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

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

data_cxy3337
_audit_block_doi                 10.5517/ccdc.csd.cc2d163s
_database_code_depnum_ccdc_archive 'CCDC 2205684'
loop_
_audit_author_name
_audit_author_address
'Xiaoyong Chang'
;Department of Chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2022-09-07 deposited with the CCDC.	2024-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-07-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C56 H45 N5 Pt, 2.299(C0.303 H1.212 Cl0.606)'
_chemical_formula_sum            'C56.70 H47.81 Cl1.40 N5 Pt'
_chemical_formula_weight         1044.07
_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'
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      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   23.010(3)
_cell_length_b                   11.9854(16)
_cell_length_c                   35.310(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9738(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9765
_cell_measurement_temperature    298
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    6.421
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4489
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1739 before and 0.1178 after correction.
The Ratio of minimum to maximum transmission is 0.5961.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4199
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1169
_diffrn_reflns_av_unetI/netI     0.0529
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            116593
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.452
_diffrn_reflns_theta_min         2.503
_diffrn_ambient_temperature      298
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_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           1.11
_diffrn_source_power             0.0555
_diffrn_source_type              'Incoatec I\ms'
_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                6886
_reflns_number_total             8942
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.899
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       0.000073(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     628
_refine_ls_number_reflns         8942
_refine_ls_number_restraints     201
_refine_ls_R_factor_all          0.0878
_refine_ls_R_factor_gt           0.0733
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0941P)²+75.3901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2039
_refine_ls_wR_factor_ref         0.2139
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl1-C56 = Cl2-C56 = Cl2A-C56A = Cl1A-C56A
 1.79 with sigma of 0.02
 Cl1B-C56B = Cl2B-C56B
 1.79 with sigma of 0.02
 C38-C37 = C38A-C37A = C57-C37 = C57A-C37A = C39A-C37A = C39-C37
 1.54 with sigma of 0.02
 Cl1-Cl2 = Cl2A-Cl1A
 2.9 with sigma of 0.04
 Cl2B-Cl1B
 2.9 with sigma of 0.04
 C39-C57 = C39A-C57A
 2.52 with sigma of 0.04
 C38A-C57A = C57-C38
 2.52 with sigma of 0.04
 C38-C39 = C38A-C39A
 2.52 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Cl1 \\sim C56 \\sim Cl2 \\sim Cl2A \\sim Cl1A \\sim C56A \\sim Cl2B \\sim Cl1B
\\sim C56B: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
C37 \\sim C38 \\sim C39 \\sim C57 \\sim C37A \\sim C38A \\sim C57A \\sim C39A:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
Uanis(Cl1) = Uanis(Cl1A) = Uanis(Cl1B)
Uanis(C56) = Uanis(C56A) = Uanis(C56B)
Uanis(Cl2) = Uanis(Cl2A) = Uanis(Cl2B)
Uanis(C57) = Uanis(C57A)
Uanis(C39) = Uanis(C39A)
Uanis(C37) = Uanis(C37A)
Uanis(C38) = Uanis(C38A)
4. Others
 Sof(H56C)=Sof(H56D)=Sof(H56E)=Sof(H56F)=1-FVAR(1)
 Sof(Cl1A)=Sof(C56A)=Sof(Cl2A)=Sof(Cl1B)=Sof(Cl2B)=Sof(C56B)=0.5*(1-FVAR(2))
 Sof(Cl1)=Sof(Cl2)=Sof(C56)=0.5*FVAR(2)
 Sof(H56A)=Sof(H56B)=FVAR(1)
 Sof(C37A)=Sof(C38A)=Sof(H38D)=Sof(H38E)=Sof(H38F)=Sof(C57A)=Sof(H57D)=
 Sof(H57E)=Sof(H57F)=Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(C37)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=Sof(C39)=Sof(H39A)=Sof(H39B)=
 Sof(H39C)=Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(H57C)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B), C56A(H56C,H56D), C56B(H56E,H56F)
5.b Aromatic/amide H refined with riding coordinates:
 C49(H49), C50(H50), C51(H51), C55(H55), C54(H54), C53(H53), C52(H52),
 C45(H45), C46(H46), C47(H47), C48(H48), C5(H5), C6(H6), C8(H8), C15(H15),
 C36(H36), C35(H35), C27(H27), C28(H28), C29(H29), C30(H30), C34(H34), C33(H33),
  C32(H32), C31(H31), C13(H13), C18(H18)
5.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C38(H38A,H38B,
 H38C), C39(H39A,H39B,H39C), C57(H57A,H57B,H57C), C38A(H38D,H38E,H38F),
 C57A(H57D,H57E,H57F), C39A(H39D,H39E,H39F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.52681(2) 0.10438(3) 0.57363(2) 0.05151(18) Uani 1 1 d . . . . .
N4 N 0.5774(4) -0.0020(6) 0.6041(3) 0.063(2) Uani 1 1 d . . . . .
N5 N 0.4923(4) 0.1871(7) 0.5289(2) 0.0563(19) Uani 1 1 d . . . . .
N1 N 0.4799(3) 0.1809(6) 0.6183(2) 0.0502(17) Uani 1 1 d . . . . .
N3 N 0.7772(4) 0.1224(8) 0.5021(3) 0.078(3) Uani 1 1 d . . . . .
N2 N 0.6998(4) 0.2919(8) 0.4791(3) 0.073(3) Uani 1 1 d . . . . .
C43 C 0.5668(5) 0.0857(9) 0.4966(3) 0.074(3) Uani 1 1 d . . . . .
C49 C 0.6033(6) 0.0511(12) 0.4684(4) 0.089(4) Uani 1 1 d . . . . .
H49 H 0.598217 0.076289 0.443414 0.107 Uiso 1 1 calc R U . . .
C50 C 0.6485(7) -0.0231(14) 0.4776(5) 0.114(6) Uani 1 1 d . . . . .
H50 H 0.674578 -0.045283 0.458572 0.137 Uiso 1 1 calc R U . . .
C51 C 0.6556(6) -0.0641(11) 0.5138(5) 0.093(4) Uani 1 1 d . . . . .
H51 H 0.685849 -0.114532 0.519070 0.112 Uiso 1 1 calc R U . . .
C41 C 0.6177(5) -0.0304(9) 0.5426(4) 0.074(3) Uani 1 1 d . . . . .
C40 C 0.6191(5) -0.0570(9) 0.5818(4) 0.077(3) Uani 1 1 d . . . . .
C55 C 0.5738(5) -0.0197(9) 0.6408(4) 0.072(3) Uani 1 1 d . . . . .
H55 H 0.546119 0.020078 0.655021 0.086 Uiso 1 1 calc R U . . .
C54 C 0.6102(7) -0.0968(11) 0.6595(5) 0.103(5) Uani 1 1 d . . . . .
H54 H 0.606622 -0.110524 0.685553 0.124 Uiso 1 1 calc R U . . .
C53 C 0.6520(7) -0.1520(12) 0.6376(6) 0.106(5) Uani 1 1 d . . . . .
H53 H 0.677814 -0.202245 0.649161 0.128 Uiso 1 1 calc R U . . .
C52 C 0.6554(6) -0.1334(11) 0.6000(6) 0.100(5) Uani 1 1 d . . . . .
H52 H 0.682958 -0.173015 0.585643 0.120 Uiso 1 1 calc R U . . .
C44 C 0.5194(5) 0.1676(9) 0.4945(3) 0.063(3) Uani 1 1 d . . . . .
C45 C 0.4471(5) 0.2566(9) 0.5299(3) 0.070(3) Uani 1 1 d . . . . .
H45 H 0.427691 0.267698 0.553050 0.084 Uiso 1 1 calc R U . . .
C46 C 0.4275(6) 0.3140(10) 0.4974(4) 0.083(3) Uani 1 1 d . . . . .
H46 H 0.397080 0.366125 0.499100 0.100 Uiso 1 1 calc R U . . .
C47 C 0.4538(8) 0.2922(12) 0.4633(4) 0.102(5) Uani 1 1 d . . . . .
H47 H 0.440516 0.326973 0.441026 0.122 Uiso 1 1 calc R U . . .
C48 C 0.5001(7) 0.2183(11) 0.4621(3) 0.082(4) Uani 1 1 d . . . . .
H48 H 0.518307 0.202779 0.438834 0.098 Uiso 1 1 calc R U . . .
C2 C 0.4381(4) 0.3180(7) 0.6570(2) 0.0479(19) Uani 1 1 d . . . . .
C4 C 0.4364(4) 0.1345(7) 0.6396(3) 0.052(2) Uani 1 1 d . . . . .
C5 C 0.4167(5) 0.0238(7) 0.6393(3) 0.060(2) Uani 1 1 d . . . . .
H5 H 0.434089 -0.029772 0.623560 0.072 Uiso 1 1 calc R U . . .
C6 C 0.3704(4) -0.0050(8) 0.6632(3) 0.062(2) Uani 1 1 d . . . . .
H6 H 0.357125 -0.079133 0.662691 0.074 Uiso 1 1 calc R U . . .
C7 C 0.3424(4) 0.0713(8) 0.6881(3) 0.054(2) Uani 1 1 d . . . . .
C8 C 0.3641(4) 0.1807(8) 0.6881(3) 0.052(2) Uani 1 1 d . . . . .
H8 H 0.347799 0.233415 0.704746 0.063 Uiso 1 1 calc R U . . .
C9 C 0.2930(5) 0.0321(9) 0.7130(3) 0.064(3) Uani 1 1 d . . . . .
C10 C 0.2622(6) 0.1286(12) 0.7336(5) 0.105(5) Uani 1 1 d . . . . .
