# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2023

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

data_1a_20srv065
_database_code_depnum_ccdc_archive 'CCDC 2063389'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2021-02-17 deposited with the CCDC.	2023-10-16 downloaded from the CCDC.
;
_audit_creation_date             2020-02-14
_audit_creation_method           
;
Olex2 1.3-beta
(compiled 2020.02.04 svn.rd84adfe8 for OlexSys, GUI svn.r6020)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C55 H48 Cl2 N4 O Pt2, C H4 O'
_chemical_formula_sum            'C56 H52 Cl2 N4 O2 Pt2'
_chemical_formula_weight         1274.09
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Cl Cl 0.3639 0.7018 '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'

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

_cell_length_a                   15.1276(13)
_cell_length_b                   27.580(2)
_cell_length_c                   11.1881(9)
_cell_angle_alpha                90
_cell_angle_beta                 93.815(5)
_cell_angle_gamma                90
_cell_volume                     4657.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3135
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      52.36
_cell_measurement_theta_min      2.93
_shelx_estimated_absorpt_T_max   0.940
_shelx_estimated_absorpt_T_min   0.434
_exptl_absorpt_coefficient_mu    12.508
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.4673
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1060 before and 0.0759 after correction.
The Ratio of minimum to maximum transmission is 0.6199.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             2488
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 0.00 -1.00 0.0430
0.00 0.00 1.00 0.0370
0.00 1.00 0.00 0.0130
0.00 -1.00 0.00 0.0250
-1.00 1.00 0.00 0.0060
1.00 -1.00 0.00 0.0050

_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.2391
_diffrn_reflns_av_unetI/netI     0.1613
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            53291
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.989
_diffrn_reflns_theta_min         2.928
_diffrn_ambient_temperature      120.0
_diffrn_detector                 'Bruker PHOTON 100 CMOS'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'focusing mirrors'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_type              'Incoatec I\mS microsource'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4253
_reflns_number_total             8467
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         1.733
_refine_diff_density_min         -1.470
_refine_diff_density_rms         0.213
_refine_ls_extinction_coef       0.00025(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         8467
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1573
_refine_ls_R_factor_gt           0.0721
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0650P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1445
_refine_ls_wR_factor_ref         0.1808
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Riding coordinates:
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C28(H28A,H28B,
 H28C), C29(H29A,H29B,H29C), C37(H37A,H37B,H37C), C38(H38A,H38B,H38C), C39(H39A,
 H39B,H39C), C1S(H1SA,H1SB,H1SC)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C11(H11), C13(H13), C14(H14),
 C15(H15), C16(H16), C18(H18), C20(H20), C31(H31), C33(H33), C40(H40), C41(H41),
  C42(H42), C43(H43), C48(H48), C50(H50), C52(H52), C53(H53), C54(H54), C55(H55)
2.c Idealised tetrahedral OH refined as rotating group:
 O1S(H1S)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.11770(5) 0.46109(2) 0.15680(6) 0.0425(2) Uani 1 1 d . . . . .
Pt2 Pt 0.37620(5) 0.46878(2) 0.41408(6) 0.0522(3) Uani 1 1 d . . . . .
Cl1 Cl 0.0647(3) 0.38440(14) 0.2266(4) 0.0602(12) Uani 1 1 d . . . . .
Cl2 Cl 0.3291(3) 0.40037(16) 0.5286(4) 0.0737(15) Uani 1 1 d . . . . .
O1 O 0.3759(6) 0.6463(3) 0.0094(8) 0.036(2) Uani 1 1 d . . . . .
N1 N 0.0077(8) 0.5018(4) 0.1680(10) 0.039(3) Uani 1 1 d . . . . .
N2 N 0.2440(8) 0.4416(4) 0.1301(10) 0.040(3) Uani 1 1 d . . . . .
N3 N 0.2664(10) 0.5102(5) 0.4075(11) 0.052(4) Uani 1 1 d . . . . .
N4 N 0.5025(9) 0.4459(4) 0.3873(11) 0.049(3) Uani 1 1 d . . . . .
C1 C -0.0678(11) 0.4894(6) 0.2210(13) 0.049(4) Uani 1 1 d . . . . .
H1 H -0.074240 0.457516 0.251185 0.059 Uiso 1 1 calc R U . . .
C2 C -0.1351(11) 0.5229(7) 0.2312(14) 0.060(5) Uani 1 1 d . . . . .
H2 H -0.184825 0.514566 0.274736 0.071 Uiso 1 1 calc R U . . .
C3 C -0.1311(12) 0.5672(6) 0.1801(14) 0.053(4) Uani 1 1 d . . . . .
H3 H -0.179104 0.589251 0.184654 0.063 Uiso 1 1 calc R U . . .
C4 C -0.0566(11) 0.5807(6) 0.1207(14) 0.050(4) Uani 1 1 d . . . . .
H4 H -0.052959 0.611646 0.084238 0.060 Uiso 1 1 calc R U . . .
C5 C 0.0127(12) 0.5471(5) 0.1165(12) 0.047(4) Uani 1 1 d . . . . .
C6 C 0.1003(11) 0.5582(6) 0.0670(13) 0.046(4) Uani 1 1 d . . . . .
C7 C 0.1574(10) 0.5178(5) 0.0840(11) 0.035(3) Uani 1 1 d . . . . .
C8 C 0.2395(10) 0.5195(5) 0.0479(11) 0.037(4) Uani 1 1 d . . . . .
C9 C 0.2697(10) 0.5611(5) -0.0134(11) 0.035(3) Uani 1 1 d . . . . .
H9 H 0.327822 0.562320 -0.040796 0.042 Uiso 1 1 calc R U . . .
C10 C 0.2099(10) 0.6006(5) -0.0322(11) 0.037(4) Uani 1 1 d . . . . .
C11 C 0.1247(10) 0.5989(5) 0.0088(12) 0.039(4) Uani 1 1 d . . . . .
H11 H 0.085019 0.625435 -0.003548 0.046 Uiso 1 1 calc R U . . .
C12 C 0.2919(10) 0.4765(5) 0.0746(12) 0.032(3) Uani 1 1 d . . . . .
C13 C 0.3810(10) 0.4680(5) 0.0525(13) 0.046(4) Uani 1 1 d . . . . .
H13 H 0.414381 0.492025 0.014500 0.055 Uiso 1 1 calc R U . . .
C14 C 0.4195(11) 0.4241(5) 0.0870(13) 0.047(4) Uani 1 1 d . . . . .
H14 H 0.478505 0.416582 0.069455 0.056 Uiso 1 1 calc R U . . .
C15 C 0.3701(12) 0.3921(5) 0.1465(12) 0.045(4) Uani 1 1 d . . . . .
H15 H 0.397330 0.362983 0.175274 0.054 Uiso 1 1 calc R U . . .
C16 C 0.2842(12) 0.3997(5) 0.1668(13) 0.047(4) Uani 1 1 d . . . . .
H16 H 0.251956 0.375767 0.206675 0.057 Uiso 1 1 calc R U . . .
C17 C 0.2378(10) 0.6444(5) -0.1009(11) 0.034(3) Uani 1 1 d . . . . .
C18 C 0.1798(11) 0.6641(5) -0.1867(12) 0.041(4) Uani 1 1 d . . . . .
H18 H 0.123485 0.649243 -0.201217 0.049 Uiso 1 1 calc R U . . .
C19 C 0.1992(10) 0.7056(5) -0.2548(12) 0.038(4) Uani 1 1 d . . . . .
C20 C 0.2844(10) 0.7260(5) -0.2288(13) 0.042(4) Uani 1 1 d . . . . .
H20 H 0.300697 0.753717 -0.272724 0.050 Uiso 1 1 calc R U . . .
C21 C 0.3440(10) 0.7077(5) -0.1440(12) 0.035(3) Uani 1 1 d . . . . .
C22 C 0.3230(10) 0.6672(5) -0.0824(13) 0.041(4) Uani 1 1 d . . . . .
C23 C 0.1329(10) 0.7259(5) -0.3492(12) 0.040(4) Uani 1 1 d . . . . .
C24 C 0.1146(13) 0.6878(6) -0.4490(15) 0.076(6) Uani 1 1 d . . . . .
H24A H 0.077072 0.701978 -0.514826 0.114 Uiso 1 1 d R U . . .
H24B H 0.084362 0.659878 -0.416246 0.114 Uiso 1 1 d R U . . .
H24C H 0.170902 0.677338 -0.478986 0.114 Uiso 1 1 d R U . . .
C25 C 0.1625(10) 0.7712(6) -0.4076(15) 0.061(5) Uani 1 1 d . . . . .
H25A H 0.122000 0.778967 -0.477001 0.091 Uiso 1 1 d R U . . .
H25B H 0.162810 0.797967 -0.349931 0.091 Uiso 1 1 d R U . . .
H25C H 0.222450 0.766527 -0.433881 0.091 Uiso 1 1 d R U . . .
C26 C 0.0460(11) 0.7374(6) -0.2934(15) 0.066(5) Uani 1 1 d . . . . .
H26A H 0.027165 0.708934 -0.249046 0.099 Uiso 1 1 d R U . . .
H26B H 0.000195 0.745654 -0.356056 0.099 Uiso 1 1 d R U . . .
H26C H 0.055145 0.764784 -0.238246 0.099 Uiso 1 1 d R U . . .
C27 C 0.4355(11) 0.7310(5) -0.1250(13) 0.044(4) Uani 1 1 d . . . . .
C28 C 0.4236(10) 0.7831(4) -0.0887(11) 0.035(3) Uani 1 1 d . . . . .
H28A H 0.395426 0.784086 -0.012401 0.053 Uiso 1 1 d R U . . .
H28B H 0.385876 0.799646 -0.150451 0.053 Uiso 1 1 d R U . . .
H28C H 0.481346 0.799276 -0.079641 0.053 Uiso 1 1 d R U . . .
C29 C 0.4845(10) 0.7271(5) -0.2406(12) 0.044(4) Uani 1 1 d . . . . .
H29A H 0.452595 0.746428 -0.302923 0.066 Uiso 1 1 d R U . . .
H29B H 0.486705 0.693169 -0.266593 0.066 Uiso 1 1 d R U . . .
H29C H 0.545005 0.739538 -0.226563 0.066 Uiso 1 1 d R U . . .
C30 C 0.4895(10) 0.7055(5) -0.0240(12) 0.035(3) Uani 1 1 d . . . . .
C31 C 0.5764(10) 0.7211(5) 0.0090(12) 0.040(4) Uani 1 1 d . . . . .
H31 H 0.600818 0.746737 -0.034846 0.048 Uiso 1 1 calc R U . . .
C32 C 0.6291(9) 0.6999(5) 0.1051(12) 0.032(3) Uani 1 1 d . . . . .
C33 C 0.5932(11) 0.6623(5) 0.1649(13) 0.043(4) Uani 1 1 d . . . . .
H33 H 0.626918 0.648002 0.230406 0.052 Uiso 1 1 calc R U . . .
C34 C 0.5073(10) 0.6438(4) 0.1324(11) 0.031(3) Uani 1 1 d . . . . .
C35 C 0.4584(9) 0.6667(5) 0.0396(12) 0.034(3) Uani 1 1 d . . . . .
C36 C 0.7235(9) 0.7207(5) 0.1354(12) 0.038(4) Uani 1 1 d . . . . .
C37 C 0.7845(9) 0.7014(6) 0.0400(12) 0.048(4) Uani 1 1 d . . . . .
H37A H 0.780882 0.665936 0.036738 0.072 Uiso 1 1 d R U . . .
H37B H 0.765362 0.714896 -0.038492 0.072 Uiso 1 1 d R U . . .
H37C H 0.845842 0.711136 0.061398 0.072 Uiso 1 1 d R U . . .
C38 C 0.7253(10) 0.7750(5) 0.1382(15) 0.058(5) Uani 1 1 d . . . . .
H38A H 0.691114 0.786571 0.203986 0.087 Uiso 1 1 d R U . . .
H38B H 0.699074 0.787671 0.062066 0.087 Uiso 1 1 d R U . . .
H38C H 0.786644 0.786221 0.150506 0.087 Uiso 1 1 d R U . . .
C39 C 0.7619(11) 0.7012(6) 0.2579(13) 0.054(4) Uani 1 1 d . . . . .
H39A H 0.720893 0.709155 0.319256 0.081 Uiso 1 1 d R U . . .
H39B H 0.769753 0.666005 0.254346 0.081 Uiso 1 1 d R U . . .
H39C H 0.819273 0.716715 0.278136 0.081 Uiso 1 1 d R U . . .
C40 C 0.1903(13) 0.4982(7) 0.4568(14) 0.061(5) Uani 1 1 d . . . . .
H40 H 0.185882 0.467486 0.494365 0.073 Uiso 1 1 calc R U . . .
C41 C 0.1205(12) 0.5285(7) 0.4541(13) 0.063(6) Uani 1 1 d . . . . .
H41 H 0.068110 0.519597 0.490955 0.076 Uiso 1 1 calc R U . . .
C42 C 0.1261(13) 0.5742(7) 0.3955(15) 0.067(5) Uani 1 1 d . . . . .
H42 H 0.077582 0.596116 0.391684 0.080 Uiso 1 1 calc R U . . .
C43 C 0.2031(11) 0.5856(6) 0.3449(14) 0.054(5) Uani 1 1 d . . . . .
H43 H 0.208649 0.615919 0.305641 0.065 Uiso 1 1 calc R U . . .
C44 C 0.2715(10) 0.5539(5) 0.3504(14) 0.042(4) Uani 1 1 d . . . . .
C45 C 0.3589(10) 0.5618(5) 0.3025(12) 0.036(3) Uani 1 1 d . . . . .
C46 C 0.4162(11) 0.5220(5) 0.3278(11) 0.038(4) Uani 1 1 d . . . . .
C47 C 0.5008(11) 0.5228(6) 0.2893(14) 0.050(4) Uani 1 1 d . . . . .
C48 C 0.5321(11) 0.5624(5) 0.2255(13) 0.045(4) Uani 1 1 d . . . . .
H48 H 0.590826 0.562806 0.200232 0.054 Uiso 1 1 calc R U . . .
C49 C 0.4737(10) 0.6016(5) 0.2001(12) 0.037(3) Uani 1 1 d . . . . .
C50 C 0.3867(10) 0.6005(5) 0.2390(12) 0.038(4) Uani 1 1 d . . . . .
H50 H 0.347507 0.626813 0.220841 0.045 Uiso 1 1 calc R U . . .
C51 C 0.5493(12) 0.4778(6) 0.3228(14) 0.051(4) Uani 1 1 d . . . . .
C52 C 0.6332(12) 0.4667(5) 0.2951(13) 0.050(4) Uani 1 1 d . . . . .
H52 H 0.666066 0.489007 0.250874 0.060 Uiso 1 1 calc R U . . .
C53 C 0.6715(14) 0.4219(5) 0.3324(14) 0.061(5) Uani 1 1 d . . . . .
H53 H 0.729318 0.413532 0.311270 0.074 Uiso 1 1 calc R U . . .
C54 C 0.6264(15) 0.3919(6) 0.3965(14) 0.068(6) Uani 1 1 d . . . . .
H54 H 0.652111 0.362037 0.423173 0.082 Uiso 1 1 calc R U . . .
C55 C 0.5418(13) 0.4037(5) 0.4248(13) 0.050(4) Uani 1 1 d . . . . .
H55 H 0.510194 0.381865 0.471824 0.060 Uiso 1 1 calc R U . . .
O1S O 0.0607(11) 0.4044(5) 0.4985(14) 0.095(5) Uani 1 1 d . . . . .
H1S H 0.075049 0.406682 0.427444 0.143 Uiso 1 1 calc R U . . .
C1S C 0.0973(12) 0.3653(8) 0.5481(18) 0.075(6) Uani 1 1 d . . . . .
H1SA H 0.114302 0.343089 0.485349 0.113 Uiso 1 1 d R U . . .
H1SB H 0.150112 0.374929 0.597959 0.113 Uiso 1 1 d R U . . .
H1SC H 0.055312 0.349159 0.597959 0.113 Uiso 1 1 d R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.410(4) . ?
Pt1 N1 2.018(12) . ?
Pt1 N2 2.025(12) . ?
Pt1 C7 1.881(13) . ?
Pt2 Cl2 2.415(4) . ?
Pt2 N3 2.013(15) . ?
Pt2 N4 2.053(14) . ?
Pt2 C46 1.879(14) . ?
O1 C22 1.386(15) . ?
O1 C35 1.390(16) . ?
N1 C1 1.365(17) . ?
N1 C5 1.380(17) . ?
N2 C12 1.379(17) . ?
N2 C16 1.356(17) . ?
N3 C40 1.35(2) . ?
