55(19) . . ?
C39 Pt1 N3 173.16(18) . . ?
C48 Pt1 N1 173.82(18) . . ?
C39 Pt1 N1 94.89(19) . . ?
N3 Pt1 N1 78.36(16) . . ?
C104 Pt2 C95 91.5(2) . . ?
C104 Pt2 N7 95.15(19) . . ?
C95 Pt2 N7 173.35(18) . . ?
C104 Pt2 N5 173.14(18) . . ?
C95 Pt2 N5 95.16(19) . . ?
N7 Pt2 N5 78.26(17) . . ?

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
N1 C1 C2 C3 0.6(9) . . . . ?
C1 C2 C3 C4 2.4(8) . . . . ?
C2 C3 C4 C5 -2.8(7) . . . . ?
C3 C4 C5 N1 0.3(7) . . . . ?
C3 C4 C5 C24 -177.6(5) . . . . ?
C11 C6 C7 C8 -1.8(8) . . . . ?
N2 C6 C7 C8 173.7(5) . . . . ?
C6 C7 C8 C9 -0.1(8) . . . . ?
C7 C8 C9 O1 -179.2(5) . . . . ?
C7 C8 C9 C10 0.9(8) . . . . ?
O1 C9 C10 C11 -179.8(5) . . . . ?
C8 C9 C10 C11 0.2(9) . . . . ?
C7 C6 C11 C10 2.8(9) . . . . ?
N2 C6 C11 C10 -172.7(5) . . . . ?
C9 C10 C11 C6 -2.0(9) . . . . ?
C18 C13 C14 C15 0.6(9) . . . . ?
N2 C13 C14 C15 176.7(5) . . . . ?
C13 C14 C15 C16 -1.2(9) . . . . ?
C14 C15 C16 C17 1.9(10) . . . . ?
C14 C15 C16 O2 -178.7(6) . . . . ?
C15 C16 C17 C18 -2.0(10) . . . . ?
O2 C16 C17 C18 178.6(6) . . . . ?
C16 C17 C18 C13 1.4(10) . . . . ?
C14 C13 C18 C17 -0.7(9) . . . . ?
N2 C13 C18 C17 -176.8(6) . . . . ?
N3 C20 C21 C22 -0.3(10) . . . . ?
C20 C21 C22 N4 -177.8(6) . . . . ?
C20 C21 C22 C23 0.9(8) . . . . ?
N4 C22 C23 C24 177.4(5) . . . . ?
C21 C22 C23 C24 -1.3(7) . . . . ?
C22 C23 C24 N3 1.0(7) . . . . ?
C22 C23 C24 C5 -176.9(4) . . . . ?
N1 C5 C24 N3 -5.0(6) . . . . ?
C4 C5 C24 N3 173.0(4) . . . . ?
N1 C5 C24 C23 173.1(4) . . . . ?
C4 C5 C24 C23 -8.9(7) . . . . ?
C30 C25 C26 C27 -1.1(8) . . . . ?
N4 C25 C26 C27 -178.8(5) . . . . ?
C25 C26 C27 C28 2.0(8) . . . . ?
C26 C27 C28 O3 178.4(5) . . . . ?
C26 C27 C28 C29 -1.7(8) . . . . ?
O3 C28 C29 C30 -179.5(5) . . . . ?
C27 C28 C29 C30 0.6(8) . . . . ?
C28 C29 C30 C25 0.3(9) . . . . ?
C26 C25 C30 C29 -0.1(9) . . . . ?
N4 C25 C30 C29 177.7(5) . . . . ?
C37 C32 C33 C34 1.1(8) . . . . ?
N4 C32 C33 C34 179.3(5) . . . . ?
C32 C33 C34 C35 1.8(8) . . . . ?
C33 C34 C35 O4 179.3(5) . . . . ?
C33 C34 C35 C36 -3.3(9) . . . . ?
O4 C35 C36 C37 179.6(6) . . . . ?