H10A H 0.252867 0.187025 0.715544 0.158 Uiso 1 1 calc R U . . .
H10B H 0.287553 0.158364 0.753052 0.158 Uiso 1 1 calc R U . . .
H10C H 0.226649 0.101361 0.745124 0.158 Uiso 1 1 calc R U . . .
C11 C 0.3170(7) -0.0487(14) 0.7427(5) 0.114(5) Uani 1 1 d . . . . .
H11A H 0.285414 -0.075288 0.758541 0.170 Uiso 1 1 calc R U . . .
H11B H 0.345417 -0.010511 0.758289 0.170 Uiso 1 1 calc R U . . .
H11C H 0.335241 -0.111545 0.730140 0.170 Uiso 1 1 calc R U . . .
C12 C 0.2482(6) -0.0313(14) 0.6903(5) 0.111(5) Uani 1 1 d . . . . .
H12A H 0.239406 0.009619 0.667261 0.167 Uiso 1 1 calc R U . . .
H12B H 0.213112 -0.039843 0.705168 0.167 Uiso 1 1 calc R U . . .
H12C H 0.263441 -0.104287 0.683761 0.167 Uiso 1 1 calc R U . . .
C14 C 0.4613(5) 0.5137(8) 0.6544(3) 0.062(3) Uani 1 1 d . . . . .
C15 C 0.5054(4) 0.4873(8) 0.6278(3) 0.056(2) Uani 1 1 d . . . . .
H15 H 0.528539 0.545354 0.618048 0.067 Uiso 1 1 calc R U . . .
C16 C 0.5158(4) 0.3787(8) 0.6155(3) 0.052(2) Uani 1 1 d . . . . .
C17 C 0.5655(4) 0.3567(7) 0.5899(3) 0.047(2) Uani 1 1 d . . . . .
C36 C 0.5693(5) 0.4024(7) 0.5531(3) 0.058(2) Uani 1 1 d . . . . .
H36 H 0.541784 0.455120 0.544967 0.069 Uiso 1 1 calc R U . . .
C35 C 0.6137(4) 0.3693(7) 0.5291(3) 0.058(2) Uani 1 1 d . . . . .
H35 H 0.614852 0.397497 0.504292 0.069 Uiso 1 1 calc R U . . .
C20 C 0.6560(4) 0.2962(7) 0.5409(3) 0.055(2) Uani 1 1 d . . . . .
C19 C 0.6570(4) 0.2565(8) 0.5780(3) 0.054(2) Uani 1 1 d . . . . .
C26 C 0.7036(4) 0.1825(8) 0.5926(3) 0.061(2) Uani 1 1 d . . . . .
C27 C 0.7096(5) 0.1526(10) 0.6301(4) 0.072(3) Uani 1 1 d . . . . .
H27 H 0.683343 0.182682 0.647789 0.086 Uiso 1 1 calc R U . . .
C28 C 0.7524(6) 0.0801(11) 0.6431(4) 0.086(4) Uani 1 1 d . . . . .
H28 H 0.754869 0.060292 0.668846 0.103 Uiso 1 1 calc R U . . .
C29 C 0.7920(6) 0.0374(12) 0.6163(5) 0.094(4) Uani 1 1 d . . . . .
H29 H 0.821905 -0.010833 0.624138 0.112 Uiso 1 1 calc R U . . .
C30 C 0.7874(6) 0.0654(11) 0.5792(4) 0.083(4) Uani 1 1 d . . . . .
H30 H 0.813918 0.034958 0.561795 0.099 Uiso 1 1 calc R U . . .
C25 C 0.7436(5) 0.1393(9) 0.5657(3) 0.065(3) Uani 1 1 d . . . . .
C24 C 0.7410(4) 0.1701(9) 0.5265(3) 0.064(3) Uani 1 1 d . . . . .
C23 C 0.7748(5) 0.1578(10) 0.4664(4) 0.078(3) Uani 1 1 d . . . . .
C22 C 0.7380(5) 0.2441(10) 0.4546(3) 0.077(3) Uani 1 1 d . . . . .
C34 C 0.7408(7) 0.2868(14) 0.4165(4) 0.100(5) Uani 1 1 d . . . . .
H34 H 0.717620 0.347940 0.409522 0.120 Uiso 1 1 calc R U . . .
C33 C 0.7768(8) 0.2394(17) 0.3907(5) 0.122(6) Uani 1 1 d . . . . .
H33 H 0.778463 0.266976 0.365769 0.146 Uiso 1 1 calc R U . . .
C32 C 0.8117(7) 0.1481(16) 0.4016(5) 0.109(5) Uani 1 1 d . . . . .
H32 H 0.835498 0.113455 0.383461 0.131 Uiso 1 1 calc R U . . .
C31 C 0.8119(6) 0.1081(13) 0.4384(5) 0.100(5) Uani 1 1 d . . . . .
H31 H 0.836337 0.048426 0.445069 0.121 Uiso 1 1 calc R U . . .
C21 C 0.7008(4) 0.2531(9) 0.5144(3) 0.063(3) Uani 1 1 d . . . . .
C37 C 0.4556(13) 0.635(3) 0.6705(9) 0.097(3) Uani 0.412(14) 1 d D U P A 1
C38 C 0.5078(13) 0.667(3) 0.6962(10) 0.106(4) Uani 0.412(14) 1 d D U P A 1
H38A H 0.498689 0.734437 0.710174 0.159 Uiso 0.412(14) 1 calc R U P A 1
H38B H 0.541947 0.679319 0.680716 0.159 Uiso 0.412(14) 1 calc R U P A 1
H38C H 0.515274 0.606641 0.713908 0.159 Uiso 0.412(14) 1 calc R U P A 1
C39 C 0.3978(13) 0.656(3) 0.6913(11) 0.099(4) Uani 0.412(14) 1 d D U P A 1
H39A H 0.399181 0.620810 0.716024 0.149 Uiso 0.412(14) 1 calc R U P A 1
H39B H 0.366192 0.624183 0.676667 0.149 Uiso 0.412(14) 1 calc R U P A 1
H39C H 0.391732 0.735456 0.694241 0.149 Uiso 0.412(14) 1 calc R U P A 1
C42 C 0.5725(4) 0.0456(7) 0.5336(3) 0.059(2) Uani 1 1 d . . . . .
C1 C 0.4803(3) 0.2922(6) 0.6290(2) 0.0419(18) Uani 1 1 d . . . . .
C13 C 0.4288(4) 0.4252(7) 0.6691(3) 0.052(2) Uani 1 1 d . . . . .
H13 H 0.400322 0.439401 0.687575 0.062 Uiso 1 1 calc R U . . .
C3 C 0.4089(4) 0.2130(7) 0.6643(2) 0.0466(19) Uani 1 1 d . . . . .
C18 C 0.6098(4) 0.2868(7) 0.6022(3) 0.052(2) Uani 1 1 d . . . . .
H18 H 0.608738 0.258683 0.626998 0.063 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5851(6) 0.2108(11) 0.7083(4) 0.108(3) Uani 0.303(4) 1 d D U P B 1
Cl2 Cl 0.6360(7) 0.4232(15) 0.7148(4) 0.122(3) Uani 0.303(4) 1 d D U P B 1
C56 C 0.5695(11) 0.3514(19) 0.7175(15) 0.111(4) Uani 0.303(4) 1 d D U P B 1
H56A H 0.552365 0.359766 0.742731 0.134 Uiso 0.606(7) 1 calc R U P B 1
H56B H 0.542071 0.380600 0.698707 0.134 Uiso 0.606(7) 1 calc R U P B 1
C57 C 0.4583(17) 0.719(3) 0.6373(9) 0.110(4) Uani 0.412(14) 1 d D U P A 1
H57A H 0.448646 0.793424 0.646529 0.166 Uiso 0.412(14) 1 calc R U P A 1
H57B H 0.430654 0.697569 0.617957 0.166 Uiso 0.412(14) 1 calc R U P A 1
H57C H 0.497148 0.719972 0.626734 0.166 Uiso 0.412(14) 1 calc R U P A 1
Cl1A Cl 0.5048(11) -0.0520(16) 0.7590(5) 0.108(3) Uani 0.197(4) 1 d D U P B -2
C56A C 0.513(3) 0.094(2) 0.7608(12) 0.111(4) Uani 0.197(4) 1 d D U P B -2
H56C H 0.535333 0.111971 0.783663 0.134 Uiso 0.394(7) 1 calc R U P B -2
H56D H 0.474333 0.126820 0.763996 0.134 Uiso 0.394(7) 1 calc R U P B -2
Cl2A Cl 0.5473(10) 0.164(2) 0.7218(6) 0.122(3) Uani 0.197(4) 1 d D U P B -2
Cl1B Cl 0.6550(10) 0.3610(18) 0.7082(6) 0.108(3) Uani 0.197(4) 1 d D U P B 2
Cl2B Cl 0.6168(9) 0.577(2) 0.7030(6) 0.122(3) Uani 0.197(4) 1 d D U P B 2
C56B C 0.5905(14) 0.439(3) 0.710(2) 0.111(4) Uani 0.197(4) 1 d D U P B 2
H56E H 0.571596 0.431906 0.735166 0.134 Uiso 0.394(7) 1 calc R U P B 2
H56F H 0.563097 0.416982 0.690521 0.134 Uiso 0.394(7) 1 calc R U P B 2
C37A C 0.4455(10) 0.635(2) 0.6622(6) 0.097(3) Uani 0.588(14) 1 d D U P A 2
C38A C 0.4964(11) 0.7169(17) 0.6558(8) 0.106(4) Uani 0.588(14) 1 d D U P A 2
H38D H 0.529876 0.692651 0.670264 0.159 Uiso 0.588(14) 1 calc R U P A 2
H38E H 0.484943 0.790998 0.663889 0.159 Uiso 0.588(14) 1 calc R U P A 2
H38F H 0.506259 0.718491 0.629050 0.159 Uiso 0.588(14) 1 calc R U P A 2
C57A C 0.3980(11) 0.6700(18) 0.6335(7) 0.110(4) Uani 0.588(14) 1 d D U P A 2
H57D H 0.413841 0.667261 0.608008 0.166 Uiso 0.588(14) 1 calc R U P A 2
H57E H 0.385287 0.745377 0.639042 0.166 Uiso 0.588(14) 1 calc R U P A 2
H57F H 0.365261 0.619407 0.635327 0.166 Uiso 0.588(14) 1 calc R U P A 2
C39A C 0.4224(12) 0.648(2) 0.7025(6) 0.099(4) Uani 0.588(14) 1 d D U P A 2
H39D H 0.390199 0.596981 0.706412 0.149 Uiso 0.588(14) 1 calc R U P A 2
H39E H 0.409261 0.723974 0.706308 0.149 Uiso 0.588(14) 1 calc R U P A 2
H39F H 0.453132 0.631033 0.720446 0.149 Uiso 0.588(14) 1 calc R U P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N4 2.036(9) . ?