N3 C44 1.367(19) . ?
N4 C51 1.366(19) . ?
N4 C55 1.360(18) . ?
C1 H1 0.9500 . ?
C1 C2 1.38(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.35(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.40(2) . ?
C4 H4 0.9500 . ?
C4 C5 1.40(2) . ?
C5 C6 1.50(2) . ?
C6 C7 1.42(2) . ?
C6 C11 1.362(19) . ?
C7 C8 1.331(19) . ?
C8 C9 1.428(17) . ?
C8 C12 1.445(18) . ?
C9 H9 0.9500 . ?
C9 C10 1.425(18) . ?
C10 C11 1.397(19) . ?
C10 C17 1.506(18) . ?
C11 H11 0.9500 . ?
C12 C13 1.41(2) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(18) . ?
C14 H14 0.9500 . ?
C14 C15 1.36(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.35(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.370(18) . ?
C17 C22 1.437(19) . ?
C18 H18 0.9500 . ?
C18 C19 1.415(18) . ?
C19 C20 1.42(2) . ?
C19 C23 1.515(19) . ?
C20 H20 0.9500 . ?
C20 C21 1.361(19) . ?
C21 C22 1.361(19) . ?
C21 C27 1.53(2) . ?
C23 C24 1.54(2) . ?
C23 C25 1.493(19) . ?
C23 C26 1.53(2) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9799 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9801 . ?
C25 H25B 0.9796 . ?
C25 H25C 0.9801 . ?
C26 H26A 0.9799 . ?
C26 H26B 0.9799 . ?
C26 H26C 0.9799 . ?
C27 C28 1.506(18) . ?
C27 C29 1.537(18) . ?
C27 C30 1.522(19) . ?
C28 H28A 0.9799 . ?
C28 H28B 0.9798 . ?
C28 H28C 0.9801 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9801 . ?
C29 H29C 0.9801 . ?
C30 C31 1.41(2) . ?
C30 C35 1.385(19) . ?
C31 H31 0.9500 . ?
C31 C32 1.420(18) . ?
C32 C33 1.366(19) . ?
C32 C36 1.555(18) . ?
C33 H33 0.9500 . ?
C33 C34 1.421(19) . ?
C34 C35 1.386(17) . ?
C34 C49 1.495(17) . ?
C36 C37 1.551(19) . ?
C36 C38 1.50(2) . ?
C36 C39 1.549(19) . ?
C37 H37A 0.9796 . ?
C37 H37B 0.9802 . ?
C37 H37C 0.9798 . ?
C38 H38A 0.9803 . ?
C38 H38B 0.9802 . ?
C38 H38C 0.9797 . ?
C39 H39A 0.9798 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9802 . ?
C40 H40 0.9500 . ?
C40 C41 1.35(2) . ?
C41 H41 0.9500 . ?
C41 C42 1.43(2) . ?
C42 H42 0.9500 . ?
C42 C43 1.36(2) . ?
C43 H43 0.9500 . ?
C43 C44 1.35(2) . ?
C44 C45 1.476(19) . ?
C45 C46 1.416(19) . ?
C45 C50 1.364(18) . ?
C46 C47 1.38(2) . ?
C47 C48 1.40(2) . ?
C47 C51 1.48(2) . ?
C48 H48 0.9500 . ?
C48 C49 1.414(19) . ?
C49 C50 1.413(19) . ?
C50 H50 0.9500 . ?
C51 C52 1.36(2) . ?
C52 H52 0.9500 . ?
C52 C53 1.42(2) . ?
C53 H53 0.9500 . ?
C53 C54 1.31(2) . ?
C54 H54 0.9500 . ?
C54 C55 1.38(2) . ?
C55 H55 0.9500 . ?
O1S H1S 0.8400 . ?
O1S C1S 1.32(2) . ?
C1S H1SA 0.9799 . ?
C1S H1SB 0.9801 . ?
C1S H1SC 0.9801 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 Cl1 100.1(3) . . ?
N1 Pt1 N2 161.2(4) . . ?
N2 Pt1 Cl1 98.7(3) . . ?
C7 Pt1 Cl1 173.2(4) . . ?
C7 Pt1 N1 81.5(6) . . ?
C7 Pt1 N2 79.9(6) . . ?
N3 Pt2 Cl2 101.0(4) . . ?
N3 Pt2 N4 160.5(5) . . ?
N4 Pt2 Cl2 98.5(4) . . ?
C46 Pt2 Cl2 178.2(5) . . ?
C46 Pt2 N3 80.2(6) . . ?
C46 Pt2 N4 80.3(6) . . ?
C22 O1 C35 118.5(11) . . ?
C1 N1 Pt1 127.3(10) . . ?
C1 N1 C5 118.6(14) . . ?
C5 N1 Pt1 114.2(10) . . ?
C12 N2 Pt1 114.2(9) . . ?
C16 N2 Pt1 126.2(11) . . ?
C16 N2 C12 119.5(13) . . ?
C40 N3 Pt2 124.7(12) . . ?
C40 N3 C44 118.9(16) . . ?
C44 N3 Pt2 116.5(11) . . ?
C51 N4 Pt2 113.5(11) . . ?
C55 N4 Pt2 127.6(12) . . ?
C55 N4 C51 118.9(15) . . ?
N1 C1 H1 119.6 . . ?
N1 C1 C2 120.7(15) . . ?
C2 C1 H1 119.6 . . ?
C1 C2 H2 119.6 . . ?
C3 C2 C1 120.9(16) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(16) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 121.0 . . ?
C3 C4 C5 118.0(15) . . ?
C5 C4 H4 121.0 . . ?
N1 C5 C4 121.5(16) . . ?
N1 C5 C6 114.4(14) . . ?
C4 C5 C6 123.9(14) . . ?
C7 C6 C5 109.6(13) . . ?
C11 C6 C5 128.3(15) . . ?
C11 C6 C7 122.0(15) . . ?
C6 C7 Pt1 120.2(11) . . ?
C8 C7 Pt1 119.4(12) . . ?
C8 C7 C6 120.4(13) . . ?
C7 C8 C9 120.6(14) . . ?
C7 C8 C12 114.8(13) . . ?
C9 C8 C12 124.6(14) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 C8 117.7(13) . . ?
C10 C9 H9 121.1 . . ?
C9 C10 C17 119.4(13) . . ?
C11 C10 C9 121.2(13) . . ?
C11 C10 C17 119.4(13) . . ?
C6 C11 C10 118.1(14) . . ?
C6 C11 H11 121.0 . . ?
C10 C11 H11 121.0 . . ?
N2 C12 C8 111.6(12) . . ?
N2 C12 C13 120.1(13) . . ?
C13 C12 C8 128.3(13) . . ?
C12 C13 H13 120.5 . . ?
C14 C13 C12 119.1(15) . . ?
C14 C13 H13 120.5 . . ?
C13 C14 H14 121.0 . . ?
C15 C14 C13 118.0(15) . . ?
C15 C14 H14 121.0 . . ?
C14 C15 H15 118.4 . . ?
C16 C15 C14 123.3(15) . . ?
C16 C15 H15 118.4 . . ?
N2 C16 H16 120.0 . . ?
C15 C16 N2 119.9(14) . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C10 119.2(13) . . ?
C18 C17 C22 116.9(12) . . ?
C22 C17 C10 123.9(12) . . ?
C17 C18 H18 118.2 . . ?
C17 C18 C19 123.6(14) . . ?
C19 C18 H18 118.2 . . ?
C18 C19 C20 115.4(13) . . ?
C18 C19 C23 121.6(13) . . ?
C20 C19 C23 123.1(13) . . ?
C19 C20 H20 118.5 . . ?
C21 C20 C19 123.1(14) . . ?
C21 C20 H20 118.5 . . ?
C20 C21 C22 119.4(14) . . ?
C20 C21 C27 119.5(13) . . ?
C22 C21 C27 120.9(13) . . ?
O1 C22 C17 113.1(12) . . ?
C21 C22 O1 125.1(13) . . ?
C21 C22 C17 121.6(13) . . ?
C19 C23 C24 109.3(12) . . ?
C19 C23 C26 109.8(12) . . ?
C25 C23 C19 114.3(13) . . ?
C25 C23 C24 107.3(13) . . ?
C25 C23 C26 107.3(13) . . ?
C26 C23 C24 108.6(14) . . ?
C23 C24 H24A 109.9 . . ?
C23 C24 H24B 109.3 . . ?
C23 C24 H24C 109.3 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.8 . . ?
C23 C25 H25B 109.3 . . ?
C23 C25 H25C 109.3 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.2 . . ?
C23 C26 H26B 110.1 . . ?
C23 C26 H26C 109.2 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.4 . . ?
H26B C26 H26C 109.5 . . ?
C21 C27 C29 109.7(12) . . ?
C28 C27 C21 108.4(13) . . ?
C28 C27 C29 111.5(12) . . ?
C28 C27 C30 107.9(12) . . ?
C30 C27 C21 110.3(12) . . ?
C30 C27 C29 109.1(13) . . ?
C27 C28 H28A 109.2 . . ?
C27 C28 H28B 109.2 . . ?
C27 C28 H28C 110.0 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 108.5 . . ?
C27 C29 H29B 110.2 . . ?
C27 C29 H29C 109.7 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C27 120.0(13) . . ?
C35 C30 C27 123.7(14) . . ?
C35 C30 C31 116.4(13) . . ?
C30 C31 H31 118.7 . . ?
C30 C31 C32 122.7(13) . . ?
C32 C31 H31 118.7 . . ?
C31 C32 C36 118.3(12) . . ?
C33 C32 C31 117.5(13) . . ?
C33 C32 C36 124.2(13) . . ?
C32 C33 H33 118.9 . . ?
C32 C33 C34 122.2(14) . . ?
C34 C33 H33 118.9 . . ?
C33 C34 C49 119.1(12) . . ?
C35 C34 C33 117.5(12) . . ?
C35 C34 C49 123.4(14) . . ?
C30 C35 O1 121.2(13) . . ?
C30 C35 C34 123.7(14) . . ?
C34 C35 O1 115.0(12) . . ?
C37 C36 C32 107.7(11) . . ?
C38 C36 C32 112.8(12) . . ?
C38 C36 C37 110.3(13) . . ?
C38 C36 C39 108.7(13) . . ?
C39 C36 C32 110.5(11) . . ?
C39 C36 C37 106.5(12) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.4 . . ?
C36 C37 H37C 109.6 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.4 . . ?
C36 C38 H38B 109.4 . . ?
C36 C38 H38C 109.6 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.0 . . ?
C36 C39 H39B 110.3 . . ?
C36 C39 H39C 109.2 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N3 C40 H40 119.1 . . ?
C41 C40 N3 121.8(18) . . ?
C41 C40 H40 119.1 . . ?
C40 C41 H41 120.4 . . ?
C40 C41 C42 119.3(17) . . ?
C42 C41 H41 120.4 . . ?
C41 C42 H42 120.9 . . ?
C43 C42 C41 118.3(19) . . ?
C43 C42 H42 120.9 . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.1(17) . . ?
C44 C43 H43 119.9 . . ?
N3 C44 C45 112.3(14) . . ?
C43 C44 N3 121.6(14) . . ?
C43 C44 C45 126.0(14) . . ?
C46 C45 C44 111.3(13) . . ?
C50 C45 C44 128.3(15) . . ?
C50 C45 C46 120.4(14) . . ?
C45 C46 Pt2 119.7(11) . . ?
C47 C46 Pt2 120.7(12) . . ?
C47 C46 C45 119.6(13) . . ?
C46 C47 C48 121.6(15) . . ?
C46 C47 C51 111.2(15) . . ?
C48 C47 C51 127.2(17) . . ?
C47 C48 H48 121.0 . . ?
C47 C48 C49 118.0(15) . . ?
C49 C48 H48 121.0 . . ?
C48 C49 C34 117.9(13) . . ?
C50 C49 C34 121.8(13) . . ?
C50 C49 C48 120.2(13) . . ?
C45 C50 C49 120.2(14) . . ?
C45 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
N4 C51 C47 114.2(16) . . ?
C52 C51 N4 119.9(15) . . ?
C52 C51 C47 125.8(16) . . ?
C51 C52 H52 120.1 . . ?
C51 C52 C53 119.9(17) . . ?
C53 C52 H52 120.1 . . ?
C52 C53 H53 120.2 . . ?
C54 C53 C52 120(2) . . ?
C54 C53 H53 120.2 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0(17) . . ?
C55 C54 H54 120.0 . . ?
N4 C55 C54 121.7(16) . . ?
N4 C55 H55 119.1 . . ?
C54 C55 H55 119.1 . . ?
C1S O1S H1S 109.5 . . ?
O1S C1S H1SA 109.5 . . ?
O1S C1S H1SB 108.9 . . ?
O1S C1S H1SC 110.1 . . ?
H1SA C1S H1SB 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1S H1S Cl1 0.84 2.32 3.096(16) 152.9 . yes

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
C9 C10 C17 C18 135.2(14) . . . . ?
C9 C10 C17 C22 -44.6(19) . . . . ?
C11 C10 C17 C18 -42.8(18) . . . . ?
C11 C10 C17 C22 137.3(15) . . . . ?
C18 C19 C23 C24 -62.9(18) . . . . ?
C18 C19 C23 C25 176.9(14) . . . . ?
C18 C19 C23 C26 56.1(18) . . . . ?
C20 C19 C23 C24 116.6(16) . . . . ?
C20 C19 C23 C25 -4(2) . . . . ?
C20 C19 C23 C26 -124.4(15) . . . . ?
C31 C32 C36 C37 -76.6(15) . . . . ?
C31 C32 C36 C38 45.4(17) . . . . ?
C31 C32 C36 C39 167.4(12) . . . . ?
C33 C32 C36 C37 103.2(15) . . . . ?
C33 C32 C36 C38 -134.9(15) . . . . ?
C33 C32 C36 C39 -12.9(19) . . . . ?
C33 C34 C49 C48 -44.3(18) . . . . ?
C33 C34 C49 C50 135.2(14) . . . . ?
C35 C34 C49 C48 136.7(14) . . . . ?
C35 C34 C49 C50 -43.8(19) . . . . ?


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

data_3b_18srv388
_database_code_depnum_ccdc_archive 'CCDC 2063392'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2021-02-17 deposited with the CCDC.	2023-10-16 downloaded from the CCDC.
;


_audit_creation_date             2018-09-17
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C75 H58 N4 O Pt2'
_chemical_formula_sum            'C75 H58 N4 O Pt2'
_chemical_formula_weight         1421.43
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0032 0.0015 '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 0.0060 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0108 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.3879 8.1780 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   12.3705(16)
_cell_length_b                   14.832(2)
_cell_length_c                   17.645(2)
_cell_angle_alpha                65.796(3)
_cell_angle_beta                 87.028(3)
_cell_angle_gamma                73.841(3)
_cell_volume                     2829.0(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9674
_cell_measurement_temperature    100
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.30
_shelx_estimated_absorpt_T_max   0.977
_shelx_estimated_absorpt_T_min   0.894
_exptl_absorpt_coefficient_mu    4.596
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;    
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1321 before and 0.0893 after correction. 
The Ratio of minimum to maximum transmission is 0.3862. 
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark brown'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.005
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_unetI/netI     0.1630
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            38279
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.415
_diffrn_reflns_theta_max         26.999
_diffrn_reflns_theta_min         1.511
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Photon counting pixel array'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'Dectris Pilatus 2M'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'Fixed χ 3-circle diffractometer'
_diffrn_measurement_device_type  synchrotron
_diffrn_measurement_method       'φ and ω scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMount'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.6889
_diffrn_source                   Synchrotron
_diffrn_source_type              'Undulator, I19, DLS, RAL'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8025
_reflns_number_total             13486
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing.bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS, 2016)'
_computing_data_collection       'GDA 8.44; generic data acquisition software'
_computing_data_reduction        'SAINT v8.38A (Bruker AXS, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         5.252
_refine_diff_density_min         -0.891
_refine_diff_density_rms         0.256
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         13486
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.1245
_refine_ls_R_factor_gt           0.0864
_refine_ls_restrained_S_all      0.981
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1200P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2375
_refine_ls_wR_factor_ref         0.2684
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C40-C41 \\sim C40-C42 \\sim C41A-C40 \\sim C40-C42A \\sim C40-C43 \\sim
C40-C43A
 with sigma of 0.005
3. Others
 Fixed Sof: C41(0.5) H41A(0.5) H41B(0.5) H41C(0.5) C41A(0.5) H41D(0.5)
 H41E(0.5) H41F(0.5) C42(0.5) H42A(0.5) H42B(0.5) H42C(0.5) C42A(0.5) H42D(0.5)
 H42E(0.5) H42F(0.5) C43(0.5) H43A(0.5) H43B(0.5) H43C(0.5) C43A(0.5) H43D(0.5)
 H43E(0.5) H43F(0.5)
4.a Riding coordinates:
 C41(H41A,H41B,H41C), C41A(H41D,H41E,H41F), C42(H42A,H42B,H42C), C42A(H42D,
 H42E,H42F), C43(H43A,H43B,H43C), C43A(H43D,H43E,H43F)
4.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C5(H5), C6(H6), C7(H7), C13(H13), C14(H14), C15(H15),
 C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C28(H28), C30(H30),
  C34(H34), C36(H36), C52(H52), C53(H53), C55(H55), C56(H56), C57(H57),
 C58(H58), C64(H64), C65(H65), C66(H66), C69(H69), C70(H70), C71(H71), C72(H72),
  C74(H74), C75(H75)
4.c Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C47(H47A,H47B,H47C), C48(H48A,H48B,
 H48C), C49(H49A,H49B,H49C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.19200(3) 0.36975(3) 0.07603(2) 0.07000(19) Uani 1 1 d . . . . .