C34 C35 C36 C37 2.0(10) . . . . ?
C33 C32 C37 C36 -2.5(9) . . . . ?
N4 C32 C37 C36 179.4(6) . . . . ?
C35 C36 C37 C32 1.0(11) . . . . ?
C46 C41 C42 C43 3.8(11) . . . . ?
C40 C41 C42 C43 -176.6(7) . . . . ?
C41 C42 C43 C44 2.2(12) . . . . ?
C42 C43 C44 C45 -5.6(11) . . . . ?
C42 C43 C44 C47 174.8(7) . . . . ?
C43 C44 C45 C46 3.4(11) . . . . ?
C47 C44 C45 C46 -177.0(7) . . . . ?
C42 C41 C46 C45 -5.9(11) . . . . ?
C40 C41 C46 C45 174.5(7) . . . . ?
C44 C45 C46 C41 2.4(11) . . . . ?
C55 C50 C51 C52 0.7(10) . . . . ?
C49 C50 C51 C52 179.0(6) . . . . ?
C50 C51 C52 C53 -0.8(12) . . . . ?
C51 C52 C53 C54 1.0(10) . . . . ?
C51 C52 C53 C56 -179.4(7) . . . . ?
C52 C53 C54 C55 -1.2(9) . . . . ?
C56 C53 C54 C55 179.2(6) . . . . ?
C53 C54 C55 C50 1.1(10) . . . . ?
C51 C50 C55 C54 -0.8(9) . . . . ?
C49 C50 C55 C54 -179.2(5) . . . . ?
N5 C57 C58 C59 0.7(8) . . . . ?
C57 C58 C59 N6 -175.1(5) . . . . ?
C57 C58 C59 C60 1.8(8) . . . . ?
N6 C59 C60 C61 175.4(5) . . . . ?
C58 C59 C60 C61 -1.5(7) . . . . ?
C59 C60 C61 N5 -1.3(7) . . . . ?
C59 C60 C61 C80 -178.8(5) . . . . ?
C67 C62 C63 C64 -1.1(8) . . . . ?
N6 C62 C63 C64 174.0(5) . . . . ?
C62 C63 C64 C65 -0.8(9) . . . . ?
C63 C64 C65 O5 -178.9(5) . . . . ?
C63 C64 C65 C66 1.8(9) . . . . ?
O5 C65 C66 C67 179.8(5) . . . . ?
C64 C65 C66 C67 -0.9(9) . . . . ?
C65 C66 C67 C62 -1.1(9) . . . . ?
C63 C62 C67 C66 2.1(9) . . . . ?
N6 C62 C67 C66 -173.1(5) . . . . ?
C74 C69 C70 C71 -1.0(10) . . . . ?
N6 C69 C70 C71 -176.7(6) . . . . ?
C69 C70 C71 C72 -1.5(12) . . . . ?
C70 C71 C72 C73 1.8(13) . . . . ?
C70 C71 C72 O6 179.6(8) . . . . ?
C71 C72 C73 C74 0.3(12) . . . . ?
O6 C72 C73 C74 -177.7(7) . . . . ?
C70 C69 C74 C73 3.1(10) . . . . ?
N6 C69 C74 C73 178.6(6) . . . . ?
C72 C73 C74 C69 -2.8(12) . . . . ?
N7 C76 C77 C78 0.7(10) . . . . ?
C76 C77 C78 N8 -179.3(6) . . . . ?
C76 C77 C78 C79 -0.3(9) . . . . ?
N8 C78 C79 C80 178.7(5) . . . . ?
C77 C78 C79 C80 -0.3(7) . . . . ?
C78 C79 C80 N7 0.5(7) . . . . ?
C78 C79 C80 C61 -176.9(4) . . . . ?
N5 C61 C80 N7 -3.6(6) . . . . ?
C60 C61 C80 N7 174.0(4) . . . . ?
N5 C61 C80 C79 174.1(4) . . . . ?
C60 C61 C80 C79 -8.3(7) . . . . ?