Pt1 N5 2.027(8) . ?
Pt1 N1 2.120(7) . ?
Pt1 C42 1.897(10) . ?
N4 C40 1.407(14) . ?
N4 C55 1.315(15) . ?
N5 C44 1.385(12) . ?
N5 C45 1.333(14) . ?
N1 C4 1.371(12) . ?
N1 C1 1.386(10) . ?
N3 C24 1.329(13) . ?
N3 C23 1.332(17) . ?
N2 C22 1.362(14) . ?
N2 C21 1.331(14) . ?
C43 C49 1.367(15) . ?
C43 C44 1.469(17) . ?
C43 C42 1.397(16) . ?
C49 H49 0.9400 . ?
C49 C50 1.41(2) . ?
C50 H50 0.9400 . ?
C50 C51 1.38(2) . ?
C51 H51 0.9400 . ?
C51 C41 1.402(17) . ?
C41 C40 1.418(18) . ?
C41 C42 1.418(15) . ?
C40 C52 1.396(19) . ?
C55 H55 0.9400 . ?
C55 C54 1.410(17) . ?
C54 H54 0.9400 . ?
C54 C53 1.40(2) . ?
C53 H53 0.9400 . ?
C53 C52 1.35(2) . ?
C52 H52 0.9400 . ?
C44 C48 1.371(17) . ?
C45 H45 0.9400 . ?
C45 C46 1.413(16) . ?
C46 H46 0.9400 . ?
C46 C47 1.37(2) . ?
C47 H47 0.9400 . ?
C47 C48 1.39(2) . ?
C48 H48 0.9400 . ?
C2 C1 1.421(12) . ?
C2 C13 1.371(12) . ?
C2 C3 1.449(12) . ?
C4 C5 1.402(12) . ?
C4 C3 1.430(12) . ?
C5 H5 0.9400 . ?
C5 C6 1.399(13) . ?
C6 H6 0.9400 . ?
C6 C7 1.424(13) . ?
C7 C8 1.403(13) . ?
C7 C9 1.511(13) . ?
C8 H8 0.9400 . ?
C8 C3 1.387(12) . ?
C9 C10 1.540(16) . ?
C9 C11 1.531(17) . ?
C9 C12 1.510(16) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C14 C15 1.420(14) . ?
C14 C37 1.57(4) . ?
C14 C13 1.397(13) . ?
C14 C37A 1.52(3) . ?
C15 H15 0.9400 . ?
C15 C16 1.393(12) . ?
C16 C17 1.479(13) . ?
C16 C1 1.403(12) . ?
C17 C36 1.412(14) . ?
C17 C18 1.390(13) . ?
C36 H36 0.9400 . ?
C36 C35 1.385(13) . ?
C35 H35 0.9400 . ?
C35 C20 1.374(14) . ?
C20 C19 1.394(14) . ?
C20 C21 1.484(13) . ?
C19 C26 1.484(14) . ?
C19 C18 1.428(12) . ?
C26 C27 1.380(16) . ?
C26 C25 1.419(14) . ?
C27 H27 0.9400 . ?
C27 C28 1.393(16) . ?
C28 H28 0.9400 . ?
C28 C29 1.412(18) . ?
C29 H29 0.9400 . ?
C29 C30 1.355(19) . ?
C30 H30 0.9400 . ?
C30 C25 1.423(17) . ?
C25 C24 1.435(16) . ?
C24 C21 1.424(15) . ?
C23 C22 1.399(18) . ?
C23 C31 1.434(16) . ?
C22 C34 1.439(18) . ?
C34 H34 0.9400 . ?
C34 C33 1.36(2) . ?
C33 H33 0.9400 . ?
C33 C32 1.41(2) . ?
C32 H32 0.9400 . ?
C32 C31 1.38(2) . ?
C31 H31 0.9400 . ?
C37 C38 1.551(19) . ?
C37 C39 1.538(19) . ?
C37 C57 1.545(19) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C38 H38C 0.9700 . ?
C39 H39A 0.9700 . ?
C39 H39B 0.9700 . ?
C39 H39C 0.9700 . ?
C13 H13 0.9400 . ?
C18 H18 0.9400 . ?
Cl1 C56 1.753(19) . ?
Cl2 C56 1.758(19) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
C57 H57C 0.9700 . ?
Cl1A C56A 1.76(2) . ?
C56A H56C 0.9800 . ?
C56A H56D 0.9800 . ?
C56A Cl2A 1.79(2) . ?
Cl1B C56B 1.76(2) . ?
Cl2B C56B 1.78(2) . ?
C56B H56E 0.9800 . ?
C56B H56F 0.9800 . ?
C37A C38A 1.546(18) . ?
C37A C57A 1.550(18) . ?
C37A C39A 1.527(18) . ?
C38A H38D 0.9700 . ?
C38A H38E 0.9700 . ?
C38A H38F 0.9700 . ?
C57A H57D 0.9700 . ?
C57A H57E 0.9700 . ?
C57A H57F 0.9700 . ?
C39A H39D 0.9700 . ?
C39A H39E 0.9700 . ?
C39A H39F 0.9700 . ?

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
N4 Pt1 N1 99.7(3) . . ?
N5 Pt1 N4 160.5(4) . . ?
N5 Pt1 N1 99.7(3) . . ?
C42 Pt1 N4 81.0(4) . . ?
C42 Pt1 N5 79.5(4) . . ?
C42 Pt1 N1 175.7(3) . . ?
C40 N4 Pt1 112.7(8) . . ?
C55 N4 Pt1 125.8(7) . . ?
C55 N4 C40 121.4(10) . . ?
C44 N5 Pt1 115.1(7) . . ?
C45 N5 Pt1 126.1(7) . . ?
C45 N5 C44 118.8(10) . . ?
C4 N1 Pt1 127.2(6) . . ?
C4 N1 C1 104.3(7) . . ?
C1 N1 Pt1 127.9(6) . . ?
C24 N3 C23 116.8(11) . . ?
C21 N2 C22 116.0(11) . . ?
C49 C43 C44 128.3(13) . . ?
C49 C43 C42 121.3(13) . . ?
C42 C43 C44 110.3(9) . . ?
C43 C49 H49 120.8 . . ?
C43 C49 C50 118.5(14) . . ?
C50 C49 H49 120.8 . . ?
C49 C50 H50 119.1 . . ?
C51 C50 C49 121.9(12) . . ?
C51 C50 H50 119.1 . . ?
C50 C51 H51 120.1 . . ?
C50 C51 C41 119.8(14) . . ?
C41 C51 H51 120.1 . . ?
C51 C41 C40 129.0(13) . . ?
C51 C41 C42 118.6(13) . . ?
C40 C41 C42 112.4(10) . . ?
N4 C40 C41 115.2(10) . . ?
C52 C40 N4 117.1(14) . . ?
C52 C40 C41 127.6(13) . . ?
N4 C55 H55 119.1 . . ?
N4 C55 C54 121.8(13) . . ?
C54 C55 H55 119.1 . . ?
C55 C54 H54 121.3 . . ?
C53 C54 C55 117.4(16) . . ?
C53 C54 H54 121.3 . . ?
C54 C53 H53 119.8 . . ?
C52 C53 C54 120.4(14) . . ?
C52 C53 H53 119.8 . . ?
C40 C52 H52 119.1 . . ?
C53 C52 C40 121.8(15) . . ?
C53 C52 H52 119.1 . . ?
N5 C44 C43 113.7(10) . . ?
C48 C44 N5 120.7(11) . . ?
C48 C44 C43 125.5(11) . . ?
N5 C45 H45 119.0 . . ?
N5 C45 C46 122.1(11) . . ?
C46 C45 H45 119.0 . . ?
C45 C46 H46 120.7 . . ?
C47 C46 C45 118.7(14) . . ?
C47 C46 H46 120.7 . . ?
C46 C47 H47 120.4 . . ?
C46 C47 C48 119.1(13) . . ?
C48 C47 H47 120.4 . . ?
C44 C48 C47 120.5(12) . . ?
C44 C48 H48 119.8 . . ?
C47 C48 H48 119.8 . . ?
C1 C2 C3 104.6(7) . . ?
C13 C2 C1 121.9(8) . . ?