Pt2 Pt 0.43779(4) 0.14060(3) 0.06032(3) 0.07190(19) Uani 1 1 d . . . . .
O1 O 0.4819(6) 0.2157(5) 0.3200(4) 0.0726(17) Uani 1 1 d . . . . .
N1 N 0.1766(8) 0.5120(7) -0.0121(5) 0.072(2) Uani 1 1 d . . . . .
N2 N 0.1843(8) 0.2230(7) 0.1314(6) 0.080(3) Uani 1 1 d . . . . .
N3 N 0.4275(8) 0.2827(8) -0.0226(6) 0.076(2) Uani 1 1 d . . . . .
N4 N 0.4207(9) -0.0057(8) 0.1121(7) 0.081(2) Uani 1 1 d . . . . .
C1 C 0.2292(10) 0.5766(9) -0.0036(7) 0.083(3) Uani 1 1 d . . . . .
H1 H 0.268197 0.556911 0.048243 0.099 Uiso 1 1 calc R . . . .
C2 C 0.2280(12) 0.6682(11) -0.0664(8) 0.091(3) Uani 1 1 d . . . . .
H2 H 0.271187 0.709067 -0.060379 0.109 Uiso 1 1 calc R . . . .
C3 C 0.1628(11) 0.7019(9) -0.1399(8) 0.084(3) Uani 1 1 d . . . . .
C4 C 0.1605(13) 0.7992(9) -0.2051(9) 0.101(4) Uani 1 1 d . . . . .
H4 H 0.204026 0.839774 -0.199023 0.121 Uiso 1 1 calc R . . . .
C5 C 0.0931(17) 0.8340(12) -0.2782(10) 0.118(5) Uani 1 1 d . . . . .
H5 H 0.093923 0.896314 -0.324238 0.141 Uiso 1 1 calc R . . . .
C6 C 0.0244(15) 0.7754(12) -0.2821(9) 0.119(5) Uani 1 1 d . . . . .
H6 H -0.029027 0.803421 -0.328384 0.143 Uiso 1 1 calc R . . . .
C7 C 0.0310(12) 0.6781(10) -0.2213(7) 0.090(3) Uani 1 1 d . . . . .
H7 H -0.013707 0.638650 -0.227758 0.108 Uiso 1 1 calc R . . . .
C8 C 0.1056(10) 0.6377(9) -0.1489(7) 0.078(3) Uani 1 1 d . . . . .
C9 C 0.1161(9) 0.5378(8) -0.0846(6) 0.072(3) Uani 1 1 d . . . . .
C10 C 0.0801(9) 0.4544(9) -0.0868(6) 0.076(3) Uani 1 1 d . . . . .
C11 C 0.1097(10) 0.3672(9) -0.0104(6) 0.071(3) Uani 1 1 d . . . . .
C12 C 0.0830(9) 0.2750(8) 0.0017(7) 0.068(2) Uani 1 1 d . . . . .
C13 C 0.0327(11) 0.2701(10) -0.0636(8) 0.087(3) Uani 1 1 d . . . . .
H13 H 0.017323 0.208084 -0.056717 0.104 Uiso 1 1 calc R . . . .
C14 C 0.0054(14) 0.3518(13) -0.1362(8) 0.106(4) Uani 1 1 d . . . . .
H14 H -0.026108 0.345256 -0.181061 0.127 Uiso 1 1 calc R . . . .
C15 C 0.0213(11) 0.4479(10) -0.1496(6) 0.083(3) Uani 1 1 d . . . . .
H15 H -0.007057 0.506793 -0.200063 0.099 Uiso 1 1 calc R . . . .
C16 C 0.1220(9) 0.1944(8) 0.0890(7) 0.073(3) Uani 1 1 d . . . . .
C17 C 0.1032(9) 0.0937(8) 0.1263(7) 0.074(3) Uani 1 1 d . . . . .
C18 C 0.0316(12) 0.0606(10) 0.0952(9) 0.093(4) Uani 1 1 d . . . . .
H18 H -0.010039 0.106529 0.043619 0.111 Uiso 1 1 calc R . . . .
C19 C 0.0159(13) -0.0375(10) 0.1349(11) 0.110(5) Uani 1 1 d . . . . .
H19 H -0.036399 -0.056673 0.111175 0.131 Uiso 1 1 calc R . . . .
C20 C 0.0746(14) -0.1031(10) 0.2059(10) 0.107(5) Uani 1 1 d . . . . .
H20 H 0.068037 -0.171400 0.230190 0.128 Uiso 1 1 calc R . . . .
C21 C 0.1435(14) -0.0772(12) 0.2453(10) 0.110(5) Uani 1 1 d . . . . .
H21 H 0.181826 -0.125224 0.297580 0.132 Uiso 1 1 calc R . . . .
C22 C 0.1581(11) 0.0253(9) 0.2063(8) 0.086(3) Uani 1 1 d . . . . .
C23 C 0.2290(12) 0.0581(9) 0.2443(8) 0.088(3) Uani 1 1 d . . . . .
H23 H 0.270420 0.011208 0.295728 0.106 Uiso 1 1 calc R . . . .
C24 C 0.2381(11) 0.1566(9) 0.2073(8) 0.090(3) Uani 1 1 d . . . . .
H24 H 0.282326 0.178784 0.234896 0.108 Uiso 1 1 calc R . . . .
C25 C 0.2668(11) 0.3742(8) 0.1726(7) 0.080(3) Uani 1 1 d . . . . .
C26 C 0.3010(9) 0.3751(7) 0.2382(6) 0.069(2) Uani 1 1 d . . . . .
C27 C 0.3432(10) 0.3603(7) 0.3154(6) 0.073(3) Uani 1 1 d . . . . .
C28 C 0.2925(11) 0.4278(9) 0.3558(8) 0.093(3) Uani 1 1 d . . . . .
H28 H 0.231074 0.486614 0.327165 0.112 Uiso 1 1 calc R . . . .
C29 C 0.3298(11) 0.4100(9) 0.4337(7) 0.089(3) Uani 1 1 d . . . . .
C30 C 0.4196(10) 0.3280(8) 0.4733(6) 0.079(3) Uani 1 1 d . . . . .
H30 H 0.445916 0.315734 0.527246 0.095 Uiso 1 1 calc R . . . .
C31 C 0.4748(10) 0.2610(7) 0.4375(6) 0.072(3) Uani 1 1 d . . . . .
C32 C 0.5726(9) 0.1644(7) 0.4885(6) 0.071(2) Uani 1 1 d . . . . .
C33 C 0.6235(9) 0.1086(7) 0.4327(6) 0.069(2) Uani 1 1 d . . . . .
C34 C 0.7191(10) 0.0212(8) 0.4640(7) 0.082(3) Uani 1 1 d . . . . .
H34 H 0.752084 0.001274 0.517941 0.098 Uiso 1 1 calc R . . . .
C35 C 0.7671(9) -0.0370(7) 0.4187(6) 0.076(3) Uani 1 1 d . . . . .
C36 C 0.7167(9) -0.0041(7) 0.3412(7) 0.076(3) Uani 1 1 d . . . . .
H36 H 0.746445 -0.042600 0.309389 0.092 Uiso 1 1 calc R . . . .
C37 C 0.6223(9) 0.0844(6) 0.3052(6) 0.065(2) Uani 1 1 d . . . . .
C38 C 0.5783(9) 0.1372(7) 0.3550(5) 0.067(2) Uani 1 1 d . . . . .
C39 C 0.4377(8) 0.2772(7) 0.3607(6) 0.069(2) Uani 1 1 d . . . . .
C40 C 0.2654(14) 0.4842(9) 0.4726(8) 0.121(5) Uani 1 1 d D . . . .
C41 C 0.171(2) 0.572(2) 0.4143(18) 0.128(10) Uiso 0.5 1 d D . P A 1
H41A H 0.138550 0.618978 0.439802 0.192 Uiso 0.5 1 d R . P A 1
H41B H 0.113370 0.545318 0.404202 0.192 Uiso 0.5 1 d R . P A 1
H41C H 0.199440 0.608328 0.362482 0.192 Uiso 0.5 1 d R . P A 1
C41A C 0.271(3) 0.5919(16) 0.4154(18) 0.134(10) Uiso 0.5 1 d D . P A 2
H41D H 0.343007 0.600414 0.424810 0.200 Uiso 0.5 1 d R . P A 2
H41E H 0.212067 0.640974 0.427000 0.200 Uiso 0.5 1 d R . P A 2
H41F H 0.261697 0.602734 0.358350 0.200 Uiso 0.5 1 d R . P A 2
C42 C 0.355(2) 0.521(3) 0.499(3) 0.169(15) Uiso 0.5 1 d D . P A 1
H42A H 0.426719 0.470278 0.507243 0.253 Uiso 0.5 1 d R . P A 1
H42B H 0.336109 0.528138 0.549663 0.253 Uiso 0.5 1 d R . P A 1
H42C H 0.358489 0.585478 0.456113 0.253 Uiso 0.5 1 d R . P A 1
C42A C 0.304(3) 0.434(3) 0.5648(12) 0.150(12) Uiso 0.5 1 d D . P A 2
H42D H 0.315647 0.360613 0.585445 0.224 Uiso 0.5 1 d R . P A 2
H42E H 0.246897 0.460973 0.595155 0.224 Uiso 0.5 1 d R . P A 2
H42F H 0.372727 0.447593 0.571995 0.224 Uiso 0.5 1 d R . P A 2
C43 C 0.227(2) 0.4259(18) 0.5576(12) 0.105(7) Uiso 0.5 1 d D . P A 1
H43A H 0.161894 0.406124 0.550555 0.157 Uiso 0.5 1 d R . P A 1
H43B H 0.207954 0.469734 0.586875 0.157 Uiso 0.5 1 d R . P A 1
H43C H 0.286524 0.365424 0.589055 0.157 Uiso 0.5 1 d R . P A 1
C43A C 0.1413(16) 0.488(3) 0.473(2) 0.156(13) Uiso 0.5 1 d D . P A 2
H43D H 0.123202 0.466014 0.432127 0.234 Uiso 0.5 1 d R . P A 2
H43E H 0.096342 0.557234 0.459907 0.234 Uiso 0.5 1 d R . P A 2
H43F H 0.125752 0.443164 0.527097 0.234 Uiso 0.5 1 d R . P A 2
C44 C 0.6647(11) 0.1953(9) 0.5188(7) 0.093(3) Uani 1 1 d . . . . .
H44A H 0.698241 0.237741 0.470656 0.139 Uiso 1 1 calc GR . . . .
H44B H 0.723180 0.133193 0.553591 0.139 Uiso 1 1 calc GR . . . .
H44C H 0.631555 0.234706 0.551453 0.139 Uiso 1 1 calc GR . . . .
C45 C 0.5253(11) 0.0902(8) 0.5628(6) 0.093(3) Uani 1 1 d . . . . .
H45A H 0.498886 0.121675 0.601973 0.139 Uiso 1 1 calc GR . . . .
H45B H 0.584698 0.025580 0.590903 0.139 Uiso 1 1 calc GR . . . .
H45C H 0.462186 0.075992 0.542689 0.139 Uiso 1 1 calc GR . . . .
C46 C 0.8624(11) -0.1354(9) 0.4584(8) 0.093(3) Uani 1 1 d . . . . .
C47 C 0.9636(12) -0.1055(10) 0.4748(11) 0.137(6) Uani 1 1 d . . . . .
H47A H 0.995887 -0.072962 0.422002 0.205 Uiso 1 1 calc GR . . . .
H47B H 1.020433 -0.167229 0.511976 0.205 Uiso 1 1 calc GR . . . .
H47C H 0.939784 -0.056930 0.501007 0.205 Uiso 1 1 calc GR . . . .
C48 C 0.8284(10) -0.2077(9) 0.5393(7) 0.097(3) Uani 1 1 d . . . . .
H48A H 0.813172 -0.174831 0.578447 0.146 Uiso 1 1 calc GR . . . .
H48B H 0.889797 -0.271732 0.563474 0.146 Uiso 1 1 calc GR . . . .
H48C H 0.760344 -0.223215 0.528431 0.146 Uiso 1 1 calc GR . . . .
C49 C 0.9010(14) -0.1921(11) 0.3992(10) 0.130(6) Uani 1 1 d . . . . .
H49A H 0.840301 -0.217792 0.389939 0.195 Uiso 1 1 calc GR . . . .
H49B H 0.968420 -0.250033 0.425029 0.195 Uiso 1 1 calc GR . . . .
H49C H 0.918539 -0.143764 0.345789 0.195 Uiso 1 1 calc GR . . . .
C50 C 0.5723(9) 0.1133(8) 0.2248(7) 0.070(2) Uani 1 1 d . . . . .
C51 C 0.5260(11) 0.1300(8) 0.1558(7) 0.072(3) Uani 1 1 d . . . . .
C52 C 0.4799(10) 0.3465(10) -0.0086(7) 0.081(3) Uani 1 1 d . . . . .
H52 H 0.518228 0.324188 0.044047 0.098 Uiso 1 1 calc R . . . .
C53 C 0.4766(12) 0.4432(10) -0.0711(9) 0.091(4) Uani 1 1 d . . . . .
H53 H 0.518190 0.483145 -0.061713 0.109 Uiso 1 1 calc R . . . .
C54 C 0.4150(12) 0.4821(11) -0.1458(8) 0.090(4) Uani 1 1 d . . . . .
C55 C 0.4082(12) 0.5794(9) -0.2057(8) 0.090(3) Uani 1 1 d . . . . .
H55 H 0.451950 0.618333 -0.197068 0.108 Uiso 1 1 calc R . . . .
C56 C 0.3408(14) 0.6206(11) -0.2763(9) 0.105(4) Uani 1 1 d . . . . .
H56 H 0.335985 0.688492 -0.316169 0.126 Uiso 1 1 calc R . . . .
C57 C 0.2790(16) 0.5643(12) -0.2904(8) 0.122(6) Uani 1 1 d . . . . .
H57 H 0.230500 0.594158 -0.339643 0.146 Uiso 1 1 calc R . . . .
C58 C 0.2866(12) 0.4638(10) -0.2331(7) 0.093(4) Uani 1 1 d . . . . .
H58 H 0.243133 0.426196 -0.244024 0.112 Uiso 1 1 calc R . . . .
C59 C 0.3575(10) 0.4173(9) -0.1596(7) 0.075(3) Uani 1 1 d . . . . .
C60 C 0.3710(9) 0.3145(8) -0.0965(7) 0.074(3) Uani 1 1 d . . . . .
C61 C 0.3280(10) 0.2328(10) -0.1030(8) 0.074(3) Uani 1 1 d . . . . .
C62 C 0.3552(10) 0.1483(9) -0.0302(6) 0.069(3) Uani 1 1 d . . . . .
C63 C 0.3252(10) 0.0546(10) -0.0205(8) 0.080(3) Uani 1 1 d . . . . .
C64 C 0.2823(11) 0.0543(11) -0.0937(9) 0.088(3) Uani 1 1 d . . . . .
H64 H 0.271046 -0.006691 -0.093426 0.106 Uiso 1 1 calc R . . . .
C65 C 0.2582(12) 0.1417(11) -0.1626(8) 0.091(4) Uani 1 1 d . . . . .
H65 H 0.223172 0.141926 -0.209369 0.109 Uiso 1 1 calc R . . . .
C66 C 0.2799(11) 0.2311(11) -0.1716(7) 0.085(3) Uani 1 1 d . . . . .
H66 H 0.262434 0.290138 -0.223160 0.101 Uiso 1 1 calc R . . . .
C67 C 0.3625(9) -0.0287(8) 0.0662(7) 0.071(2) Uani 1 1 d . . . . .