C86 C81 C82 C83 1.2(8) . . . . ?
N8 C81 C82 C83 -179.5(5) . . . . ?
C81 C82 C83 C84 -0.4(8) . . . . ?
C82 C83 C84 O7 179.8(5) . . . . ?
C82 C83 C84 C85 0.1(8) . . . . ?
O7 C84 C85 C86 179.8(5) . . . . ?
C83 C84 C85 C86 -0.5(8) . . . . ?
C82 C81 C86 C85 -1.6(8) . . . . ?
N8 C81 C86 C85 179.1(5) . . . . ?
C84 C85 C86 C81 1.3(8) . . . . ?
C93 C88 C89 C90 -1.9(9) . . . . ?
N8 C88 C89 C90 179.3(6) . . . . ?
C88 C89 C90 C91 0.4(10) . . . . ?
C89 C90 C91 O8 180.0(6) . . . . ?
C89 C90 C91 C92 2.3(10) . . . . ?
C90 C91 C92 C93 -3.5(9) . . . . ?
O8 C91 C92 C93 179.1(5) . . . . ?
C89 C88 C93 C92 0.7(8) . . . . ?
N8 C88 C93 C92 179.5(5) . . . . ?
C91 C92 C93 C88 2.0(8) . . . . ?
C102 C97 C98 C99 -0.3(10) . . . . ?
C96 C97 C98 C99 179.9(6) . . . . ?
C97 C98 C99 C100 -0.3(11) . . . . ?
C98 C99 C100 C101 0.4(11) . . . . ?
C98 C99 C100 C103 176.1(8) . . . . ?
C99 C100 C101 C102 0.1(12) . . . . ?
C103 C100 C101 C102 -175.8(8) . . . . ?
C98 C97 C102 C101 0.7(11) . . . . ?
C96 C97 C102 C101 -179.5(7) . . . . ?
C100 C101 C102 C97 -0.6(12) . . . . ?
C111 C106 C107 C108 1.3(10) . . . . ?
C105 C106 C107 C108 -179.9(6) . . . . ?
C106 C107 C108 C109 -1.6(11) . . . . ?
C107 C108 C109 C110 2.1(10) . . . . ?
C107 C108 C109 C112 -178.5(7) . . . . ?
C108 C109 C110 C111 -2.4(9) . . . . ?
C112 C109 C110 C111 178.2(6) . . . . ?
C109 C110 C111 C106 2.2(9) . . . . ?
C107 C106 C111 C110 -1.6(9) . . . . ?
C105 C106 C111 C110 179.5(5) . . . . ?
C2 C1 N1 C5 -3.2(8) . . . . ?
C2 C1 N1 Pt1 169.2(4) . . . . ?
C4 C5 N1 C1 2.7(7) . . . . ?
C24 C5 N1 C1 -179.1(4) . . . . ?
C4 C5 N1 Pt1 -170.5(3) . . . . ?
C24 C5 N1 Pt1 7.7(5) . . . . ?
C14 C13 N2 C6 -114.7(6) . . . . ?
C18 C13 N2 C6 61.4(7) . . . . ?
C7 C6 N2 C13 76.6(6) . . . . ?
C11 C6 N2 C13 -107.9(6) . . . . ?
C21 C20 N3 C24 -0.1(9) . . . . ?
C21 C20 N3 Pt1 177.5(5) . . . . ?
C23 C24 N3 C20 -0.3(7) . . . . ?
C5 C24 N3 C20 177.8(5) . . . . ?
C23 C24 N3 Pt1 -178.1(4) . . . . ?
C5 C24 N3 Pt1 0.0(5) . . . . ?
C23 C22 N4 C32 5.3(8) . . . . ?
C21 C22 N4 C32 -176.1(5) . . . . ?
C23 C22 N4 C25 176.6(4) . . . . ?
C21 C22 N4 C25 -4.8(7) . . . . ?
C33 C32 N4 C22 92.0(6) . . . . ?