C13 C2 C3 133.3(8) . . ?
N1 C4 C5 128.1(9) . . ?
N1 C4 C3 113.0(7) . . ?
C5 C4 C3 119.0(9) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 C4 118.4(9) . . ?
C6 C5 H5 120.8 . . ?
C5 C6 H6 118.0 . . ?
C5 C6 C7 123.9(8) . . ?
C7 C6 H6 118.0 . . ?
C6 C7 C9 120.0(8) . . ?
C8 C7 C6 116.1(8) . . ?
C8 C7 C9 123.9(9) . . ?
C7 C8 H8 119.1 . . ?
C3 C8 C7 121.7(8) . . ?
C3 C8 H8 119.1 . . ?
C7 C9 C10 112.8(9) . . ?
C7 C9 C11 108.9(9) . . ?
C11 C9 C10 108.5(12) . . ?
C12 C9 C7 111.1(10) . . ?
C12 C9 C10 108.3(11) . . ?
C12 C9 C11 107.0(12) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C15 C14 C37 120.4(13) . . ?
C15 C14 C37A 120.2(11) . . ?
C13 C14 C15 117.4(9) . . ?
C13 C14 C37 121.7(13) . . ?
C13 C14 C37A 121.9(12) . . ?
C14 C15 H15 118.8 . . ?
C16 C15 C14 122.5(9) . . ?
C16 C15 H15 118.8 . . ?
C15 C16 C17 119.2(8) . . ?
C15 C16 C1 119.0(9) . . ?
C1 C16 C17 121.7(8) . . ?
C36 C17 C16 122.7(8) . . ?
C18 C17 C16 119.0(9) . . ?
C18 C17 C36 118.3(8) . . ?
C17 C36 H36 120.1 . . ?
C35 C36 C17 119.9(9) . . ?
C35 C36 H36 120.1 . . ?
C36 C35 H35 119.3 . . ?
C20 C35 C36 121.3(10) . . ?
C20 C35 H35 119.3 . . ?
C35 C20 C19 120.9(9) . . ?
C35 C20 C21 121.6(10) . . ?
C19 C20 C21 117.5(9) . . ?
C20 C19 C26 122.9(9) . . ?
C20 C19 C18 117.6(9) . . ?
C18 C19 C26 119.6(9) . . ?
C27 C26 C19 124.1(9) . . ?
C27 C26 C25 118.8(10) . . ?
C25 C26 C19 117.1(10) . . ?
C26 C27 H27 118.3 . . ?
C26 C27 C28 123.4(11) . . ?
C28 C27 H27 118.3 . . ?
C27 C28 H28 121.3 . . ?
C27 C28 C29 117.5(13) . . ?
C29 C28 H28 121.3 . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.5(12) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 118.9 . . ?
C29 C30 C25 122.2(11) . . ?
C25 C30 H30 118.9 . . ?
C26 C25 C30 117.6(11) . . ?
C26 C25 C24 121.6(10) . . ?
C30 C25 C24 120.8(10) . . ?
N3 C24 C25 119.3(11) . . ?
N3 C24 C21 120.9(11) . . ?
C21 C24 C25 119.8(9) . . ?
N3 C23 C22 122.9(10) . . ?
N3 C23 C31 119.6(14) . . ?
C22 C23 C31 117.5(14) . . ?
N2 C22 C23 120.8(11) . . ?
N2 C22 C34 118.3(13) . . ?
C23 C22 C34 120.9(12) . . ?
C22 C34 H34 119.8 . . ?
C33 C34 C22 120.4(17) . . ?
C33 C34 H34 119.8 . . ?
C34 C33 H33 120.4 . . ?
C34 C33 C32 119.2(16) . . ?
C32 C33 H33 120.4 . . ?
C33 C32 H32 119.1 . . ?
C31 C32 C33 121.8(14) . . ?
C31 C32 H32 119.1 . . ?
C23 C31 H31 120.0 . . ?
C32 C31 C23 120.0(16) . . ?
C32 C31 H31 120.0 . . ?
N2 C21 C20 117.1(10) . . ?
N2 C21 C24 122.5(10) . . ?
C24 C21 C20 120.4(10) . . ?
C38 C37 C14 112(2) . . ?
C39 C37 C14 113(2) . . ?
C39 C37 C38 111(2) . . ?
C39 C37 C57 107(2) . . ?
C57 C37 C14 109(2) . . ?
C57 C37 C38 105(2) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C43 C42 Pt1 121.1(8) . . ?
C43 C42 C41 120.0(10) . . ?
C41 C42 Pt1 118.5(9) . . ?
N1 C1 C2 113.2(7) . . ?
N1 C1 C16 128.5(8) . . ?
C16 C1 C2 118.3(7) . . ?
C2 C13 C14 120.8(9) . . ?
C2 C13 H13 119.6 . . ?
C14 C13 H13 119.6 . . ?
C4 C3 C2 105.0(7) . . ?
C8 C3 C2 134.1(8) . . ?
C8 C3 C4 120.9(8) . . ?
C17 C18 C19 121.7(9) . . ?
C17 C18 H18 119.1 . . ?
C19 C18 H18 119.1 . . ?
Cl1 C56 Cl2 106.4(15) . . ?
Cl1 C56 H56A 110.4 . . ?
Cl1 C56 H56B 110.4 . . ?
Cl2 C56 H56A 110.4 . . ?
Cl2 C56 H56B 110.4 . . ?
H56A C56 H56B 108.6 . . ?
C37 C57 H57A 109.5 . . ?
C37 C57 H57B 109.5 . . ?
C37 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Cl1A C56A H56C 107.6 . . ?
Cl1A C56A H56D 107.6 . . ?
Cl1A C56A Cl2A 119(2) . . ?
H56C C56A H56D 107.1 . . ?
Cl2A C56A H56C 107.6 . . ?
Cl2A C56A H56D 107.6 . . ?
Cl1B C56B Cl2B 101.6(18) . . ?
Cl1B C56B H56E 111.4 . . ?
Cl1B C56B H56F 111.4 . . ?
Cl2B C56B H56E 111.4 . . ?
Cl2B C56B H56F 111.4 . . ?
H56E C56B H56F 109.3 . . ?
C14 C37A C38A 113.6(17) . . ?
C14 C37A C57A 108.0(16) . . ?
C14 C37A C39A 110.5(18) . . ?
C38A C37A C57A 105.3(18) . . ?
C39A C37A C38A 109.6(19) . . ?
C39A C37A C57A 109.7(19) . . ?
C37A C38A H38D 109.5 . . ?
C37A C38A H38E 109.5 . . ?
C37A C38A H38F 109.5 . . ?
H38D C38A H38E 109.5 . . ?
H38D C38A H38F 109.5 . . ?
H38E C38A H38F 109.5 . . ?
C37A C57A H57D 109.5 . . ?
C37A C57A H57E 109.5 . . ?
C37A C57A H57F 109.5 . . ?
H57D C57A H57E 109.5 . . ?
H57D C57A H57F 109.5 . . ?
H57E C57A H57F 109.5 . . ?
C37A C39A H39D 109.5 . . ?
C37A C39A H39E 109.5 . . ?
C37A C39A H39F 109.5 . . ?
H39D C39A H39E 109.5 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N4 C40 C41 -1.1(11) . . . . ?
Pt1 N4 C40 C52 -178.9(9) . . . . ?
Pt1 N4 C55 C54 178.9(9) . . . . ?
Pt1 N5 C44 C43 2.8(10) . . . . ?
Pt1 N5 C44 C48 179.8(8) . . . . ?
Pt1 N5 C45 C46 177.4(8) . . . . ?
Pt1 N1 C4 C5 6.6(15) . . . . ?
Pt1 N1 C4 C3 -172.7(6) . . . . ?
Pt1 N1 C1 C2 172.3(6) . . . . ?
Pt1 N1 C1 C16 -7.0(13) . . . . ?
N4 Pt1 C42 C43 -175.9(8) . . . . ?
N4 Pt1 C42 C41 -3.6(7) . . . . ?
N4 C40 C52 C53 -2(2) . . . . ?
N4 C55 C54 C53 1.8(19) . . . . ?
N5 Pt1 C42 C43 4.8(8) . . . . ?
N5 Pt1 C42 C41 177.2(8) . . . . ?
N5 C44 C48 C47 1.6(16) . . . . ?
N5 C45 C46 C47 4.0(18) . . . . ?
N1 C4 C5 C6 -178.8(10) . . . . ?
N1 C4 C3 C2 0.9(10) . . . . ?
N1 C4 C3 C8 -179.7(8) . . . . ?
N3 C24 C21 N2 -4.3(15) . . . . ?
N3 C24 C21 C20 172.8(9) . . . . ?
N3 C23 C22 N2 -4.1(18) . . . . ?
N3 C23 C22 C34 174.0(11) . . . . ?
N3 C23 C31 C32 -176.8(12) . . . . ?
N2 C22 C34 C33 -177.7(13) . . . . ?
C43 C49 C50 C51 2(2) . . . . ?
C43 C44 C48 C47 178.2(11) . . . . ?
C49 C43 C44 N5 -177.5(10) . . . . ?
C49 C43 C44 C48 5.7(18) . . . . ?
C49 C43 C42 Pt1 173.9(8) . . . . ?
C49 C43 C42 C41 1.6(15) . . . . ?
C49 C50 C51 C41 -1(2) . . . . ?
C50 C51 C41 C40 -176.1(12) . . . . ?
C50 C51 C41 C42 0.1(18) . . . . ?
C51 C41 C40 N4 174.8(11) . . . . ?
C51 C41 C40 C52 -8(2) . . . . ?