C68 C 0.3387(9) -0.1271(9) 0.0979(7) 0.077(3) Uani 1 1 d . . . . .
C69 C 0.2671(13) -0.1563(12) 0.0600(10) 0.100(4) Uani 1 1 d . . . . .
H69 H 0.226840 -0.107585 0.008625 0.120 Uiso 1 1 calc R . . . .
C70 C 0.2524(15) -0.2555(12) 0.0953(11) 0.111(5) Uani 1 1 d . . . . .
H70 H 0.202382 -0.273187 0.068250 0.133 Uiso 1 1 calc R . . . .
C71 C 0.3092(15) -0.3245(12) 0.1669(12) 0.119(6) Uani 1 1 d . . . . .
H71 H 0.303928 -0.393174 0.188434 0.143 Uiso 1 1 calc R . . . .
C72 C 0.3739(13) -0.2992(13) 0.2096(10) 0.106(4) Uani 1 1 d . . . . .
H72 H 0.409950 -0.348581 0.262295 0.127 Uiso 1 1 calc R . . . .
C73 C 0.3884(11) -0.1983(9) 0.1759(9) 0.087(3) Uani 1 1 d . . . . .
C74 C 0.4529(12) -0.1680(11) 0.2224(9) 0.100(4) Uani 1 1 d . . . . .
H74 H 0.487150 -0.215116 0.276162 0.120 Uiso 1 1 calc R . . . .
C75 C 0.4634(12) -0.0737(10) 0.1889(8) 0.096(4) Uani 1 1 d . . . . .
H75 H 0.503055 -0.053055 0.220746 0.115 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.006(8) . ?
Pt1 N2 2.016(10) . ?
Pt1 C11 1.895(11) . ?
Pt1 C25 2.014(13) . ?
Pt2 N3 1.985(11) . ?
Pt2 N4 2.049(11) . ?
Pt2 C51 1.983(12) . ?
Pt2 C62 1.888(10) . ?
O1 C38 1.369(12) . ?
O1 C39 1.366(11) . ?
N1 C1 1.356(15) . ?
N1 C9 1.373(15) . ?
N2 C16 1.354(16) . ?
N2 C24 1.362(14) . ?
N3 C52 1.389(15) . ?
N3 C60 1.348(14) . ?
N4 C67 1.309(15) . ?
N4 C75 1.338(16) . ?
C1 H1 0.9500 . ?
C1 C2 1.353(17) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(19) . ?
C3 C4 1.424(17) . ?
C3 C8 1.394(17) . ?
C4 H4 0.9500 . ?
C4 C5 1.40(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.40(2) . ?
C6 H6 0.9500 . ?
C6 C7 1.383(19) . ?
C7 H7 0.9500 . ?
C7 C8 1.424(17) . ?
C8 C9 1.424(15) . ?
C9 C10 1.441(17) . ?
C10 C11 1.408(14) . ?
C10 C15 1.406(17) . ?
C11 C12 1.425(17) . ?
C12 C13 1.373(17) . ?
C12 C16 1.511(15) . ?
C13 H13 0.9500 . ?
C13 C14 1.330(18) . ?
C14 H14 0.9500 . ?
C14 C15 1.415(19) . ?
C15 H15 0.9500 . ?
C16 C17 1.446(15) . ?
C17 C18 1.356(18) . ?
C17 C22 1.423(17) . ?
C18 H18 0.9500 . ?
C18 C19 1.397(18) . ?
C19 H19 0.9500 . ?
C19 C20 1.32(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.35(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.45(2) . ?
C22 C23 1.42(2) . ?
C23 H23 0.9500 . ?
C23 C24 1.370(18) . ?
C24 H24 0.9500 . ?
C25 C26 1.258(15) . ?
C26 C27 1.393(14) . ?
C27 C28 1.447(15) . ?
C27 C39 1.418(15) . ?
C28 H28 0.9500 . ?
C28 C29 1.370(16) . ?
C29 C30 1.354(16) . ?
C29 C40 1.547(16) . ?
C30 H30 0.9500 . ?
C30 C31 1.394(13) . ?
C31 C32 1.554(15) . ?
C31 C39 1.358(13) . ?
C32 C33 1.538(14) . ?
C32 C44 1.532(14) . ?
C32 C45 1.538(13) . ?
C33 C34 1.418(15) . ?
C33 C38 1.357(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.403(15) . ?
C35 C36 1.366(15) . ?
C35 C46 1.517(15) . ?
C36 H36 0.9500 . ?
C36 C37 1.424(14) . ?
C37 C38 1.400(13) . ?
C37 C50 1.423(14) . ?
C40 C41 1.521(12) . ?
C40 C41A 1.521(12) . ?
C40 C42 1.522(12) . ?
C40 C42A 1.521(12) . ?
C40 C43 1.521(12) . ?
C40 C43A 1.521(12) . ?
C41 H41A 0.9599 . ?
C41 H41B 0.9601 . ?
C41 H41C 0.9600 . ?
C41A H41D 0.9599 . ?
C41A H41E 0.9600 . ?
C41A H41F 0.9603 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C42A H42D 0.9600 . ?
C42A H42E 0.9601 . ?
C42A H42F 0.9600 . ?
C43 H43A 0.9599 . ?
C43 H43B 0.9602 . ?
C43 H43C 0.9599 . ?
C43A H43D 0.9599 . ?
C43A H43E 0.9601 . ?
C43A H43F 0.9601 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.517(19) . ?
C46 C48 1.516(17) . ?
C46 C49 1.571(19) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 C51 1.272(15) . ?
C52 H52 0.9500 . ?
C52 C53 1.397(18) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(19) . ?
C54 C55 1.377(18) . ?
C54 C59 1.442(17) . ?
C55 H55 0.9500 . ?
C55 C56 1.35(2) . ?
C56 H56 0.9500 . ?
C56 C57 1.37(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.396(19) . ?
C58 H58 0.9500 . ?
C58 C59 1.406(18) . ?
C59 C60 1.441(16) . ?
C60 C61 1.497(15) . ?
C61 C62 1.351(17) . ?
C61 C66 1.389(15) . ?
C62 C63 1.477(17) . ?
C63 C64 1.425(16) . ?
C63 C67 1.511(17) . ?
C64 H64 0.9500 . ?
C64 C65 1.333(19) . ?
C65 H65 0.9500 . ?
C65 C66 1.370(17) . ?
C66 H66 0.9500 . ?
C67 C68 1.443(15) . ?
C68 C69 1.389(19) . ?
C68 C73 1.387(17) . ?
C69 H69 0.9500 . ?
C69 C70 1.40(2) . ?
C70 H70 0.9500 . ?
C70 C71 1.33(2) . ?
C71 H71 0.9500 . ?
C71 C72 1.35(2) . ?
C72 H72 0.9500 . ?
C72 C73 1.43(2) . ?
C73 C74 1.44(2) . ?
C74 H74 0.9500 . ?
C74 C75 1.318(19) . ?
C75 H75 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 N2 160.2(4) . . ?
N1 Pt1 C25 101.5(4) . . ?
C11 Pt1 N1 79.5(5) . . ?
C11 Pt1 N2 80.8(5) . . ?
C11 Pt1 C25 175.0(4) . . ?
C25 Pt1 N2 98.3(4) . . ?
N3 Pt2 N4 160.3(4) . . ?
C51 Pt2 N3 102.2(4) . . ?
C51 Pt2 N4 97.4(4) . . ?
C62 Pt2 N3 78.5(4) . . ?
C62 Pt2 N4 81.8(5) . . ?
C62 Pt2 C51 179.0(4) . . ?
C39 O1 C38 117.9(7) . . ?
C1 N1 Pt1 122.5(8) . . ?
C1 N1 C9 121.5(9) . . ?
C9 N1 Pt1 115.8(7) . . ?
C16 N2 Pt1 116.2(7) . . ?
C16 N2 C24 121.9(11) . . ?
C24 N2 Pt1 121.8(10) . . ?
C52 N3 Pt2 122.7(8) . . ?
C60 N3 Pt2 117.1(7) . . ?
C60 N3 C52 120.1(11) . . ?
C67 N4 Pt2 116.0(8) . . ?
C67 N4 C75 121.3(11) . . ?
C75 N4 Pt2 122.7(9) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 N1 122.2(12) . . ?
C2 C1 H1 118.9 . . ?
C1 C2 H2 120.4 . . ?
C1 C2 C3 119.2(13) . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 118.8(13) . . ?
C2 C3 C8 119.1(11) . . ?
C8 C3 C4 122.0(13) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 C3 118.8(15) . . ?
C5 C4 H4 120.6 . . ?
C4 C5 H5 120.7 . . ?
C4 C5 C6 118.6(13) . . ?
C6 C5 H5 120.7 . . ?
C5 C6 H6 118.6 . . ?
C7 C6 C5 122.7(15) . . ?
C7 C6 H6 118.6 . . ?
C6 C7 H7 120.4 . . ?
C6 C7 C8 119.3(14) . . ?
C8 C7 H7 120.4 . . ?
C3 C8 C7 117.8(11) . . ?
C3 C8 C9 120.5(11) . . ?
C7 C8 C9 121.6(11) . . ?
N1 C9 C8 117.1(10) . . ?
N1 C9 C10 113.7(9) . . ?
C8 C9 C10 129.0(10) . . ?
C11 C10 C9 110.9(11) . . ?
C15 C10 C9 131.3(10) . . ?
C15 C10 C11 117.8(12) . . ?
C10 C11 Pt1 119.9(10) . . ?
C10 C11 C12 120.7(11) . . ?
C12 C11 Pt1 119.3(8) . . ?
C11 C12 C16 110.1(9) . . ?
C13 C12 C11 119.2(11) . . ?
C13 C12 C16 130.6(11) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 C12 120.4(12) . . ?
C14 C13 H13 119.8 . . ?
C13 C14 H14 118.6 . . ?
C13 C14 C15 122.8(12) . . ?
C15 C14 H14 118.6 . . ?
C10 C15 C14 118.6(11) . . ?
C10 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
N2 C16 C12 113.0(9) . . ?
N2 C16 C17 120.6(10) . . ?
C17 C16 C12 126.4(11) . . ?
C18 C17 C16 126.2(12) . . ?
C18 C17 C22 116.5(11) . . ?
C22 C17 C16 117.0(11) . . ?
C17 C18 H18 118.2 . . ?
C17 C18 C19 123.5(14) . . ?
C19 C18 H18 118.2 . . ?
C18 C19 H19 120.4 . . ?
C20 C19 C18 119.1(16) . . ?
C20 C19 H19 120.4 . . ?
C19 C20 H20 118.6 . . ?
C19 C20 C21 122.7(14) . . ?
C21 C20 H20 118.6 . . ?
C20 C21 H21 120.6 . . ?
C20 C21 C22 118.8(15) . . ?
C22 C21 H21 120.6 . . ?
C17 C22 C21 119.0(13) . . ?
C23 C22 C17 119.1(10) . . ?
C23 C22 C21 121.8(13) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(12) . . ?
C24 C23 H23 119.7 . . ?
N2 C24 C23 120.4(13) . . ?
N2 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C26 C25 Pt1 171.8(10) . . ?
C25 C26 C27 171.5(10) . . ?
C26 C27 C28 122.3(11) . . ?
C26 C27 C39 122.6(9) . . ?
C39 C27 C28 115.1(10) . . ?
C27 C28 H28 118.8 . . ?
C29 C28 C27 122.4(11) . . ?
C29 C28 H28 118.8 . . ?
C28 C29 C40 117.9(11) . . ?
C30 C29 C28 118.7(10) . . ?
C30 C29 C40 123.4(10) . . ?
C29 C30 H30 118.9 . . ?
C29 C30 C31 122.3(10) . . ?
C31 C30 H30 118.9 . . ?
C30 C31 C32 119.6(9) . . ?
C39 C31 C30 119.5(10) . . ?
C39 C31 C32 120.7(9) . . ?
C33 C32 C31 108.8(8) . . ?
C33 C32 C45 108.1(8) . . ?
C44 C32 C31 110.7(8) . . ?
C44 C32 C33 109.2(8) . . ?
C44 C32 C45 110.6(9) . . ?
C45 C32 C31 109.3(9) . . ?
C34 C33 C32 119.3(9) . . ?
C38 C33 C32 122.7(9) . . ?
C38 C33 C34 117.9(9) . . ?
C33 C34 H34 118.6 . . ?
C35 C34 C33 122.8(10) . . ?
C35 C34 H34 118.6 . . ?
C34 C35 C46 120.5(10) . . ?
C36 C35 C34 115.9(10) . . ?
C36 C35 C46 123.4(10) . . ?
C35 C36 H36 117.9 . . ?
C35 C36 C37 124.1(9) . . ?
C37 C36 H36 117.9 . . ?
C38 C37 C36 116.4(9) . . ?
C38 C37 C50 122.2(9) . . ?
C50 C37 C36 121.3(9) . . ?
O1 C38 C37 113.6(8) . . ?
C33 C38 O1 123.6(9) . . ?
C33 C38 C37 122.8(9) . . ?
O1 C39 C27 112.7(8) . . ?
C31 C39 O1 125.2(9) . . ?
C31 C39 C27 122.0(9) . . ?
C41 C40 C29 113.1(16) . . ?
C41 C40 C42 113(2) . . ?
C41 C40 C43 113(2) . . ?
C41A C40 C29 107.6(15) . . ?
C41A C40 C42A 123(2) . . ?
C41A C40 C43A 106(2) . . ?
C42 C40 C29 105.4(18) . . ?
C42A C40 C29 107.3(17) . . ?
C43 C40 C29 111.3(13) . . ?
C43 C40 C42 100(2) . . ?
C43A C40 C29 109.0(17) . . ?
C43A C40 C42A 103(2) . . ?
C40 C41 H41A 109.2 . . ?
C40 C41 H41B 109.4 . . ?
C40 C41 H41C 109.9 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C41A H41D 110.3 . . ?
C40 C41A H41E 108.4 . . ?
C40 C41A H41F 109.6 . . ?
H41D C41A H41E 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
C40 C42 H42A 109.1 . . ?
C40 C42 H42B 109.3 . . ?
C40 C42 H42C 110.0 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C42A H42D 109.5 . . ?
C40 C42A H42E 109.8 . . ?
C40 C42A H42F 109.1 . . ?
H42D C42A H42E 109.5 . . ?
H42D C42A H42F 109.5 . . ?
H42E C42A H42F 109.5 . . ?
C40 C43 H43A 109.4 . . ?
C40 C43 H43B 109.2 . . ?
C40 C43 H43C 109.8 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C40 C43A H43D 109.9 . . ?
C40 C43A H43E 109.0 . . ?
C40 C43A H43F 109.5 . . ?
H43D C43A H43E 109.5 . . ?
H43D C43A H43F 109.5 . . ?
H43E C43A H43F 109.5 . . ?
C32 C44 H44A 109.5 . . ?
C32 C44 H44B 109.5 . . ?
C32 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C32 C45 H45A 109.5 . . ?
C32 C45 H45B 109.5 . . ?
C32 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C35 C46 C49 112.9(11) . . ?
C47 C46 C35 107.3(10) . . ?
C47 C46 C49 106.1(13) . . ?
C48 C46 C35 110.3(10) . . ?
C48 C46 C47 110.2(11) . . ?
C48 C46 C49 109.9(11) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C46 C49 H49A 109.5 . . ?
C46 C49 H49B 109.5 . . ?
C46 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C51 C50 C37 174.2(10) . . ?
C50 C51 Pt2 170.0(10) . . ?
N3 C52 H52 119.7 . . ?
N3 C52 C53 120.5(11) . . ?
C53 C52 H52 119.7 . . ?
C52 C53 H53 119.1 . . ?
C54 C53 C52 121.9(11) . . ?
C54 C53 H53 119.1 . . ?
C53 C54 C55 121.5(13) . . ?
C53 C54 C59 117.5(12) . . ?
C55 C54 C59 121.0(13) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 C54 121.4(13) . . ?
C56 C55 H55 119.3 . . ?
C55 C56 H56 120.0 . . ?
C55 C56 C57 119.9(13) . . ?
C57 C56 H56 120.0 . . ?
C56 C57 H57 119.6 . . ?
C56 C57 C58 120.8(15) . . ?
C58 C57 H57 119.6 . . ?
C57 C58 H58 119.5 . . ?
C57 C58 C59 121.1(14) . . ?
C59 C58 H58 119.5 . . ?
C58 C59 C54 115.6(12) . . ?
C58 C59 C60 125.4(11) . . ?
C60 C59 C54 118.9(11) . . ?
N3 C60 C59 120.7(10) . . ?
N3 C60 C61 112.7(10) . . ?
C59 C60 C61 126.6(10) . . ?
C62 C61 C60 108.7(10) . . ?