C37 C32 N4 C22 -89.9(7) . . . . ?
C33 C32 N4 C25 -79.4(6) . . . . ?
C37 C32 N4 C25 98.7(6) . . . . ?
C26 C25 N4 C22 98.2(6) . . . . ?
C30 C25 N4 C22 -79.5(7) . . . . ?
C26 C25 N4 C32 -90.2(6) . . . . ?
C30 C25 N4 C32 92.1(6) . . . . ?
C58 C57 N5 C61 -3.6(8) . . . . ?
C58 C57 N5 Pt2 171.3(4) . . . . ?
C60 C61 N5 C57 3.9(7) . . . . ?
C80 C61 N5 C57 -178.4(4) . . . . ?
C60 C61 N5 Pt2 -171.6(3) . . . . ?
C80 C61 N5 Pt2 6.1(5) . . . . ?
C60 C59 N6 C69 10.9(9) . . . . ?
C58 C59 N6 C69 -172.4(5) . . . . ?
C60 C59 N6 C62 -171.5(5) . . . . ?
C58 C59 N6 C62 5.2(8) . . . . ?
C74 C69 N6 C59 48.9(9) . . . . ?
C70 C69 N6 C59 -135.6(6) . . . . ?
C74 C69 N6 C62 -128.7(6) . . . . ?
C70 C69 N6 C62 46.9(7) . . . . ?
C63 C62 N6 C59 -104.4(6) . . . . ?
C67 C62 N6 C59 70.7(7) . . . . ?
C63 C62 N6 C69 73.3(7) . . . . ?
C67 C62 N6 C69 -111.5(6) . . . . ?
C79 C80 N7 C76 -0.1(7) . . . . ?
C61 C80 N7 C76 177.6(5) . . . . ?
C79 C80 N7 Pt2 -178.4(4) . . . . ?
C61 C80 N7 Pt2 -0.7(5) . . . . ?
C77 C76 N7 C80 -0.5(9) . . . . ?
C77 C76 N7 Pt2 177.6(5) . . . . ?
C77 C78 N8 C88 -178.3(5) . . . . ?
C79 C78 N8 C88 2.7(8) . . . . ?
C77 C78 N8 C81 -4.4(8) . . . . ?
C79 C78 N8 C81 176.6(5) . . . . ?
C93 C88 N8 C78 94.7(6) . . . . ?
C89 C88 N8 C78 -86.5(7) . . . . ?
C93 C88 N8 C81 -79.4(6) . . . . ?
C89 C88 N8 C81 99.4(6) . . . . ?
C86 C81 N8 C78 101.7(6) . . . . ?
C82 C81 N8 C78 -77.5(7) . . . . ?
C86 C81 N8 C88 -84.1(6) . . . . ?
C82 C81 N8 C88 96.6(6) . . . . ?
C10 C9 O1 C12 -174.6(6) . . . . ?
C8 C9 O1 C12 5.5(9) . . . . ?
C17 C16 O2 C19 -173.8(7) . . . . ?
C15 C16 O2 C19 6.8(10) . . . . ?
C29 C28 O3 C31 175.9(5) . . . . ?
C27 C28 O3 C31 -4.2(8) . . . . ?
C36 C35 O4 C38 -179.2(6) . . . . ?
C34 C35 O4 C38 -1.7(9) . . . . ?
C66 C65 O5 C68 -176.2(6) . . . . ?
C64 C65 O5 C68 4.5(9) . . . . ?
C71 C72 O6 C75 -8.7(14) . . . . ?
C73 C72 O6 C75 169.2(10) . . . . ?
C83 C84 O7 C87 176.8(5) . . . . ?
C85 C84 O7 C87 -3.5(8) . . . . ?
C90 C91 O8 C94 178.7(6) . . . . ?
C92 C91 O8 C94 -3.7(9) . . . . ?

_refine_diff_density_max         3.227
_refine_diff_density_min         -2.982
_refine_diff_density_rms         0.230