C51 C41 C42 Pt1 -172.8(8) . . . . ?
C51 C41 C42 C43 -0.4(15) . . . . ?
C41 C40 C52 C53 -179.3(14) . . . . ?
C40 N4 C55 C54 -1.8(17) . . . . ?
C40 C41 C42 Pt1 3.9(12) . . . . ?
C40 C41 C42 C43 176.4(9) . . . . ?
C55 N4 C40 C41 179.5(10) . . . . ?
C55 N4 C40 C52 1.7(16) . . . . ?
C55 C54 C53 C52 -2(2) . . . . ?
C54 C53 C52 C40 2(2) . . . . ?
C44 N5 C45 C46 -2.5(15) . . . . ?
C44 C43 C49 C50 175.7(11) . . . . ?
C44 C43 C42 Pt1 -4.6(11) . . . . ?
C44 C43 C42 C41 -176.8(8) . . . . ?
C45 N5 C44 C43 -177.3(9) . . . . ?
C45 N5 C44 C48 -0.3(14) . . . . ?
C45 C46 C47 C48 -2.6(19) . . . . ?
C46 C47 C48 C44 0.0(19) . . . . ?
C4 N1 C1 C2 0.5(10) . . . . ?
C4 N1 C1 C16 -178.8(9) . . . . ?
C4 C5 C6 C7 -0.7(17) . . . . ?
C5 C4 C3 C2 -178.6(9) . . . . ?
C5 C4 C3 C8 0.9(14) . . . . ?
C5 C6 C7 C8 -0.6(16) . . . . ?
C5 C6 C7 C9 -179.6(10) . . . . ?
C6 C7 C8 C3 2.1(14) . . . . ?
C6 C7 C9 C10 -171.6(11) . . . . ?
C6 C7 C9 C11 67.9(14) . . . . ?
C6 C7 C9 C12 -49.7(14) . . . . ?
C7 C8 C3 C2 177.0(9) . . . . ?
C7 C8 C3 C4 -2.3(14) . . . . ?
C8 C7 C9 C10 9.5(15) . . . . ?
C8 C7 C9 C11 -111.0(13) . . . . ?
C8 C7 C9 C12 131.4(12) . . . . ?
C9 C7 C8 C3 -179.0(9) . . . . ?
C14 C15 C16 C17 -175.4(10) . . . . ?
C14 C15 C16 C1 2.0(15) . . . . ?
C15 C14 C37 C38 -68(2) . . . . ?
C15 C14 C37 C39 166.4(19) . . . . ?
C15 C14 C37 C57 48(3) . . . . ?
C15 C14 C13 C2 -2.6(15) . . . . ?
C15 C14 C37A C38A -28(2) . . . . ?
C15 C14 C37A C57A 88.3(18) . . . . ?
C15 C14 C37A C39A -151.7(16) . . . . ?
C15 C16 C17 C36 -63.4(13) . . . . ?
C15 C16 C17 C18 117.8(10) . . . . ?
C15 C16 C1 N1 174.3(9) . . . . ?
C15 C16 C1 C2 -4.9(13) . . . . ?
C16 C17 C36 C35 -173.1(8) . . . . ?
C16 C17 C18 C19 175.9(8) . . . . ?
C17 C16 C1 N1 -8.4(15) . . . . ?
C17 C16 C1 C2 172.4(8) . . . . ?
C17 C36 C35 C20 -2.9(14) . . . . ?
C36 C17 C18 C19 -3.0(13) . . . . ?
C36 C35 C20 C19 -2.8(14) . . . . ?
C36 C35 C20 C21 174.8(9) . . . . ?
C35 C20 C19 C26 -176.5(9) . . . . ?
C35 C20 C19 C18 5.4(13) . . . . ?
C35 C20 C21 N2 2.7(14) . . . . ?
C35 C20 C21 C24 -174.5(9) . . . . ?
C20 C19 C26 C27 172.1(10) . . . . ?
C20 C19 C26 C25 -8.9(14) . . . . ?
C20 C19 C18 C17 -2.5(13) . . . . ?
C19 C20 C21 N2 -179.6(9) . . . . ?
C19 C20 C21 C24 3.2(13) . . . . ?
C19 C26 C27 C28 177.8(11) . . . . ?
C19 C26 C25 C30 -178.0(10) . . . . ?
C19 C26 C25 C24 3.0(14) . . . . ?
C26 C19 C18 C17 179.4(8) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C26 C25 C24 N3 -176.1(9) . . . . ?
C26 C25 C24 C21 5.5(15) . . . . ?
C27 C26 C25 C30 1.0(15) . . . . ?
C27 C26 C25 C24 -177.9(10) . . . . ?
C27 C28 C29 C30 -1(2) . . . . ?
C28 C29 C30 C25 1(2) . . . . ?
C29 C30 C25 C26 -1.0(19) . . . . ?
C29 C30 C25 C24 178.0(12) . . . . ?
C30 C25 C24 N3 5.0(16) . . . . ?
C30 C25 C24 C21 -173.3(10) . . . . ?
C25 C26 C27 C28 -1.2(17) . . . . ?
C25 C24 C21 N2 174.1(10) . . . . ?
C25 C24 C21 C20 -8.8(14) . . . . ?
C24 N3 C23 C22 2.6(17) . . . . ?
C24 N3 C23 C31 -178.7(10) . . . . ?
C23 N3 C24 C25 -176.9(10) . . . . ?
C23 N3 C24 C21 1.4(15) . . . . ?
C23 C22 C34 C33 4(2) . . . . ?
C22 N2 C21 C20 -174.5(9) . . . . ?
C22 N2 C21 C24 2.7(15) . . . . ?
C22 C23 C31 C32 1.9(19) . . . . ?
C22 C34 C33 C32 0(2) . . . . ?
C34 C33 C32 C31 -2(3) . . . . ?
C33 C32 C31 C23 2(2) . . . . ?
C31 C23 C22 N2 177.1(11) . . . . ?
C31 C23 C22 C34 -4.8(17) . . . . ?
C21 N2 C22 C23 1.3(15) . . . . ?
C21 N2 C22 C34 -176.9(11) . . . . ?
C21 C20 C19 C26 5.8(13) . . . . ?
C21 C20 C19 C18 -172.3(8) . . . . ?
C37 C14 C15 C16 173.6(15) . . . . ?
C37 C14 C13 C2 -174.2(15) . . . . ?
C42 C43 C49 C50 -2.5(17) . . . . ?
C42 C43 C44 N5 0.9(12) . . . . ?
C42 C43 C44 C48 -176.0(10) . . . . ?
C42 C41 C40 N4 -1.6(13) . . . . ?
C42 C41 C40 C52 175.9(11) . . . . ?
C1 N1 C4 C5 178.6(10) . . . . ?
C1 N1 C4 C3 -0.8(10) . . . . ?
C1 C2 C13 C14 -0.5(15) . . . . ?
C1 C2 C3 C4 -0.5(9) . . . . ?
C1 C2 C3 C8 -179.9(10) . . . . ?
C1 C16 C17 C36 119.3(10) . . . . ?
C1 C16 C17 C18 -59.5(12) . . . . ?
C13 C2 C1 N1 -175.1(8) . . . . ?
C13 C2 C1 C16 4.3(13) . . . . ?
C13 C2 C3 C4 173.8(10) . . . . ?
C13 C2 C3 C8 -5.6(18) . . . . ?
C13 C14 C15 C16 1.8(16) . . . . ?
C13 C14 C37 C38 103(2) . . . . ?
C13 C14 C37 C39 -22(3) . . . . ?
C13 C14 C37 C57 -141.1(19) . . . . ?
C13 C14 C37A C38A 160.0(16) . . . . ?
C13 C14 C37A C57A -83.6(19) . . . . ?
C13 C14 C37A C39A 36(2) . . . . ?
C3 C2 C1 N1 0.1(10) . . . . ?
C3 C2 C1 C16 179.4(8) . . . . ?
C3 C2 C13 C14 -174.0(10) . . . . ?
C3 C4 C5 C6 0.6(15) . . . . ?
C18 C17 C36 C35 5.7(13) . . . . ?
C18 C19 C26 C27 -9.9(15) . . . . ?
C18 C19 C26 C25 169.2(9) . . . . ?
C37A C14 C15 C16 -170.5(13) . . . . ?
C37A C14 C13 C2 169.6(13) . . . . ?

_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_cxy3329_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2d164t
_database_code_depnum_ccdc_archive 'CCDC 2205685'
loop_
_audit_author_name
_audit_author_address
'Xiaoyong Chang'
;Department of Chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2022-09-07 deposited with the CCDC.	2024-06-11 downloaded from the CCDC.
;
_audit_creation_date             2021-07-08
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
# start Validation Reply Form
_vrf_PLAT971_cxy3329_0m          
;
PROBLEM: Check Calcd Resid. Dens. 0.97A From Pt2 4.15 eA-3
RESPONSE: It is believed that the high residual density 
is caused by truncation effects of heavy metal atom.
;
# end Validation Reply Form
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C92 H78 N8 Pt2, 2.5(C H2 Cl2)'
_chemical_formula_sum            'C94.50 H83 Cl5 N8 Pt2'
_chemical_formula_weight         1898.11
_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'
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      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                   10.4337(9)
_cell_length_b                   14.7984(12)
_cell_length_c                   26.389(2)
_cell_angle_alpha                80.853(3)
_cell_angle_beta                 86.481(4)
_cell_angle_gamma                87.970(3)
_cell_volume                     4013.8(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9772
_cell_measurement_temperature    100
_cell_measurement_theta_max      68.39
_cell_measurement_theta_min      3.03
_shelx_estimated_absorpt_T_max   0.592
_shelx_estimated_absorpt_T_min   0.131
_exptl_absorpt_coefficient_mu    8.368
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.3821
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1438 before and 0.0862 after correction.