C62 C61 C66 121.1(11) . . ?
C66 C61 C60 129.8(12) . . ?
C61 C62 Pt2 122.9(9) . . ?
C61 C62 C63 120.0(10) . . ?
C63 C62 Pt2 117.1(8) . . ?
C62 C63 C67 110.3(10) . . ?
C64 C63 C62 116.6(11) . . ?
C64 C63 C67 132.5(12) . . ?
C63 C64 H64 120.9 . . ?
C65 C64 C63 118.3(11) . . ?
C65 C64 H64 120.9 . . ?
C64 C65 H65 117.3 . . ?
C64 C65 C66 125.5(11) . . ?
C66 C65 H65 117.3 . . ?
C61 C66 H66 121.0 . . ?
C65 C66 C61 117.9(12) . . ?
C65 C66 H66 121.0 . . ?
N4 C67 C63 114.7(10) . . ?
N4 C67 C68 121.1(11) . . ?
C68 C67 C63 124.3(10) . . ?
C69 C68 C67 126.8(12) . . ?
C73 C68 C67 116.7(11) . . ?
C73 C68 C69 116.5(12) . . ?
C68 C69 H69 118.9 . . ?
C68 C69 C70 122.2(15) . . ?
C70 C69 H69 118.9 . . ?
C69 C70 H70 120.3 . . ?
C71 C70 C69 119.3(17) . . ?
C71 C70 H70 120.3 . . ?
C70 C71 H71 119.3 . . ?
C70 C71 C72 121.4(16) . . ?
C72 C71 H71 119.3 . . ?
C71 C72 H72 119.9 . . ?
C71 C72 C73 120.1(16) . . ?
C73 C72 H72 119.9 . . ?
C68 C73 C72 120.0(13) . . ?
C68 C73 C74 118.9(11) . . ?
C72 C73 C74 121.0(13) . . ?
C73 C74 H74 120.5 . . ?
C75 C74 C73 118.9(13) . . ?
C75 C74 H74 120.5 . . ?
N4 C75 H75 118.6 . . ?
C74 C75 N4 122.9(14) . . ?
C74 C75 H75 118.6 . . ?

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
C8 C9 C10 C11 178.2(10) . . . . ?
C8 C9 C10 C15 -3(2) . . . . ?
C11 C10 C9 N1 4.0(13) . . . . ?
C11 C12 C16 N2 -7.6(13) . . . . ?
C11 C12 C16 C17 175.5(10) . . . . ?
C13 C12 C16 N2 169.9(12) . . . . ?
C13 C12 C16 C17 -7(2) . . . . ?
C15 C10 C9 N1 -177.2(12) . . . . ?
C27 C39 O1 C38 175.5(8) . . . . ?
C27 C39 C31 C30 -0.5(16) . . . . ?
C27 C39 C31 C32 175.1(9) . . . . ?
C28 C29 C40 C41 -3(2) . . . . ?
C28 C29 C40 C41A -60(2) . . . . ?
C28 C29 C40 C42 -127(2) . . . . ?
C28 C29 C40 C42A 166(2) . . . . ?
C28 C29 C40 C43 125.4(17) . . . . ?
C28 C29 C40 C43A 55(2) . . . . ?
C30 C29 C40 C41 177.9(19) . . . . ?
C30 C29 C40 C41A 121.1(19) . . . . ?
C30 C29 C40 C42 54(2) . . . . ?
C30 C29 C40 C42A -13(2) . . . . ?
C30 C29 C40 C43 -54(2) . . . . ?
C30 C29 C40 C43A -124(2) . . . . ?
C30 C31 C32 C33 -176.1(9) . . . . ?
C30 C31 C32 C44 -56.0(12) . . . . ?
C30 C31 C32 C45 66.1(12) . . . . ?
C30 C31 C39 O1 -177.8(9) . . . . ?
C31 C32 C33 C34 176.1(9) . . . . ?
C31 C32 C33 C38 -6.3(12) . . . . ?
C31 C39 O1 C38 -7.0(14) . . . . ?
C32 C31 C39 O1 -2.2(16) . . . . ?
C32 C33 C38 O1 -2.0(14) . . . . ?
C32 C33 C38 C37 -177.8(8) . . . . ?
C33 C32 C31 C39 8.3(13) . . . . ?
C33 C38 O1 C39 9.2(13) . . . . ?
C34 C33 C32 C44 55.1(12) . . . . ?
C34 C33 C32 C45 -65.3(12) . . . . ?
C34 C33 C38 O1 175.5(9) . . . . ?
C34 C33 C38 C37 -0.2(14) . . . . ?
C34 C35 C46 C47 -66.0(15) . . . . ?
C34 C35 C46 C48 54.1(15) . . . . ?
C34 C35 C46 C49 177.5(11) . . . . ?
C36 C35 C46 C47 119.6(13) . . . . ?
C36 C35 C46 C48 -120.4(12) . . . . ?
C36 C35 C46 C49 3.0(17) . . . . ?
C37 C38 O1 C39 -174.7(8) . . . . ?
C38 C33 C32 C44 -127.4(10) . . . . ?
C38 C33 C32 C45 112.3(11) . . . . ?
C39 C31 C32 C44 128.3(10) . . . . ?
C39 C31 C32 C45 -109.5(11) . . . . ?
C59 C60 C61 C62 -178.4(10) . . . . ?
C59 C60 C61 C66 9.0(19) . . . . ?
C62 C61 C60 N3 1.9(13) . . . . ?
C62 C63 C67 N4 -5.3(13) . . . . ?
C62 C63 C67 C68 175.3(10) . . . . ?
C64 C63 C67 N4 165.3(12) . . . . ?
C64 C63 C67 C68 -14.0(19) . . . . ?
C66 C61 C60 N3 -170.6(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

# start Validation Reply Form
_vrf_PLAT410_3b_18srv388         
;
PROBLEM: Short Intra H...H Contact  H7       ..H15      .       1.79 Ang.  
RESPONSE: The hydrogen atoms in question belong to sterically overcrowded
tridentate planar ligand and were placed into calculated positions using
AFIX 43 card of SHELX. Most probably the aromatic cycles of the ligand are not
exactly coplanar and/or H atoms H7 and H15 are not exactly in the plane of the 
rings but the accuracy of present X-ray experimental data does not allow to 
resolve the uncertainty. Keeping in mind that this minor inperfection in the 
H-atom positions does not affect the main finding of the study, resolving of the 
issue was deemed to be unnecessary.
;
####################################################################### 
# 
# 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_1b_18srv333
_database_code_depnum_ccdc_archive 'CCDC 2063391'
loop_
_audit_author_name
_audit_author_address
'Dmitry Yufit'
;Durham University
United Kingdom
;
_audit_update_record             
;
2021-02-17 deposited with the CCDC.	2023-10-16 downloaded from the CCDC.
;
_audit_creation_date             2021-02-17
_audit_creation_method           
;
Olex2 1.3-beta
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6257)
;
_shelx_SHELXL_version_number     2017/1

loop_
_audit_author_email
d.s.yufit@durham.ac.uk
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C59 H50 N4 O Pt2, C H Cl3'
_chemical_formula_sum            'C60 H51 Cl3 N4 O Pt2'
_chemical_formula_weight         1340.57
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   11.1103(8)
_cell_length_b                   26.454(2)
_cell_length_c                   36.437(3)
_cell_angle_alpha                90
_cell_angle_beta                 96.037(3)
_cell_angle_gamma                90
_cell_volume                     10649.9(14)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9701
_cell_measurement_temperature    120.0
_cell_measurement_theta_max      26.88
_cell_measurement_theta_min      2.38
_shelx_estimated_absorpt_T_max   0.640
_shelx_estimated_absorpt_T_min   0.381
_exptl_absorpt_coefficient_mu    5.444
_exptl_absorpt_correction_T_max  0.9959
_exptl_absorpt_correction_T_min  0.6440
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0823 before and 0.0620 after correction.
The Ratio of minimum to maximum transmission is 0.6467.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             5232
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0752
_diffrn_reflns_av_unetI/netI     0.0932
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            151553
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.999
_diffrn_reflns_theta_min         1.998
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS sensor'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '3-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19302
_reflns_number_total             28121
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_collection       'APEX3 v.2017.3_0 (Bruker AXS, 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'XS  (Sheldrick, 2008)'
_refine_diff_density_max         4.663
_refine_diff_density_min         -3.448
_refine_diff_density_rms         0.268
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1277
_refine_ls_number_reflns         28121
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.1282
_refine_ls_R_factor_gt           0.0841
_refine_ls_restrained_S_all      1.132
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+360.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1650
_refine_ls_wR_factor_ref         0.1791
_refine_special_details          SQUEEZE
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C47A) \\sim Ueq, Uanis(C4A) \\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C56A)
\\sim Ueq, Uanis(C29A) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C29) \\sim Ueq,
Uanis(C10A) \\sim Ueq, Uanis(C57) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
Uanis(C37A) \\sim Ueq, Uanis(C36A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
3.a Ternary CH refined with riding coordinates:
 C1S(H1S), C2S(H2S)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C15(H15), C16(H16), C20(H20), C22(H22), C26(H26), C28(H28), C44(H44),
  C45(H45), C46(H46), C47(H47), C52(H52), C53(H53), C54(H54), C56(H56),
 C57(H57), C58(H58), C59(H59), C1A(H1A), C2A(H2A), C3A(H3A), C4A(H4A), C9A(H9A),
  C10A(H10A), C11A(H11A), C13A(H13A), C14A(H14A), C15A(H15A), C16A(H16A),
 C20A(H20A), C22A(H22A), C26A(H26A), C28A(H28A), C44A(H44A), C45A(H45A),
 C46A(H46A), C47A(H47A), C52A(H52A), C53A(H53A), C54A(H54A), C56A(H56A),
 C57A(H57A), C58A(H58A), C59A(H59A)
3.c Idealised Me refined as rotating group:
 C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,
 H36C), C37(H37A,H37B,H37C), C39(H39A,H39B,H39C), C40(H40A,H40B,H40C), C41(H41A,
 H41B,H41C), C33A(H33D,H33E,H33F), C34A(H34D,H34E,H34F), C35A(H35D,H35E,H35F),
 C36A(H36D,H36E,H36F), C37A(H37D,H37E,H37F), C39A(H39D,H39E,H39F), C40A(H40D,
 H40E,H40F), C41A(H41D,H41E,H41F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.16912(4) 0.24427(2) 0.83581(2) 0.01884(10) Uani 1 1 d . . . . .
Pt2 Pt -0.07487(4) 0.37326(2) 0.78197(2) 0.02026(10) Uani 1 1 d . . . . .
O1 O 0.3174(7) 0.4265(3) 0.8742(2) 0.0210(17) Uani 1 1 d . . . . .
N1 N 0.1328(9) 0.1958(4) 0.8769(3) 0.020(2) Uani 1 1 d . . . . .
N2 N 0.1588(8) 0.2769(4) 0.7849(3) 0.021(2) Uani 1 1 d . . . . .
N3 N -0.0985(9) 0.3206(3) 0.8217(3) 0.022(2) Uani 1 1 d . . . . .
N4 N -0.0937(9) 0.4090(4) 0.7324(3) 0.028(2) Uani 1 1 d . . . . .
C1 C 0.1699(12) 0.2022(5) 0.9126(3) 0.028(3) Uani 1 1 d . . . . .
H1 H 0.227849 0.227672 0.919848 0.034 Uiso 1 1 calc R U . . .
C2 C 0.1257(15) 0.1725(6) 0.9393(4) 0.041(4) Uani 1 1 d . . . . .
H2 H 0.151125 0.178481 0.964684 0.050 Uiso 1 1 calc R U . . .
C3 C 0.0452(14) 0.1345(5) 0.9293(4) 0.038(3) Uani 1 1 d . . . . .
H3 H 0.012816 0.114717 0.947632 0.046 Uiso 1 1 calc R U . . .
C4 C 0.0111(11) 0.1250(5) 0.8921(4) 0.027(3) Uani 1 1 d . . . . .
H4 H -0.040129 0.097232 0.884693 0.032 Uiso 1 1 calc R U . . .
C5 C 0.0537(11) 0.1571(4) 0.8658(3) 0.026(3) Uani 1 1 d . . . . .
C6 C 0.0186(10) 0.1560(4) 0.8260(3) 0.023(2) Uani 1 1 d . . . . .
C7 C 0.0650(10) 0.1961(4) 0.8077(3) 0.020(2) Uani 1 1 d . . . . .
C8 C 0.0330(10) 0.2053(4) 0.7707(3) 0.020(2) Uani 1 1 d . . . . .
C9 C -0.0475(12) 0.1729(6) 0.7509(4) 0.035(3) Uani 1 1 d . . . . .
H9 H -0.071224 0.179225 0.725498 0.042 Uiso 1 1 calc R U . . .
C10 C -0.0939(14) 0.1312(6) 0.7678(4) 0.045(4) Uani 1 1 d . . . . .
H10 H -0.148500 0.108608 0.754353 0.054 Uiso 1 1 calc R U . . .
C11 C -0.0572(11) 0.1234(5) 0.8058(4) 0.034(3) Uani 1 1 d . . . . .
H11 H -0.086191 0.094564 0.817583 0.041 Uiso 1 1 calc R U . . .
C12 C 0.0901(11) 0.2512(5) 0.7579(3) 0.025(3) Uani 1 1 d . . . . .
C13 C 0.0699(12) 0.2675(6) 0.7208(4) 0.035(3) Uani 1 1 d . . . . .
H13 H 0.020068 0.249706 0.702321 0.042 Uiso 1 1 calc R U . . .
C14 C 0.1330(13) 0.3142(6) 0.7137(4) 0.039(4) Uani 1 1 d . . . . .
H14 H 0.126360 0.327297 0.689236 0.047 Uiso 1 1 calc R U . . .
C15 C 0.2024(13) 0.3402(6) 0.7413(4) 0.037(3) Uani 1 1 d . . . . .
H15 H 0.240122 0.371244 0.736073 0.044 Uiso 1 1 calc R U . . .
C16 C 0.2162(11) 0.3202(4) 0.7769(4) 0.025(3) Uani 1 1 d . . . . .
H16 H 0.266410 0.337098 0.795746 0.030 Uiso 1 1 calc R U . . .
C17 C 0.2811(10) 0.2948(4) 0.8656(3) 0.020(2) Uani 1 1 d . . . . .
C18 C 0.3462(11) 0.3247(4) 0.8831(3) 0.023(2) Uani 1 1 d . . . . .
C19 C 0.4250(11) 0.3579(4) 0.9043(3) 0.023(2) Uani 1 1 d . U . . .
C20 C 0.5175(10) 0.3411(4) 0.9290(3) 0.020(2) Uani 1 1 d . . . . .
H20 H 0.528364 0.305676 0.932085 0.024 Uiso 1 1 calc R U . . .
C21 C 0.5978(10) 0.3740(5) 0.9501(3) 0.023(2) Uani 1 1 d . . . . .
C22 C 0.5814(11) 0.4259(5) 0.9443(3) 0.027(3) Uani 1 1 d . . . . .
H22 H 0.634896 0.448747 0.957901 0.032 Uiso 1 1 calc R U . . .
C23 C 0.4894(10) 0.4452(5) 0.9193(3) 0.023(2) Uani 1 1 d . . . . .
C24 C 0.4756(14) 0.5028(5) 0.9136(4) 0.036(3) Uani 1 1 d . . . . .
C25 C 0.3563(12) 0.5137(4) 0.8915(3) 0.023(3) Uani 1 1 d . . . . .
C26 C 0.3138(12) 0.5633(4) 0.8879(4) 0.028(3) Uani 1 1 d . . . . .
H26 H 0.360492 0.589425 0.900328 0.034 Uiso 1 1 calc R U . . .
C27 C 0.2063(12) 0.5763(4) 0.8669(3) 0.028(3) Uani 1 1 d . . . . .
C28 C 0.1417(11) 0.5388(4) 0.8477(3) 0.023(3) Uani 1 1 d . . . . .
H28 H 0.071055 0.547425 0.831981 0.028 Uiso 1 1 calc R U . . .
C29 C 0.1783(10) 0.4873(4) 0.8509(3) 0.016(2) Uani 1 1 d . U . . .
C30 C 0.2852(10) 0.4771(4) 0.8729(3) 0.019(2) Uani 1 1 d . . . . .
C31 C 0.4106(10) 0.4115(4) 0.8994(3) 0.021(2) Uani 1 1 d . . . . .
C32 C 0.6962(12) 0.3511(5) 0.9780(3) 0.029(3) Uani 1 1 d . . . . .
C33 C 0.6367(14) 0.3196(5) 1.0061(4) 0.039(3) Uani 1 1 d . . . . .