The Ratio of minimum to maximum transmission is 0.5074.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1894
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0687
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            71318
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.962
_diffrn_reflns_theta_min         3.026
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker PHOTON 100 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker CMOS area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_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           1.11
_diffrn_source_power             0.0555
_diffrn_source_type              'Incoatec I\ms'
_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                13645
_reflns_number_total             14704
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         4.410
_refine_diff_density_min         -1.782
_refine_diff_density_rms         0.221
_refine_ls_extinction_coef       0.00031(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1020
_refine_ls_number_reflns         14704
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0622
_refine_ls_R_factor_gt           0.0594
_refine_ls_restrained_S_all      1.029
_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)+(0.1067P)²+29.1747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1686
_refine_ls_wR_factor_ref         0.1711
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Cl6-C95 = Cl6A-C95A = Cl5-C95A = Cl5-C95
 1.79 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Cl6) = Uanis(Cl6A)
Uanis(C95) = Uanis(C95A)
4. Others
 Sof(C95A)=Sof(H95C)=Sof(H95D)=Sof(Cl6A)=1-FVAR(1)
 Sof(Cl6)=Sof(C95)=Sof(H95A)=Sof(H95B)=FVAR(1)
 Fixed Sof: Cl1(0.5) Cl2(0.5) C93(0.5) H93A(0.5) H93B(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C93(H93A,H93B), C94(H94A,H94B), C95(H95A,H95B), C95A(H95C,H95D)
5.b Aromatic/amide H refined with riding coordinates:
 C71(H71), C27(H27), C13(H13), C52(H52), C15(H15), C18(H18), C65(H65),
 C85(H85), C66(H66), C60(H60), C41(H41), C91(H91), C82(H82), C8(H8), C46(H46),
 C72(H72), C6(H6), C59(H59), C86(H86), C39(H39), C44(H44), C88(H88), C37(H37),
 C67(H67), C90(H90), C89(H89), C70(H70), C43(H43), C36(H36), C38(H38), C69(H69),
  C68(H68), C50(H50), C57(H57), C92(H92), C40(H40), C45(H45), C5(H5), C83(H83),
 C87(H87), C84(H84), C42(H42)
5.c Idealised Me refined as rotating group:
 C74(H74A,H74B,H74C), C75(H75A,H75B,H75C), C10(H10A,H10B,H10C), C76(H76A,H76B,
 H76C), C54(H54A,H54B,H54C), C11(H11A,H11B,H11C), C55(H55A,H55B,H55C), C62(H62A,
 H62B,H62C), C63(H63A,H63B,H63C), C12(H12A,H12B,H12C), C56(H56A,H56B,H56C),
 C64(H64A,H64B,H64C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.57843(3) 0.46832(2) 0.15959(2) 0.02043(12) Uani 1 1 d . . . . .
Pt2 Pt -0.03227(3) 0.56454(2) 0.32362(2) 0.02382(12) Uani 1 1 d . . . . .
N5 N -0.0308(6) 0.6390(4) 0.2515(2) 0.0261(12) Uani 1 1 d . . . . .
N3 N 0.1891(6) 0.2242(4) 0.3079(2) 0.0293(13) Uani 1 1 d . . . . .
N7 N 0.5977(5) 0.5232(4) 0.2246(2) 0.0243(12) Uani 1 1 d . . . . .
N6 N -0.0556(6) 0.4580(5) 0.3822(3) 0.0334(15) Uani 1 1 d . . . . .
N2 N 0.1817(6) 0.2620(4) 0.1997(2) 0.0297(13) Uani 1 1 d . . . . .
N4 N 0.0312(6) 0.6669(4) 0.3648(2) 0.0248(12) Uani 1 1 d . . . . .
N1 N 0.5877(6) 0.5903(4) 0.1029(2) 0.0244(12) Uani 1 1 d . . . . .
N8 N 0.5517(5) 0.3774(4) 0.1122(2) 0.0231(12) Uani 1 1 d . . . . .
C71 C 0.2440(7) 0.4374(5) 0.1462(3) 0.0254(14) Uani 1 1 d . . . . .
H71 H 0.220178 0.392528 0.126724 0.030 Uiso 1 1 calc R U . . .
C14 C 0.3812(6) 0.8379(4) 0.0871(3) 0.0226(13) Uani 1 1 d . . . . .
C24 C 0.2151(7) 0.3066(4) 0.2823(3) 0.0240(14) Uani 1 1 d . . . . .
C21 C 0.2092(7) 0.3263(4) 0.2272(3) 0.0245(14) Uani 1 1 d . . . . .
C29 C 0.2446(7) 0.6020(5) 0.3963(3) 0.0238(14) Uani 1 1 d . . . . .
C26 C 0.2537(6) 0.4699(4) 0.2852(3) 0.0229(14) Uani 1 1 d . . . . .
C27 C 0.2556(6) 0.5405(4) 0.3144(3) 0.0198(13) Uani 1 1 d . . . . .
H27 H 0.259742 0.601963 0.297363 0.024 Uiso 1 1 calc R U . . .
C13 C 0.5066(7) 0.8296(4) 0.0672(3) 0.0234(14) Uani 1 1 d . . . . .
H13 H 0.548348 0.881905 0.048881 0.028 Uiso 1 1 calc R U . . .
C49 C 0.1443(7) 0.7448(4) 0.4156(3) 0.0236(14) Uani 1 1 d . . . . .
C52 C 0.3382(6) 0.6145(4) 0.4296(3) 0.0228(13) Uani 1 1 d . . . . .
H52 H 0.405007 0.569197 0.434860 0.027 Uiso 1 1 calc R U . . .
C23 C 0.1542(8) 0.1602(5) 0.2807(3) 0.0343(17) Uani 1 1 d . . . . .
C30 C 0.1412(7) 0.6673(4) 0.3911(3) 0.0235(14) Uani 1 1 d . . . . .
C20 C 0.2372(6) 0.4184(4) 0.2003(3) 0.0218(13) Uani 1 1 d . . . . .
C34 C -0.0898(8) 0.3810(5) 0.3108(3) 0.0311(16) Uani 1 1 d . . . . .
C31 C -0.0557(7) 0.5902(6) 0.2129(3) 0.0330(16) Uani 1 1 d . . . . .
C48 C 0.0266(7) 0.7972(5) 0.4035(3) 0.0240(14) Uani 1 1 d . . . . .
C4 C 0.6971(7) 0.6166(5) 0.0738(2) 0.0225(13) Uani 1 1 d . . . . .
C15 C 0.3228(7) 0.7592(5) 0.1155(3) 0.0229(13) Uani 1 1 d . . . . .
H15 H 0.238462 0.765668 0.130432 0.028 Uiso 1 1 calc R U . . .
C28 C 0.2518(6) 0.5236(5) 0.3676(3) 0.0237(14) Uani 1 1 d . . . . .
C18 C 0.2995(7) 0.5736(4) 0.2022(3) 0.0230(14) Uani 1 1 d . . . . .
H18 H 0.315436 0.620996 0.221157 0.028 Uiso 1 1 calc R U . . .
C17 C 0.3159(6) 0.5906(4) 0.1492(3) 0.0204(13) Uani 1 1 d . . . . .
C65 C 0.2556(7) 0.4325(5) 0.3926(3) 0.0270(15) Uani 1 1 d . . . . .
H65 H 0.263876 0.419589 0.428681 0.032 Uiso 1 1 calc R U . . .
C3 C 0.6959(6) 0.7103(4) 0.0560(3) 0.0215(13) Uani 1 1 d . . . . .
C85 C 0.5075(8) 0.2214(5) 0.1083(3) 0.0331(17) Uani 1 1 d . . . . .
H85 H 0.494515 0.160460 0.125145 0.040 Uiso 1 1 calc R U . . .
C81 C 0.5346(7) 0.2880(5) 0.1367(3) 0.0289(15) Uani 1 1 d . . . . .
C77 C 0.5851(7) 0.4617(5) 0.2695(3) 0.0283(15) Uani 1 1 d . . . . .
C51 C 0.3407(7) 0.6896(5) 0.4561(3) 0.0257(14) Uani 1 1 d . . . . .
C66 C 0.2472(7) 0.3620(5) 0.3649(3) 0.0265(14) Uani 1 1 d . . . . .
H66 H 0.246254 0.300536 0.382125 0.032 Uiso 1 1 calc R U . . .
C60 C -0.1572(7) 0.7771(5) 0.3548(3) 0.0261(14) Uani 1 1 d . . . . .
H60 H -0.202472 0.743780 0.334034 0.031 Uiso 1 1 calc R U . . .
C16 C 0.3822(6) 0.6735(4) 0.1226(2) 0.0201(13) Uani 1 1 d . . . . .
C32 C -0.0782(7) 0.4929(6) 0.2318(3) 0.0304(16) Uani 1 1 d . . . . .
C7 C 0.9008(7) 0.6982(5) 0.0092(3) 0.0249(14) Uani 1 1 d . . . . .
C41 C -0.1174(8) 0.3343(6) 0.2291(3) 0.0370(19) Uani 1 1 d . . . . .
H41 H -0.133914 0.287357 0.209825 0.044 Uiso 1 1 calc R U . . .
C80 C 0.5403(8) 0.2775(5) 0.1932(3) 0.0315(16) Uani 1 1 d . . . . .
C91 C 0.6209(7) 0.6441(5) 0.2730(3) 0.0305(16) Uani 1 1 d . . . . .
H91 H 0.631636 0.707473 0.273461 0.037 Uiso 1 1 calc R U . . .
C82 C 0.5447(7) 0.3959(5) 0.0604(3) 0.0259(14) Uani 1 1 d . . . . .
H82 H 0.559402 0.456501 0.043489 0.031 Uiso 1 1 calc R U . . .
C35 C -0.0728(8) 0.3750(5) 0.3663(3) 0.0315(16) Uani 1 1 d . . . . .
C79 C 0.5581(7) 0.3610(6) 0.2097(3) 0.0316(17) Uani 1 1 d . . . . .
C8 C 0.7969(6) 0.7515(4) 0.0229(3) 0.0223(13) Uani 1 1 d . . . . .
H8 H 0.793186 0.815283 0.010249 0.027 Uiso 1 1 calc R U . . .
C46 C -0.0110(7) 0.7291(5) 0.2402(3) 0.0283(15) Uani 1 1 d . . . . .
H46 H 0.008574 0.762151 0.266641 0.034 Uiso 1 1 calc R U . . .
C22 C 0.1503(8) 0.1795(5) 0.2264(3) 0.0335(17) Uani 1 1 d . . . . .
C72 C 0.2850(7) 0.5212(5) 0.1217(3) 0.0249(14) Uani 1 1 d . . . . .
H72 H 0.292767 0.532507 0.085158 0.030 Uiso 1 1 calc R U . . .
C6 C 0.9003(7) 0.6031(5) 0.0286(3) 0.0233(14) Uani 1 1 d . . . . .
H6 H 0.971185 0.566145 0.018934 0.028 Uiso 1 1 calc R U . . .
C74 C 0.3776(8) 1.0042(5) 0.0977(4) 0.0372(18) Uani 1 1 d . . . . .
H74A H 0.465217 1.008873 0.082015 0.056 Uiso 1 1 calc R U . . .
H74B H 0.380736 0.987534 0.135020 0.056 Uiso 1 1 calc R U . . .
H74C H 0.331860 1.063253 0.089577 0.056 Uiso 1 1 calc R U . . .
C19 C 0.2601(6) 0.4886(4) 0.2288(3) 0.0213(13) Uani 1 1 d . . . . .
C59 C -0.2083(7) 0.8585(5) 0.3680(3) 0.0300(15) Uani 1 1 d . . . . .
H59 H -0.288608 0.880599 0.355247 0.036 Uiso 1 1 calc R U . . .
C25 C 0.2400(7) 0.3800(5) 0.3111(3) 0.0238(14) Uani 1 1 d . . . . .
C86 C 0.5237(8) 0.1981(5) 0.2296(3) 0.0344(17) Uani 1 1 d . . . . .
H86 H 0.510892 0.140797 0.219081 0.041 Uiso 1 1 calc R U . . .
C75 C 0.1709(7) 0.9272(5) 0.1011(3) 0.0348(18) Uani 1 1 d . . . . .
H75A H 0.131610 0.988907 0.096462 0.052 Uiso 1 1 calc R U . . .
H75B H 0.173707 0.903613 0.137865 0.052 Uiso 1 1 calc R U . . .
H75C H 0.119885 0.886787 0.084730 0.052 Uiso 1 1 calc R U . . .
C39 C -0.0704(8) 0.2935(6) 0.4005(3) 0.0344(17) Uani 1 1 d . . . . .
H39 H -0.081031 0.236799 0.388943 0.041 Uiso 1 1 calc R U . . .
C44 C -0.0422(8) 0.7257(6) 0.1512(3) 0.0390(19) Uani 1 1 d . . . . .
H44 H -0.046454 0.755554 0.116678 0.047 Uiso 1 1 calc R U . . .
C61 C -0.2143(8) 0.9975(5) 0.4131(4) 0.0399(19) Uani 1 1 d . . . . .
C88 C 0.5476(7) 0.2880(6) 0.2983(3) 0.0327(17) Uani 1 1 d . . . . .
H88 H 0.550478 0.290923 0.333948 0.039 Uiso 1 1 calc R U . . .
C10 C 1.0183(9) 0.6928(6) -0.0764(3) 0.0380(18) Uani 1 1 d . . . . .
H10A H 1.090882 0.716866 -0.099288 0.057 Uiso 1 1 calc R U . . .
H10B H 0.938097 0.707776 -0.093705 0.057 Uiso 1 1 calc R U . . .
H10C H 1.028654 0.626233 -0.067505 0.057 Uiso 1 1 calc R U . . .
C37 C -0.0396(9) 0.3799(6) 0.4681(3) 0.0376(18) Uani 1 1 d . . . . .
H37 H -0.031405 0.383300 0.503369 0.045 Uiso 1 1 calc R U . . .
C76 C 0.2992(8) 0.9578(5) 0.0182(3) 0.0335(17) Uani 1 1 d . . . . .
H76A H 0.385997 0.964119 0.001905 0.050 Uiso 1 1 calc R U . . .
H76B H 0.251454 1.016206 0.010857 0.050 Uiso 1 1 calc R U . . .
H76C H 0.254760 0.910307 0.004648 0.050 Uiso 1 1 calc R U . . .
C67 C 0.1179(10) 0.0726(5) 0.3066(4) 0.044(2) Uani 1 1 d . . . . .
H67 H 0.122466 0.058242 0.342812 0.052 Uiso 1 1 calc R U . . .
C54 C 0.5808(7) 0.6873(6) 0.4667(3) 0.0337(17) Uani 1 1 d . . . . .
H54A H 0.588712 0.733982 0.435930 0.051 Uiso 1 1 calc R U . . .
H54B H 0.594235 0.626395 0.456862 0.051 Uiso 1 1 calc R U . . .
H54C H 0.645542 0.696955 0.490563 0.051 Uiso 1 1 calc R U . . .
C11 C 1.1415(7) 0.7126(6) -0.0003(4) 0.0380(18) Uani 1 1 d . . . . .
H11A H 1.153134 0.645899 0.007522 0.057 Uiso 1 1 calc R U . . .
H11B H 1.138669 0.738625 0.031620 0.057 Uiso 1 1 calc R U . . .
H11C H 1.213271 0.738174 -0.023172 0.057 Uiso 1 1 calc R U . . .
C90 C 0.6106(8) 0.5833(6) 0.3181(3) 0.0367(18) Uani 1 1 d . . . . .
H90 H 0.615429 0.603963 0.350214 0.044 Uiso 1 1 calc R U . . .
C53 C 0.4448(8) 0.6946(5) 0.4932(3) 0.0321(16) Uani 1 1 d . . . . .
C89 C 0.5932(7) 0.4915(6) 0.3162(3) 0.0318(16) Uani 1 1 d . . . . .
H89 H 0.586670 0.448817 0.347162 0.038 Uiso 1 1 calc R U . . .
C55 C 0.4368(9) 0.7819(6) 0.5175(4) 0.041(2) Uani 1 1 d . . . . .
H55A H 0.501502 0.778382 0.543156 0.062 Uiso 1 1 calc R U . . .
H55B H 0.351095 0.788387 0.534039 0.062 Uiso 1 1 calc R U . . .
H55C H 0.452844 0.834962 0.490723 0.062 Uiso 1 1 calc R U . . .
C70 C 0.1096(10) 0.1109(6) 0.1989(4) 0.050(2) Uani 1 1 d . . . . .
H70 H 0.109660 0.122412 0.162403 0.060 Uiso 1 1 calc R U . . .
C43 C -0.0591(8) 0.6338(6) 0.1630(3) 0.0388(19) Uani 1 1 d . . . . .
H43 H -0.073381 0.599538 0.136443 0.047 Uiso 1 1 calc R U . . .
C36 C -0.0395(9) 0.4582(6) 0.4318(3) 0.0376(19) Uani 1 1 d . . . . .
H36 H -0.027289 0.515211 0.442779 0.045 Uiso 1 1 calc R U . . .
C38 C -0.0521(9) 0.2961(6) 0.4517(3) 0.0390(19) Uani 1 1 d . . . . .
H38 H -0.048127 0.240950 0.475587 0.047 Uiso 1 1 calc R U . . .
C62 C -0.1339(8) 1.0436(5) 0.4484(4) 0.041(2) Uani 1 1 d . . . . .
H62A H -0.049207 1.057764 0.431367 0.061 Uiso 1 1 calc R U . . .
H62B H -0.123470 1.001971 0.480775 0.061 Uiso 1 1 calc R U . . .
H62C H -0.177747 1.100247 0.455468 0.061 Uiso 1 1 calc R U . . .
C63 C -0.2356(10) 1.0641(6) 0.3648(5) 0.056(3) Uani 1 1 d . . . . .
H63A H -0.277476 1.120208 0.373869 0.084 Uiso 1 1 calc R U . . .
H63B H -0.290497 1.036698 0.342884 0.084 Uiso 1 1 calc R U . . .
H63C H -0.152797 1.078919 0.346367 0.084 Uiso 1 1 calc R U . . .
C69 C 0.0705(12) 0.0285(6) 0.2254(4) 0.059(3) Uani 1 1 d . . . . .
H69 H 0.039041 -0.015926 0.207275 0.071 Uiso 1 1 calc R U . . .
C68 C 0.0763(12) 0.0088(6) 0.2796(4) 0.059(3) Uani 1 1 d . . . . .
H68 H 0.051124 -0.049385 0.297332 0.071 Uiso 1 1 calc R U . . .
C58 C -0.1467(7) 0.9097(5) 0.3994(3) 0.0277(15) Uani 1 1 d . . . . .