H33A H 0.590463 0.341858 1.020994 0.059 Uiso 1 1 calc R U . . .
H33B H 0.699204 0.302010 1.022292 0.059 Uiso 1 1 calc R U . . .
H33C H 0.582063 0.294805 0.993238 0.059 Uiso 1 1 calc R U . . .
C34 C 0.7765(12) 0.3919(5) 0.9971(4) 0.036(3) Uani 1 1 d . . . . .
H34A H 0.810588 0.412768 0.978596 0.054 Uiso 1 1 calc R U . . .
H34B H 0.842324 0.375944 1.013105 0.054 Uiso 1 1 calc R U . . .
H34C H 0.728325 0.413082 1.012107 0.054 Uiso 1 1 calc R U . . .
C35 C 0.7764(12) 0.3154(6) 0.9579(4) 0.045(4) Uani 1 1 d . . . . .
H35A H 0.726967 0.287692 0.946543 0.068 Uiso 1 1 calc R U . . .
H35B H 0.840408 0.301511 0.975580 0.068 Uiso 1 1 calc R U . . .
H35C H 0.812929 0.334122 0.938657 0.068 Uiso 1 1 calc R U . . .
C36 C 0.4856(18) 0.5293(6) 0.9509(5) 0.064(6) Uani 1 1 d . . . . .
H36A H 0.481571 0.565999 0.947083 0.096 Uiso 1 1 calc R U . . .
H36B H 0.562854 0.520533 0.964918 0.096 Uiso 1 1 calc R U . . .
H36C H 0.418787 0.518597 0.964619 0.096 Uiso 1 1 calc R U . . .
C37 C 0.5782(16) 0.5200(6) 0.8900(6) 0.060(5) Uani 1 1 d . . . . .
H37A H 0.566395 0.503859 0.865717 0.090 Uiso 1 1 calc R U . . .
H37B H 0.657070 0.510136 0.902570 0.090 Uiso 1 1 calc R U . . .
H37C H 0.575341 0.556818 0.887059 0.090 Uiso 1 1 calc R U . . .
C38 C 0.1674(14) 0.6323(5) 0.8639(4) 0.036(3) Uani 1 1 d . . . . .
C39 C 0.1765(19) 0.6564(6) 0.9027(4) 0.065(6) Uani 1 1 d . . . . .
H39A H 0.130064 0.636187 0.918761 0.097 Uiso 1 1 calc R U . . .
H39B H 0.143769 0.690856 0.900861 0.097 Uiso 1 1 calc R U . . .
H39C H 0.261524 0.657593 0.913053 0.097 Uiso 1 1 calc R U . . .
C40 C 0.2510(14) 0.6599(6) 0.8395(5) 0.051(5) Uani 1 1 d . . . . .
H40A H 0.334984 0.657345 0.850671 0.077 Uiso 1 1 calc R U . . .
H40B H 0.227684 0.695620 0.837322 0.077 Uiso 1 1 calc R U . . .
H40C H 0.243830 0.644456 0.814923 0.077 Uiso 1 1 calc R U . . .
C41 C 0.0356(15) 0.6383(5) 0.8473(4) 0.044(4) Uani 1 1 d . . . . .
H41A H 0.027863 0.627446 0.821419 0.065 Uiso 1 1 calc R U . . .
H41B H 0.011505 0.673808 0.848668 0.065 Uiso 1 1 calc R U . . .
H41C H -0.016751 0.617406 0.861133 0.065 Uiso 1 1 calc R U . . .
C42 C 0.1072(11) 0.4500(4) 0.8303(3) 0.023(2) Uani 1 1 d . . . . .
C43 C 0.0420(11) 0.4220(4) 0.8123(3) 0.021(2) Uani 1 1 d . . . . .
C44 C -0.0462(12) 0.3230(5) 0.8565(3) 0.029(3) Uani 1 1 d . . . . .
H44 H 0.008232 0.349681 0.863825 0.034 Uiso 1 1 calc R U . . .
C45 C -0.0717(13) 0.2859(5) 0.8820(4) 0.033(3) Uani 1 1 d . . . . .
H45 H -0.034678 0.287758 0.906717 0.040 Uiso 1 1 calc R U . . .
C46 C -0.1483(12) 0.2478(5) 0.8720(4) 0.032(3) Uani 1 1 d . . . . .
H46 H -0.166272 0.223160 0.889514 0.038 Uiso 1 1 calc R U . . .
C47 C -0.2017(12) 0.2448(5) 0.8351(4) 0.032(3) Uani 1 1 d . . . . .
H47 H -0.255061 0.217826 0.827366 0.039 Uiso 1 1 calc R U . . .
C48 C -0.1746(10) 0.2819(4) 0.8103(4) 0.023(2) Uani 1 1 d . . . . .
C49 C -0.2259(10) 0.2843(5) 0.7719(4) 0.027(3) Uani 1 1 d . . . . .
C50 C -0.1883(10) 0.3268(4) 0.7544(3) 0.023(3) Uani 1 1 d . . . . .
C51 C -0.2239(11) 0.3386(5) 0.7172(4) 0.029(3) Uani 1 1 d . . . . .
C52 C -0.3078(11) 0.3067(5) 0.6980(4) 0.032(3) Uani 1 1 d . . . . .
H52 H -0.338307 0.313767 0.673168 0.038 Uiso 1 1 calc R U . . .
C53 C -0.3453(14) 0.2647(5) 0.7157(4) 0.041(4) Uani 1 1 d . . . . .
H53 H -0.400955 0.242558 0.702275 0.049 Uiso 1 1 calc R U . . .
C54 C -0.3066(12) 0.2524(6) 0.7527(4) 0.038(3) Uani 1 1 d . . . . .
H54 H -0.335504 0.223065 0.763896 0.045 Uiso 1 1 calc R U . . .
C55 C -0.1715(10) 0.3861(5) 0.7055(3) 0.025(3) Uani 1 1 d . . . . .
C56 C -0.1883(13) 0.4037(5) 0.6697(4) 0.036(3) Uani 1 1 d . U . . .
H56 H -0.234975 0.385443 0.650739 0.043 Uiso 1 1 calc R U . . .
C57 C -0.1308(13) 0.4517(5) 0.6623(4) 0.037(3) Uani 1 1 d . U . . .
H57 H -0.144950 0.466919 0.638601 0.045 Uiso 1 1 calc R U . . .
C58 C -0.0577(13) 0.4742(6) 0.6891(4) 0.042(4) Uani 1 1 d . . . . .
H58 H -0.018118 0.504953 0.684317 0.050 Uiso 1 1 calc R U . . .
C59 C -0.0401(11) 0.4519(5) 0.7243(4) 0.029(3) Uani 1 1 d . . . . .
H59 H 0.012189 0.468103 0.743011 0.034 Uiso 1 1 calc R U . . .
Pt1A Pt 0.32834(4) 0.58048(2) 0.66327(2) 0.01799(10) Uani 1 1 d . . . . .
Pt2A Pt 0.56229(4) 0.44956(2) 0.71230(2) 0.02120(10) Uani 1 1 d . . . . .
O1A O 0.1600(7) 0.3977(3) 0.6248(2) 0.0259(19) Uani 1 1 d . . . . .
N1A N 0.3354(9) 0.5470(4) 0.7141(3) 0.023(2) Uani 1 1 d . . . . .
N2A N 0.3655(9) 0.6296(3) 0.6231(3) 0.022(2) Uani 1 1 d . . . . .
N3A N 0.5786(9) 0.4130(4) 0.7624(3) 0.026(2) Uani 1 1 d . . . . .
N4A N 0.5885(10) 0.5015(4) 0.6728(3) 0.030(2) Uani 1 1 d . . . . .
C1A C 0.2814(12) 0.5046(5) 0.7220(3) 0.028(3) Uani 1 1 d . . . . .
H1A H 0.235138 0.486936 0.702704 0.034 Uiso 1 1 calc R U . . .
C2A C 0.2895(12) 0.4850(5) 0.7571(4) 0.033(3) Uani 1 1 d . . . . .
H2A H 0.244175 0.455984 0.762408 0.039 Uiso 1 1 calc R U . . .
C3A C 0.3652(12) 0.5086(6) 0.7845(4) 0.038(3) Uani 1 1 d . . . . .
H3A H 0.378899 0.494125 0.808418 0.046 Uiso 1 1 calc R U . . .
C4A C 0.4199(11) 0.5529(5) 0.7766(3) 0.026(3) Uani 1 1 d . U . . .
H4A H 0.466471 0.570880 0.795666 0.031 Uiso 1 1 calc R U . . .
C5A C 0.4081(11) 0.5718(5) 0.7413(3) 0.023(2) Uani 1 1 d . . . . .
C6A C 0.4651(10) 0.6188(5) 0.7289(3) 0.023(3) Uani 1 1 d . . . . .
C7A C 0.4331(10) 0.6284(4) 0.6917(3) 0.021(2) Uani 1 1 d . . . . .
C8A C 0.4817(11) 0.6683(4) 0.6738(3) 0.023(2) Uani 1 1 d . . . . .
C9A C 0.5603(10) 0.7022(4) 0.6933(3) 0.021(2) Uani 1 1 d . . . . .
H9A H 0.591912 0.730583 0.681600 0.025 Uiso 1 1 calc R U . . .
C10A C 0.5905(11) 0.6926(5) 0.7306(3) 0.025(3) Uani 1 1 d . U . . .
H10A H 0.645095 0.715026 0.744233 0.030 Uiso 1 1 calc R U . . .
C11A C 0.5447(11) 0.6517(5) 0.7492(3) 0.028(3) Uani 1 1 d . . . . .
H11A H 0.567166 0.646465 0.774756 0.034 Uiso 1 1 calc R U . . .
C12A C 0.4439(11) 0.6677(4) 0.6340(3) 0.023(2) Uani 1 1 d . . . . .
C13A C 0.4825(13) 0.7013(5) 0.6083(4) 0.034(3) Uani 1 1 d . . . . .
H13A H 0.536043 0.728094 0.616125 0.041 Uiso 1 1 calc R U . . .
C14A C 0.4425(13) 0.6954(5) 0.5713(4) 0.036(3) Uani 1 1 d . . . . .
H14A H 0.469424 0.717753 0.553450 0.043 Uiso 1 1 calc R U . . .
C15A C 0.3637(15) 0.6570(5) 0.5604(4) 0.038(4) Uani 1 1 d . . . . .
H15A H 0.335280 0.652542 0.535124 0.046 Uiso 1 1 calc R U . . .
C16A C 0.3261(12) 0.6247(5) 0.5870(3) 0.028(3) Uani 1 1 d . . . . .
H16A H 0.270809 0.598293 0.579495 0.034 Uiso 1 1 calc R U . . .
C17A C 0.2158(10) 0.5297(4) 0.6332(3) 0.018(2) Uani 1 1 d . . . . .
C18A C 0.1469(10) 0.5015(4) 0.6167(3) 0.019(2) Uani 1 1 d . . . . .
C19A C 0.0612(10) 0.4676(4) 0.5960(3) 0.018(2) Uani 1 1 d . . . . .
C20A C -0.0338(10) 0.4874(5) 0.5717(3) 0.023(2) Uani 1 1 d . . . . .
H20A H -0.040969 0.523116 0.569537 0.028 Uiso 1 1 calc R U . . .
C21A C -0.1172(11) 0.4578(4) 0.5508(3) 0.022(2) Uani 1 1 d . . . . .
C22A C -0.1000(11) 0.4051(4) 0.5551(3) 0.025(3) Uani 1 1 d . . . . .
H22A H -0.154193 0.383210 0.540760 0.030 Uiso 1 1 calc R U . . .
C23A C -0.0092(11) 0.3836(4) 0.5787(4) 0.027(3) Uani 1 1 d . . . . .
C24A C 0.0028(11) 0.3267(4) 0.5844(4) 0.036(4) Uani 1 1 d . . . . .
C25A C 0.1283(10) 0.3131(4) 0.6010(3) 0.021(2) Uani 1 1 d . . . . .
C26A C 0.1752(10) 0.2638(4) 0.5994(3) 0.024(3) Uani 1 1 d . . . . .
H26A H 0.129251 0.239302 0.584861 0.028 Uiso 1 1 calc R U . . .
C27A C 0.2839(11) 0.2494(4) 0.6177(3) 0.024(3) Uani 1 1 d . . . . .
C28A C 0.3493(11) 0.2866(4) 0.6387(3) 0.023(2) Uani 1 1 d . . . . .
H28A H 0.425028 0.277717 0.651623 0.028 Uiso 1 1 calc R U . . .
C29A C 0.3083(10) 0.3359(4) 0.6413(3) 0.021(2) Uani 1 1 d . U . . .
C30A C 0.1967(10) 0.3492(4) 0.6217(3) 0.018(2) Uani 1 1 d . . . . .
C31A C 0.0711(10) 0.4149(4) 0.5994(3) 0.022(2) Uani 1 1 d . . . . .
C32A C -0.2179(12) 0.4781(5) 0.5232(4) 0.031(3) Uani 1 1 d . . . . .
C33A C -0.3374(12) 0.4559(6) 0.5327(5) 0.050(4) Uani 1 1 d . . . . .
H33D H -0.338029 0.419374 0.528219 0.074 Uiso 1 1 calc R U . . .
H33E H -0.404521 0.471710 0.517215 0.074 Uiso 1 1 calc R U . . .
H33F H -0.346457 0.462370 0.558739 0.074 Uiso 1 1 calc R U . . .
C34A C -0.1939(14) 0.4625(6) 0.4853(4) 0.041(4) Uani 1 1 d . . . . .
H34D H -0.112789 0.473702 0.480666 0.062 Uiso 1 1 calc R U . . .
H34E H -0.254220 0.477884 0.467152 0.062 Uiso 1 1 calc R U . . .
H34F H -0.198800 0.425586 0.483244 0.062 Uiso 1 1 calc R U . . .
C35A C -0.2287(16) 0.5352(5) 0.5264(5) 0.058(5) Uani 1 1 d . . . . .
H35D H -0.226445 0.544647 0.552457 0.086 Uiso 1 1 calc R U . . .
H35E H -0.305439 0.546365 0.513131 0.086 Uiso 1 1 calc R U . . .
H35F H -0.161265 0.551384 0.515631 0.086 Uiso 1 1 calc R U . . .
C36A C -0.0877(13) 0.3099(6) 0.6120(5) 0.052(4) Uani 1 1 d . U . . .
H36D H -0.073495 0.329854 0.634702 0.078 Uiso 1 1 calc R U . . .
H36E H -0.075549 0.273980 0.617814 0.078 Uiso 1 1 calc R U . . .
H36F H -0.170781 0.315309 0.600804 0.078 Uiso 1 1 calc R U . . .
C37A C -0.0345(17) 0.2972(6) 0.5494(5) 0.070(6) Uani 1 1 d . U . . .
H37D H -0.118881 0.305055 0.540616 0.106 Uiso 1 1 calc R U . . .
H37E H -0.026457 0.260958 0.554470 0.106 Uiso 1 1 calc R U . . .
H37F H 0.017703 0.306669 0.530424 0.106 Uiso 1 1 calc R U . . .
C38A C 0.3355(12) 0.1968(5) 0.6134(4) 0.031(3) Uani 1 1 d . . . . .
C39A C 0.2496(13) 0.1617(4) 0.5913(4) 0.038(3) Uani 1 1 d . . . . .
H39D H 0.232514 0.174655 0.566106 0.057 Uiso 1 1 calc R U . . .
H39E H 0.173947 0.159409 0.602843 0.057 Uiso 1 1 calc R U . . .
H39F H 0.286191 0.128025 0.590586 0.057 Uiso 1 1 calc R U . . .
C40A C 0.4555(12) 0.1997(6) 0.5958(4) 0.041(4) Uani 1 1 d . . . . .
H40D H 0.440549 0.213843 0.570936 0.062 Uiso 1 1 calc R U . . .
H40E H 0.489700 0.165649 0.594480 0.062 Uiso 1 1 calc R U . . .
H40F H 0.512545 0.221306 0.610968 0.062 Uiso 1 1 calc R U . . .
C41A C 0.3628(17) 0.1737(6) 0.6523(4) 0.053(5) Uani 1 1 d . . . . .
H41D H 0.393381 0.139191 0.650222 0.080 Uiso 1 1 calc R U . . .
H41E H 0.288434 0.172998 0.664573 0.080 Uiso 1 1 calc R U . . .
H41F H 0.423825 0.194294 0.666795 0.080 Uiso 1 1 calc R U . . .
C42A C 0.3827(10) 0.3726(4) 0.6635(3) 0.019(2) Uani 1 1 d . . . . .
C43A C 0.4462(11) 0.4006(5) 0.6815(3) 0.024(3) Uani 1 1 d . . . . .
C44A C 0.5257(12) 0.3691(5) 0.7693(4) 0.034(3) Uani 1 1 d . . . . .
H44A H 0.477258 0.352336 0.750006 0.041 Uiso 1 1 calc R U . . .
C45A C 0.5405(15) 0.3478(6) 0.8044(5) 0.053(5) Uani 1 1 d . . . . .
H45A H 0.502049 0.317000 0.809780 0.063 Uiso 1 1 calc R U . . .
C46A C 0.6175(15) 0.3750(8) 0.8322(4) 0.057(5) Uani 1 1 d . . . . .
H46A H 0.625702 0.361579 0.856524 0.068 Uiso 1 1 calc R U . . .
C47A C 0.6761(15) 0.4160(6) 0.8266(4) 0.043(4) Uani 1 1 d . U . . .
H47A H 0.731679 0.430836 0.845084 0.052 Uiso 1 1 calc R U . . .
C48A C 0.6513(11) 0.4380(5) 0.7899(4) 0.030(3) Uani 1 1 d . . . . .
C49A C 0.7034(11) 0.4855(5) 0.7778(4) 0.035(3) Uani 1 1 d . . . . .
C50A C 0.6696(11) 0.4955(5) 0.7406(4) 0.031(3) Uani 1 1 d . . . . .
C51A C 0.7080(11) 0.5384(4) 0.7233(4) 0.031(3) Uani 1 1 d . . . . .
C52A C 0.7845(15) 0.5728(6) 0.7431(6) 0.059(5) Uani 1 1 d . . . . .
H52A H 0.812720 0.602122 0.731643 0.071 Uiso 1 1 calc R U . . .
C53A C 0.8181(17) 0.5627(6) 0.7800(6) 0.067(6) Uani 1 1 d . . . . .
H53A H 0.870394 0.585755 0.793790 0.080 Uiso 1 1 calc R U . . .
C54A C 0.7775(14) 0.5189(7) 0.7984(5) 0.059(5) Uani 1 1 d . . . . .
H54A H 0.800821 0.513119 0.823931 0.071 Uiso 1 1 calc R U . . .
C55A C 0.6633(13) 0.5409(5) 0.6844(4) 0.039(3) Uani 1 1 d . . . . .
C56A C 0.6916(14) 0.5779(6) 0.6578(4) 0.044(4) Uani 1 1 d . U . . .
H56A H 0.743267 0.605549 0.665032 0.052 Uiso 1 1 calc R U . . .
C57A C 0.6442(17) 0.5728(7) 0.6230(5) 0.063(6) Uani 1 1 d . . . . .
H57A H 0.665272 0.596582 0.605165 0.076 Uiso 1 1 calc R U . . .
C58A C 0.5643(13) 0.5337(6) 0.6116(5) 0.044(4) Uani 1 1 d . . . . .
H58A H 0.529284 0.531010 0.586794 0.052 Uiso 1 1 calc R U . . .
C59A C 0.5391(15) 0.5000(6) 0.6373(4) 0.044(4) Uani 1 1 d . . . . .
H59A H 0.483474 0.473635 0.630169 0.053 Uiso 1 1 calc R U . . .
Cl1 Cl 0.3165(3) 0.38723(14) 0.99592(11) 0.0445(9) Uani 1 1 d . . . . .
Cl2 Cl 0.3056(4) 0.27851(15) 0.98891(11) 0.0485(10) Uani 1 1 d . . . . .
Cl3 Cl 0.0871(4) 0.3367(2) 0.97868(14) 0.0663(13) Uani 1 1 d . . . . .
C1S C 0.2390(14) 0.3366(6) 0.9731(4) 0.042(4) Uani 1 1 d . . . . .
H1S H 0.247456 0.339758 0.946150 0.051 Uiso 1 1 calc R U . . .
Cl4 Cl 0.3744(5) 0.41198(17) 0.56667(12) 0.0599(12) Uani 1 1 d . . . . .
Cl5 Cl 0.5698(4) 0.3414(2) 0.58238(17) 0.0842(18) Uani 1 1 d . . . . .
Cl6 Cl 0.4211(6) 0.3382(2) 0.51233(14) 0.0812(16) Uani 1 1 d . . . . .
C2S C 0.4240(14) 0.3505(5) 0.5591(4) 0.043(4) Uani 1 1 d . . . . .
H2S H 0.367365 0.326369 0.569582 0.052 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 2.043(9) . ?
Pt1 N2 2.038(10) . ?
Pt1 C7 1.941(11) . ?
Pt1 C17 2.055(11) . ?
Pt2 N3 2.046(10) . ?
Pt2 N4 2.029(11) . ?
Pt2 C43 2.067(11) . ?
Pt2 C50 1.960(11) . ?
O1 C30 1.387(13) . ?
O1 C31 1.368(13) . ?
N1 C1 1.336(15) . ?
N1 C5 1.382(15) . ?
N2 C12 1.359(15) . ?
N2 C16 1.359(14) . ?
N3 C44 1.339(15) . ?
N3 C48 1.364(15) . ?
N4 C55 1.376(15) . ?
N4 C59 1.329(16) . ?
C1 H1 0.9500 . ?
C1 C2 1.379(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.37(2) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(18) . ?
C4 H4 0.9500 . ?
C4 C5 1.399(17) . ?
C5 C6 1.463(17) . ?
C6 C7 1.380(17) . ?
C6 C11 1.365(16) . ?
C7 C8 1.378(16) . ?
C8 C9 1.387(17) . ?
C8 C12 1.468(17) . ?
C9 H9 0.9500 . ?
C9 C10 1.39(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.415(19) . ?
C11 H11 0.9500 . ?
C12 C13 1.415(17) . ?
C13 H13 0.9500 . ?
C13 C14 1.46(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.38(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.393(17) . ?
C16 H16 0.9500 . ?
C17 C18 1.209(16) . ?
C18 C19 1.413(16) . ?
C19 C20 1.366(16) . ?
C19 C31 1.435(16) . ?
C20 H20 0.9500 . ?
C20 C21 1.413(16) . ?
C21 C22 1.398(17) . ?
C21 C32 1.536(16) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(16) . ?
C23 C24 1.542(17) . ?
C23 C31 1.398(16) . ?
C24 C25 1.505(18) . ?
C24 C36 1.522(19) . ?
C24 C37 1.57(2) . ?
C25 C26 1.396(15) . ?
C25 C30 1.382(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.391(17) . ?
C27 C28 1.373(16) . ?
C27 C38 1.544(16) . ?
C28 H28 0.9500 . ?
C28 C29 1.423(15) . ?
C29 C30 1.388(15) . ?
C29 C42 1.426(15) . ?
C32 C33 1.53(2) . ?
C32 C34 1.521(17) . ?
C32 C35 1.537(18) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.54(2) . ?
C38 C40 1.54(2) . ?
C38 C41 1.53(2) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.184(16) . ?
C44 H44 0.9500 . ?
C44 C45 1.401(18) . ?
C45 H45 0.9500 . ?
C45 C46 1.344(19) . ?
C46 H46 0.9500 . ?
C46 C47 1.414(19) . ?
C47 H47 0.9500 . ?
C47 C48 1.389(17) . ?
C48 C49 1.458(18) . ?
C49 C50 1.380(17) . ?
C49 C54 1.367(17) . ?
C50 C51 1.406(17) . ?
C51 C52 1.390(17) . ?
C51 C55 1.467(18) . ?
C52 H52 0.9500 . ?
C52 C53 1.37(2) . ?
C53 H53 0.9500 . ?
C53 C54 1.41(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.382(18) . ?
C56 H56 0.9500 . ?
C56 C57 1.46(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.34(2) . ?
C58 H58 0.9500 . ?
C58 C59 1.407(18) . ?
C59 H59 0.9500 . ?
Pt1A N1A 2.045(10) . ?
Pt1A N2A 2.033(9) . ?
Pt1A C7A 1.944(11) . ?
Pt1A C17A 2.068(11) . ?
Pt2A N3A 2.058(11) . ?
Pt2A N4A 2.033(11) . ?
Pt2A C43A 2.072(12) . ?
Pt2A C50A 1.924(13) . ?
O1A C30A 1.354(12) . ?
O1A C31A 1.359(13) . ?
N1A C1A 1.318(16) . ?
N1A C5A 1.378(15) . ?
N2A C12A 1.364(14) . ?
N2A C16A 1.348(15) . ?
N3A C44A 1.336(16) . ?
N3A C48A 1.387(16) . ?
N4A C55A 1.370(18) . ?
N4A C59A 1.351(18) . ?
C1A H1A 0.9500 . ?
C1A C2A 1.373(17) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.38(2) . ?
C3A H3A 0.9500 . ?
C3A C4A 1.366(19) . ?
C4A H4A 0.9500 . ?
C4A C5A 1.371(16) . ?
C5A C6A 1.488(17) . ?
C6A C7A 1.391(16) . ?
C6A C11A 1.394(16) . ?
C7A C8A 1.380(17) . ?
C8A C9A 1.393(15) . ?
C8A C12A 1.465(16) . ?
C9A H9A 0.9500 . ?
C9A C10A 1.388(16) . ?
C10A H10A 0.9500 . ?
C10A C11A 1.401(18) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.391(17) . ?
C13A H13A 0.9500 . ?
C13A C14A 1.386(18) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.371(19) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.388(17) . ?
C16A H16A 0.9500 . ?
C17A C18A 1.187(15) . ?
C18A C19A 1.458(15) . ?
C19A C20A 1.406(15) . ?
C19A C31A 1.402(16) . ?
C20A H20A 0.9500 . ?
C20A C21A 1.380(15) . ?
C21A C22A 1.413(16) . ?
C21A C32A 1.522(16) . ?
C22A H22A 0.9500 . ?
C22A C23A 1.380(16) . ?
C23A C24A 1.522(16) . ?
C23A C31A 1.383(15) . ?
C24A C25A 1.504(16) . ?
C24A C36A 1.56(2) . ?
C24A C37A 1.52(2) . ?
C25A C26A 1.408(15) . ?
C25A C30A 1.391(15) . ?
C26A H26A 0.9500 . ?
C26A C27A 1.371(16) . ?
C27A C28A 1.401(16) . ?
C27A C38A 1.521(17) . ?
C28A H28A 0.9500 . ?
C28A C29A 1.388(16) . ?
C29A C30A 1.410(15) . ?
C29A C42A 1.462(16) . ?
C32A C33A 1.52(2) . ?
C32A C34A 1.491(19) . ?
C32A C35A 1.521(19) . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34A H34D 0.9800 . ?
C34A H34E 0.9800 . ?
C34A H34F 0.9800 . ?
C35A H35D 0.9800 . ?
C35A H35E 0.9800 . ?
C35A H35F 0.9800 . ?
C36A H36D 0.9800 . ?
C36A H36E 0.9800 . ?
C36A H36F 0.9800 . ?
C37A H37D 0.9800 . ?
C37A H37E 0.9800 . ?
C37A H37F 0.9800 . ?
C38A C39A 1.503(17) . ?
C38A C40A 1.54(2) . ?
C38A C41A 1.545(19) . ?
C39A H39D 0.9800 . ?
C39A H39E 0.9800 . ?
C39A H39F 0.9800 . ?
C40A H40D 0.9800 . ?
C40A H40E 0.9800 . ?
C40A H40F 0.9800 . ?
C41A H41D 0.9800 . ?
C41A H41E 0.9800 . ?
C41A H41F 0.9800 . ?
C42A C43A 1.175(16) . ?
C44A H44A 0.9500 . ?
C44A C45A 1.39(2) . ?
C45A H45A 0.9500 . ?
C45A C46A 1.45(3) . ?
C46A H46A 0.9500 . ?
C46A C47A 1.29(2) . ?
C47A H47A 0.9500 . ?
C47A C48A 1.46(2) . ?
C48A C49A 1.47(2) . ?
C49A C50A 1.394(19) . ?
C49A C54A 1.375(19) . ?
C50A C51A 1.387(19) . ?
C51A C52A 1.393(19) . ?
C51A C55A 1.45(2) . ?
C52A H52A 0.9500 . ?
C52A C53A 1.38(3) . ?
C53A H53A 0.9500 . ?
C53A C54A 1.44(3) . ?
C54A H54A 0.9500 . ?
C55A C56A 1.43(2) . ?
C56A H56A 0.9500 . ?
C56A C57A 1.33(2) . ?
C57A H57A 0.9500 . ?
C57A C58A 1.40(3) . ?
C58A H58A 0.9500 . ?
C58A C59A 1.34(2) . ?
C59A H59A 0.9500 . ?
Cl1 C1S 1.753(16) . ?
Cl2 C1S 1.776(16) . ?
Cl3 C1S 1.720(16) . ?
C1S H1S 1.0000 . ?
Cl4 C2S 1.750(15) . ?
Cl5 C2S 1.765(17) . ?
Cl6 C2S 1.730(16) . ?
C2S H2S 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 C17 100.2(4) . . ?
N2 Pt1 N1 159.3(4) . . ?
N2 Pt1 C17 100.3(4) . . ?
C7 Pt1 N1 79.7(5) . . ?
C7 Pt1 N2 79.8(4) . . ?
C7 Pt1 C17 179.3(5) . . ?
N3 Pt2 C43 99.6(4) . . ?
N4 Pt2 N3 159.7(4) . . ?
N4 Pt2 C43 100.7(4) . . ?
C50 Pt2 N3 79.2(5) . . ?
C50 Pt2 N4 80.5(5) . . ?
C50 Pt2 C43 178.4(5) . . ?
C31 O1 C30 118.4(9) . . ?
C1 N1 Pt1 124.8(8) . . ?
C1 N1 C5 120.0(10) . . ?
C5 N1 Pt1 114.9(8) . . ?
C12 N2 Pt1 114.9(8) . . ?
C12 N2 C16 120.4(11) . . ?
C16 N2 Pt1 124.7(8) . . ?
C44 N3 Pt2 124.3(8) . . ?
C44 N3 C48 121.1(11) . . ?
C48 N3 Pt2 114.6(8) . . ?
C55 N4 Pt2 115.2(9) . . ?
C59 N4 Pt2 126.1(9) . . ?
C59 N4 C55 118.7(11) . . ?
N1 C1 H1 119.3 . . ?
N1 C1 C2 121.3(12) . . ?
C2 C1 H1 119.3 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0(13) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(13) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.6(12) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 120.1(11) . . ?
N1 C5 C6 113.4(10) . . ?
C4 C5 C6 126.4(11) . . ?
C7 C6 C5 113.0(10) . . ?
C11 C6 C5 129.2(12) . . ?
C11 C6 C7 117.7(12) . . ?
C6 C7 Pt1 118.8(9) . . ?
C8 C7 Pt1 118.5(9) . . ?
C8 C7 C6 122.6(10) . . ?
C7 C8 C9 119.0(11) . . ?
C7 C8 C12 112.4(10) . . ?
C9 C8 C12 128.6(11) . . ?
C8 C9 H9 119.7 . . ?
C8 C9 C10 120.7(12) . . ?
C10 C9 H9 119.7 . . ?
C9 C10 H10 121.1 . . ?
C9 C10 C11 117.8(12) . . ?
C11 C10 H10 121.1 . . ?
C6 C11 C10 122.3(14) . . ?
C6 C11 H11 118.9 . . ?
C10 C11 H11 118.9 . . ?
N2 C12 C8 114.3(10) . . ?
N2 C12 C13 124.0(13) . . ?
C13 C12 C8 121.6(11) . . ?
C12 C13 H13 123.3 . . ?
C12 C13 C14 113.4(13) . . ?
C14 C13 H13 123.3 . . ?
C13 C14 H14 118.9 . . ?
C15 C14 C13 122.2(13) . . ?
C15 C14 H14 118.9 . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.1(13) . . ?
C16 C15 H15 120.4 . . ?
N2 C16 C15 120.8(12) . . ?
N2 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C18 C17 Pt1 179.5(11) . . ?
C17 C18 C19 177.5(13) . . ?
C18 C19 C31 119.4(11) . . ?
C20 C19 C18 122.5(11) . . ?
C20 C19 C31 118.1(11) . . ?
C19 C20 H20 118.5 . . ?
C19 C20 C21 123.0(11) . . ?
C21 C20 H20 118.5 . . ?
C20 C21 C32 118.8(11) . . ?
C22 C21 C20 117.3(11) . . ?
C22 C21 C32 123.9(11) . . ?
C21 C22 H22 118.9 . . ?
C23 C22 C21 122.3(11) . . ?
C23 C22 H22 118.9 . . ?
C22 C23 C24 120.4(11) . . ?
C22 C23 C31 118.8(11) . . ?
C31 C23 C24 120.8(10) . . ?
C23 C24 C37 107.1(11) . . ?
C25 C24 C23 109.4(11) . . ?
C25 C24 C36 111.4(12) . . ?
C25 C24 C37 107.5(12) . . ?
C36 C24 C23 109.9(12) . . ?
C36 C24 C37 111.4(14) . . ?
C26 C25 C24 120.1(11) . . ?
C30 C25 C24 123.6(10) . . ?
C30 C25 C26 116.2(11) . . ?
C25 C26 H26 118.4 . . ?
C27 C26 C25 123.2(11) . . ?
C27 C26 H26 118.4 . . ?
C26 C27 C38 119.7(11) . . ?
C28 C27 C26 118.2(11) . . ?
C28 C27 C38 122.0(11) . . ?
C27 C28 H28 119.3 . . ?
C27 C28 C29 121.4(10) . . ?
C29 C28 H28 119.3 . . ?
C28 C29 C42 118.8(10) . . ?
C30 C29 C28 116.9(10) . . ?
C30 C29 C42 124.3(10) . . ?
O1 C30 C29 114.1(9) . . ?
C25 C30 O1 121.9(10) . . ?
C25 C30 C29 123.9(10) . . ?
O1 C31 C19 115.9(10) . . ?
O1 C31 C23 123.5(10) . . ?
C23 C31 C19 120.6(10) . . ?
C21 C32 C35 109.5(10) . . ?
C33 C32 C21 109.3(11) . . ?
C33 C32 C35 107.4(12) . . ?
C34 C32 C21 111.6(10) . . ?
C34 C32 C33 110.6(11) . . ?
C34 C32 C35 108.3(11) . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C24 C36 H36A 109.5 . . ?
C24 C36 H36B 109.5 . . ?
C24 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C24 C37 H37A 109.5 . . ?
C24 C37 H37B 109.5 . . ?
C24 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C27 C38 C39 109.8(11) . . ?
C40 C38 C27 108.4(12) . . ?
C40 C38 C39 110.4(13) . . ?
C41 C38 C27 112.1(11) . . ?
C41 C38 C39 106.7(13) . . ?
C41 C38 C40 109.5(11) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C29 174.9(13) . . ?
C42 C43 Pt2 178.6(11) . . ?
N3 C44 H44 120.1 . . ?
N3 C44 C45 119.9(12) . . ?
C45 C44 H44 120.1 . . ?
C44 C45 H45 119.7 . . ?
C46 C45 C44 120.6(13) . . ?
C46 C45 H45 119.7 . . ?
C45 C46 H46 120.2 . . ?
C45 C46 C47 119.6(12) . . ?
C47 C46 H46 120.2 . . ?
C46 C47 H47 120.7 . . ?
C48 C47 C46 118.6(13) . . ?
C48 C47 H47 120.7 . . ?
N3 C48 C47 120.2(12) . . ?
N3 C48 C49 115.4(10) . . ?
C47 C48 C49 124.4(11) . . ?
C50 C49 C48 111.8(10) . . ?
C54 C49 C48 129.4(13) . . ?
C54 C49 C50 118.7(13) . . ?
C49 C50 Pt2 118.9(9) . . ?
C49 C50 C51 123.9(11) . . ?
C51 C50 Pt2 117.2(9) . . ?
C50 C51 C55 112.8(10) . . ?
C52 C51 C50 117.2(12) . . ?
C52 C51 C55 129.8(12) . . ?
C51 C52 H52 120.8 . . ?
C53 C52 C51 118.3(13) . . ?
C53 C52 H52 120.8 . . ?
C52 C53 H53 118.0 . . ?
C52 C53 C54 124.1(13) . . ?
C54 C53 H53 118.0 . . ?
C49 C54 C53 117.7(14) . . ?
C49 C54 H54 121.1 . . ?
C53 C54 H54 121.1 . . ?
N4 C55 C51 114.2(11) . . ?
N4 C55 C56 122.5(13) . . ?
C56 C55 C51 122.9(12) . . ?
C55 C56 H56 121.6 . . ?
C55 C56 C57 116.7(13) . . ?
C57 C56 H56 121.6 . . ?
C56 C57 H57 120.2 . . ?
C58 C57 C56 119.6(13) . . ?
C58 C57 H57 120.2 . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.6(14) . . ?
C59 C58 H58 120.2 . . ?
N4 C59 C58 122.5(13) . . ?
N4 C59 H59 118.7 . . ?
C58 C59 H59 118.7 . . ?
N1A Pt1A C17A 99.3(4) . . ?
N2A Pt1A N1A 159.6(4) . . ?
N2A Pt1A C17A 101.0(4) . . ?
C7A Pt1A N1A 80.6(4) . . ?
C7A Pt1A N2A 79.1(4) . . ?
C7A Pt1A C17A 179.6(5) . . ?
N3A Pt2A C43A 100.3(4) . . ?
N4A Pt2A N3A 160.1(4) . . ?
N4A Pt2A C43A 99.6(5) . . ?
C50A Pt2A N3A 80.2(5) . . ?
C50A Pt2A N4A 79.9(5) . . ?
C50A Pt2A C43A 179.5(6) . . ?
C30A O1A C31A 117.7(9) . . ?
C1A N1A Pt1A 126.3(8) . . ?
C1A N1A C5A 119.5(10) . . ?
C5A N1A Pt1A 114.2(8) . . ?
C12A N2A Pt1A 115.7(8) . . ?
C16A N2A Pt1A 124.8(8) . . ?
C16A N2A C12A 119.3(10) . . ?
C44A N3A Pt2A 125.2(9) . . ?
C44A N3A C48A 120.8(12) . . ?
C48A N3A Pt2A 114.0(9) . . ?
C55A N4A Pt2A 115.0(9) . . ?
C59A N4A Pt2A 125.6(10) . . ?
C59A N4A C55A 119.3(13) . . ?
N1A C1A H1A 118.7 . . ?
N1A C1A C2A 122.6(12) . . ?
C2A C1A H1A 118.7 . . ?
C1A C2A H2A 120.8 . . ?
C1A C2A C3A 118.5(13) . . ?
C3A C2A H2A 120.8 . . ?
C2A C3A H3A 120.5 . . ?
C4A C3A C2A 119.0(13) . . ?
C4A C3A H3A 120.5 . . ?
C3A C4A H4A 119.7 . . ?
C3A C4A C5A 120.6(12) . . ?
C5A C4A H4A 119.7 . . ?
N1A C5A C6A 114.5(10) . . ?
C4A C5A N1A 119.5(11) . . ?
C4A C5A C6A 125.9(11) . . ?
C7A C6A C5A 112.1(10) . . ?
C7A C6A C11A 119.0(12) . . ?
C11A C6A C5A 128.9(11) . . ?
C6A C7A Pt1A 118.5(9) . . ?
C8A C7A Pt1A 119.3(8) . . ?
C8A C7A C6A 121.9(11) . . ?
C7A C8A C9A 120.4(11) . . ?
C7A C8A C12A 111.9(10) . . ?
C9A C8A C12A 127.7(11) . . ?
C8A C9A H9A 121.4 . . ?
C10A C9A C8A 117.2(11) . . ?
C10A C9A H9A 121.4 . . ?
C9A C10A H10A 118.3 . . ?
C9A C10A C11A 123.4(11) . . ?
C11A C10A H10A 118.3 . . ?
C6A C11A C10A 118.0(12) . . ?
C6A C11A H11A 121.0 . . ?
C10A C11A H11A 121.0 . . ?
N2A C12A C8A 113.9(10) . . ?
N2A C12A C13A 120.5(11) . . ?
C13A C12A C8A 125.6(11) . . ?
C12A C13A H13A 120.2 . . ?
C14A C13A C12A 119.6(12) . . ?
C14A C13A H13A 120.2 . . ?
C13A C14A H14A 120.2 . . ?
C15A C14A C13A 119.6(12) . . ?
C15A C14A H14A 120.2 . . ?
C14A C15A H15A 120.5 . . ?
C14A C15A C16A 119.1(12) . . ?
C16A C15A H15A 120.5 . . ?
N2A C16A C15A 122.0(12) . . ?
N2A C16A H16A 119.0 . . ?
C15A C16A H16A 119.0 . . ?
C18A C17A Pt1A 177.1(11) . . ?
C17A C18A C19A 178.9(13) . . ?
C20A C19A C18A 120.2(10) . . ?
C31A C19A C18A 121.6(10) . . ?
C31A C19A C20A 118.2(10) . . ?
C19A C20A H20A 118.3 . . ?
C21A C20A C19A 123.5(11) . . ?
C21A C20A H20A 118.3 . . ?
C20A C21A C22A 115.2(11) . . ?
C20A C21A C32A 124.6(11) . . ?
C22A C21A C32A 120.1(10) . . ?
C21A C22A H22A 118.1 . . ?
C23A C22A C21A 123.8(11) . . ?
C23A C22A H22A 118.1 . . ?
C22A C23A C24A 122.7(11) . . ?
C22A C23A C31A 118.7(11) . . ?
C31A C23A C24A 118.5(11) . . ?
C23A C24A C36A 108.5(11) . . ?
C25A C24A C23A 110.8(10) . . ?
C25A C24A C36A 107.8(12) . . ?
C25A C24A C37A 112.0(11) . . ?
C37A C24A C23A 112.4(13) . . ?
C37A C24A C36A 105.0(13) . . ?
C26A C25A C24A 122.4(10) . . ?
C30A C25A C24A 118.9(10) . . ?
C30A C25A C26A 118.4(10) . . ?
C25A C26A H26A 118.4 . . ?
C27A C26A C25A 123.1(11) . . ?
C27A C26A H26A 118.4 . . ?
C26A C27A C28A 116.8(11) . . ?
C26A C27A C38A 121.7(11) . . ?
C28A C27A C38A 121.4(11) . . ?
C27A C28A H28A 118.6 . . ?
C29A C28A C27A 122.8(11) . . ?
C29A C28A H28A 118.6 . . ?
C28A C29A C30A 118.4(10) . . ?
C28A C29A C42A 119.4(10) . . ?
C30A C29A C42A 122.1(10) . . ?
O1A C30A C25A 122.9(10) . . ?
O1A C30A C29A 116.7(10) . . ?
C25A C30A C29A 120.4(10) . . ?
O1A C31A C19A 116.0(9) . . ?
O1A C31A C23A 123.4(11) . . ?
C23A C31A C19A 120.5(11) . . ?
C21A C32A C33A 108.1(11) . . ?
C34A C32A C21A 108.9(12) . . ?
C34A C32A C33A 110.4(12) . . ?
C34A C32A C35A 111.7(13) . . ?
C35A C32A C21A 111.0(10) . . ?
C35A C32A C33A 106.7(13) . . ?
C32A C33A H33D 109.5 . . ?
C32A C33A H33E 109.5 . . ?
C32A C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C32A C34A H34D 109.5 . . ?
C32A C34A H34E 109.5 . . ?
C32A C34A H34F 109.5 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32A C35A H35D 109.5 . . ?
C32A C35A H35E 109.5 . . ?
C32A C35A H35F 109.5 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C24A C36A H36D 109.5 . . ?
C24A C36A H36E 109.5 . . ?
C24A C36A H36F 109.5 . . ?
H36D C36A H36E 109.5 . . ?
H36D C36A H36F 109.5 . . ?
H36E C36A H36F 109.5 . . ?
C24A C37A H37D 109.5 . . ?
C24A C37A H37E 109.5 . . ?
C24A C37A H37F 109.5 . . ?
H37D C37A H37E 109.5 . . ?
H37D C37A H37F 109.5 . . ?
H37E C37A H37F 109.5 . . ?
C27A C38A C40A 110.5(11) . . ?
C27A C38A C41A 107.8(11) . . ?
C39A C38A C27A 113.4(10) . . ?
C39A C38A C40A 109.8(12) . . ?
C39A C38A C41A 107.4(11) . . ?
C40A C38A C41A 107.8(12) . . ?
C38A C39A H39D 109.5 . . ?
C38A C39A H39E 109.5 . . ?
C38A C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C38A C40A H40D 109.5 . . ?
C38A C40A H40E 109.5 . . ?
C38A C40A H40F 109.5 . . ?
H40D C40A H40E 109.5 . . ?
H40D C40A H40F 109.5 . . ?
H40E C40A H40F 109.5 . . ?
C38A C41A H41D 109.5 . . ?
C38A C41A H41E 109.5 . . ?
C38A C41A H41F 109.5 . . ?
H41D C41A H41E 109.5 . . ?
H41D C41A H41F 109.5 . . ?
H41E C41A H41F 109.5 . . ?
C43A C42A C29A 177.3(13) . . ?
C42A C43A Pt2A 178.2(11) . . ?
N3A C44A H44A 119.5 . . ?
N3A C44A C45A 120.9(15) . . ?
C45A C44A H44A 119.5 . . ?
C44A C45A H45A 121.8 . . ?
C44A C45A C46A 116.5(16) . . ?
C46A C45A H45A 121.8 . . ?
C45A C46A H46A 117.4 . . ?
C47A C46A C45A 125.2(16) . . ?
C47A C46A H46A 117.4 . . ?
C46A C47A H47A 122.2 . . ?
C46A C47A C48A 115.5(15) . . ?
C48A C47A H47A 122.3 . . ?
N3A C48A C47A 120.8(13) . . ?
N3A C48A C49A 114.1(11) . . ?
C47A C48A C49A 125.0(12) . . ?
C50A C49A C48A 112.3(11) . . ?
C54A C49A C48A 128.0(15) . . ?
C54A C49A C50A 119.7(16) . . ?
C49A C50A Pt2A 119.3(10) . . ?
C51A C50A Pt2A 118.5(10) . . ?
C51A C50A C49A 122.2(12) . . ?
C50A C51A C52A 119.9(15) . . ?
C50A C51A C55A 112.9(11) . . ?
C52A C51A C55A 127.1(15) . . ?
C51A C52A H52A 121.2 . . ?
C53A C52A C51A 117.7(16) . . ?
C53A C52A H52A 121.2 . . ?
C52A C53A H53A 118.5 . . ?
C52A C53A C54A 123.0(15) . . ?
C54A C53A H53A 118.5 . . ?
C49A C54A C53A 117.4(17) . . ?
C49A C54A H54A 121.3 . . ?
C53A C54A H54A 121.3 . . ?
N4A C55A C51A 113.6(12) . . ?
N4A C55A C56A 118.6(14) . . ?
C56A C55A C51A 127.7(14) . . ?
C55A C56A H56A 120.6 . . ?
C57A C56A C55A 118.9(16) . . ?
C57A C56A H56A 120.6 . . ?
C56A C57A H57A 118.9 . . ?
C56A C57A C58A 122.1(16) . . ?
C58A C57A H57A 118.9 . . ?
C57A C58A H58A 121.4 . . ?
C59A C58A C57A 117.3(17) . . ?
C59A C58A H58A 121.4 . . ?
N4A C59A H59A 118.2 . . ?
C58A C59A N4A 123.6(17) . . ?
C58A C59A H59A 118.2 . . ?
Cl1 C1S Cl2 109.9(8) . . ?
Cl1 C1S H1S 108.1 . . ?
Cl2 C1S H1S 108.1 . . ?
Cl3 C1S Cl1 112.5(9) . . ?
Cl3 C1S Cl2 110.1(9) . . ?
Cl3 C1S H1S 108.1 . . ?
Cl4 C2S Cl5 109.8(9) . . ?
Cl4 C2S H2S 108.1 . . ?
Cl5 C2S H2S 108.1 . . ?
Cl6 C2S Cl4 110.9(8) . . ?
Cl6 C2S Cl5 111.7(9) . . ?
Cl6 C2S H2S 108.1 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 320.7 109.5 '2 CHCl3'
2 -0.115 0.206 0.965 14.9 1.0 ?
3 -0.115 0.294 0.465 14.9 1.0 ?
4 0.000 0.500 0.000 320.7 109.5 '2 CHCl3'
5 0.115 0.706 0.535 14.9 1.0 ?
6 0.115 0.794 0.035 14.9 1.0 ?
7 0.158 0.129 0.018 8.5 0.0 ?
8 0.158 0.371 0.518 8.5 0.0 ?
9 0.319 0.707 0.480 9.2 0.4 ?
10 0.319 0.793 0.980 9.2 0.4 ?
11 0.486 0.075 0.968 7.2 0.0 ?
12 0.486 0.425 0.468 7.2 0.0 ?
13 0.514 0.575 0.532 7.2 0.0 ?
14 0.514 0.925 0.032 7.2 0.0 ?
15 0.681 0.207 0.020 9.2 0.0 ?
16 0.681 0.293 0.520 9.2 0.0 ?
17 0.842 0.629 0.482 8.5 0.0 ?
18 0.842 0.871 0.982 8.5 0.0 ?


_olex2_submission_special_instructions 'No special instructions were received'