C2 C 0.5721(7) 0.7444(4) 0.0740(3) 0.0216(13) Uani 1 1 d . . . . .
C50 C 0.2444(7) 0.7570(5) 0.4470(3) 0.0251(14) Uani 1 1 d . . . . .
H50 H 0.246356 0.811056 0.462089 0.030 Uiso 1 1 calc R U . . .
C33 C -0.0761(6) 0.4705(5) 0.2856(3) 0.0273(15) Uani 1 1 d . . . . .
C57 C -0.0280(7) 0.8783(5) 0.4166(3) 0.0255(14) Uani 1 1 d . . . . .
H57 H 0.016464 0.912166 0.437410 0.031 Uiso 1 1 calc R U . . .
C78 C 0.5648(7) 0.3676(5) 0.2615(3) 0.0299(16) Uani 1 1 d . . . . .
C92 C 0.6155(7) 0.6118(5) 0.2272(3) 0.0278(15) Uani 1 1 d . . . . .
H92 H 0.624716 0.653845 0.196051 0.033 Uiso 1 1 calc R U . . .
C40 C -0.1120(7) 0.3129(6) 0.2818(4) 0.0353(18) Uani 1 1 d . . . . .
H40 H -0.123496 0.251575 0.298281 0.042 Uiso 1 1 calc R U . . .
C1 C 0.5083(6) 0.6666(4) 0.1024(2) 0.0205(13) Uani 1 1 d . . . . .
C47 C -0.0378(7) 0.7447(4) 0.3727(3) 0.0221(13) Uani 1 1 d . . . . .
C9 C 1.0140(7) 0.7362(5) -0.0271(3) 0.0275(15) Uani 1 1 d . . . . .
C45 C -0.0190(8) 0.7750(6) 0.1896(3) 0.0382(18) Uani 1 1 d . . . . .
H45 H -0.008547 0.839365 0.182033 0.046 Uiso 1 1 calc R U . . .
C5 C 0.8035(6) 0.5611(4) 0.0606(2) 0.0203(13) Uani 1 1 d . . . . .
H5 H 0.807781 0.497367 0.073286 0.024 Uiso 1 1 calc R U . . .
C83 C 0.5175(8) 0.3312(5) 0.0318(3) 0.0345(17) Uani 1 1 d . . . . .
H83 H 0.511388 0.347169 -0.004292 0.041 Uiso 1 1 calc R U . . .
C87 C 0.5265(8) 0.2051(5) 0.2817(3) 0.0366(18) Uani 1 1 d . . . . .
H87 H 0.513516 0.151811 0.306620 0.044 Uiso 1 1 calc R U . . .
C12 C 1.0021(7) 0.8395(5) -0.0419(3) 0.0328(17) Uani 1 1 d . . . . .
H12A H 1.075558 0.861511 -0.064904 0.049 Uiso 1 1 calc R U . . .
H12B H 1.000561 0.868218 -0.010827 0.049 Uiso 1 1 calc R U . . .
H12C H 0.922363 0.855564 -0.059425 0.049 Uiso 1 1 calc R U . . .
C84 C 0.4987(8) 0.2418(6) 0.0556(3) 0.0370(18) Uani 1 1 d . . . . .
H84 H 0.480273 0.195533 0.036078 0.044 Uiso 1 1 calc R U . . .
C56 C 0.4293(8) 0.6133(6) 0.5375(3) 0.0335(17) Uani 1 1 d . . . . .
H56A H 0.433688 0.555839 0.523367 0.050 Uiso 1 1 calc R U . . .
H56B H 0.346076 0.619149 0.556138 0.050 Uiso 1 1 calc R U . . .
H56C H 0.498388 0.613466 0.560993 0.050 Uiso 1 1 calc R U . . .
C42 C -0.0991(8) 0.4230(6) 0.2034(4) 0.0382(19) Uani 1 1 d . . . . .
H42 H -0.100854 0.435980 0.167033 0.046 Uiso 1 1 calc R U . . .
C73 C 0.3074(7) 0.9309(5) 0.0764(3) 0.0273(15) Uani 1 1 d . . . . .
C64 C -0.3449(9) 0.9731(8) 0.4416(5) 0.067(3) Uani 1 1 d . . . . .
H64A H -0.332082 0.924759 0.470928 0.100 Uiso 1 1 calc R U . . .
H64B H -0.401861 0.951648 0.418079 0.100 Uiso 1 1 calc R U . . .
H64C H -0.383664 1.027554 0.453816 0.100 Uiso 1 1 calc R U . . .
Cl1 Cl 0.2112(7) 0.1475(5) 0.4507(3) 0.0855(19) Uani 0.5 1 d . . P . .
Cl2 Cl 0.3088(9) -0.0143(5) 0.4088(4) 0.099(2) Uani 0.5 1 d . . P . .
C93 C 0.323(2) 0.1059(15) 0.4062(9) 0.060(6) Uani 0.5 1 d . . P . .
H93A H 0.411344 0.119248 0.414109 0.071 Uiso 0.5 1 calc R U P . .
H93B H 0.307670 0.137493 0.371019 0.071 Uiso 0.5 1 calc R U P . .
Cl3 Cl 0.7127(4) 0.9115(3) 0.22627(14) 0.0950(11) Uani 1 1 d . . . . .
Cl4 Cl 0.7682(3) 0.9566(2) 0.11573(13) 0.0807(9) Uani 1 1 d . . . . .
C94 C 0.6826(11) 0.8856(8) 0.1667(5) 0.065(3) Uani 1 1 d . . . . .
H94A H 0.589365 0.893083 0.161666 0.078 Uiso 1 1 calc R U . . .
H94B H 0.707425 0.820721 0.165537 0.078 Uiso 1 1 calc R U . . .
Cl5 Cl 0.3351(4) 0.8156(2) 0.24438(14) 0.0809(9) Uani 1 1 d D . . . .
Cl6 Cl 0.4310(6) 0.9184(5) 0.3211(3) 0.1049(17) Uani 0.704(7) 1 d D . P A 1
C95 C 0.3411(17) 0.8241(15) 0.3091(6) 0.072(5) Uani 0.704(7) 1 d D . P A 1
H95A H 0.379586 0.766724 0.327117 0.086 Uiso 0.704(7) 1 calc R U P A 1
H95B H 0.252281 0.830206 0.323881 0.086 Uiso 0.704(7) 1 calc R U P A 1
C95A C 0.305(3) 0.842(5) 0.3069(12) 0.072(5) Uani 0.296(7) 1 d D . P A 2
H95C H 0.238126 0.802780 0.326571 0.086 Uiso 0.296(7) 1 calc R U P A 2
H95D H 0.277544 0.907338 0.306043 0.086 Uiso 0.296(7) 1 calc R U P A 2
Cl6A Cl 0.4574(14) 0.8193(12) 0.3332(6) 0.1049(17) Uani 0.296(7) 1 d D . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N7 2.035(6) . ?
Pt1 N1 2.155(6) . ?
Pt1 N8 2.013(6) . ?
Pt1 C79 1.907(8) . ?
Pt2 N5 2.042(6) . ?
Pt2 N6 2.035(7) . ?
Pt2 N4 2.144(6) . ?
Pt2 C33 1.923(8) . ?
N5 C31 1.381(10) . ?
N5 C46 1.339(10) . ?
N3 C24 1.325(9) . ?
N3 C23 1.350(10) . ?
N7 C77 1.377(10) . ?
N7 C92 1.344(9) . ?
N6 C35 1.380(10) . ?
N6 C36 1.330(11) . ?
N2 C21 1.333(9) . ?
N2 C22 1.349(10) . ?
N4 C30 1.377(9) . ?
N4 C47 1.374(9) . ?
N1 C4 1.367(9) . ?
N1 C1 1.375(9) . ?
N8 C81 1.389(9) . ?
N8 C82 1.357(9) . ?
C71 H71 0.9500 . ?
C71 C20 1.408(10) . ?
C71 C72 1.374(10) . ?
C14 C13 1.388(10) . ?
C14 C15 1.416(9) . ?
C14 C73 1.548(9) . ?
C24 C21 1.441(10) . ?
C24 C25 1.460(10) . ?
C21 C20 1.464(9) . ?
C29 C52 1.389(10) . ?
C29 C30 1.422(10) . ?
C29 C28 1.480(10) . ?
C26 C27 1.396(9) . ?
C26 C19 1.468(10) . ?
C26 C25 1.404(9) . ?
C27 H27 0.9500 . ?
C27 C28 1.384(10) . ?
C13 H13 0.9500 . ?
C13 C2 1.403(9) . ?
C49 C30 1.406(9) . ?
C49 C48 1.453(10) . ?
C49 C50 1.406(10) . ?
C52 H52 0.9500 . ?
C52 C51 1.406(10) . ?
C23 C22 1.418(12) . ?
C23 C67 1.419(11) . ?
C20 C19 1.411(9) . ?
C34 C35 1.474(11) . ?
C34 C33 1.392(11) . ?
C34 C40 1.392(11) . ?
C31 C32 1.468(11) . ?
C31 C43 1.373(12) . ?
C48 C57 1.394(10) . ?
C48 C47 1.422(10) . ?
C4 C3 1.392(9) . ?
C4 C5 1.417(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(9) . ?
C28 C65 1.403(10) . ?
C18 H18 0.9500 . ?
C18 C17 1.382(10) . ?
C18 C19 1.401(9) . ?
C17 C16 1.484(9) . ?
C17 C72 1.405(10) . ?
C65 H65 0.9500 . ?
C65 C66 1.375(10) . ?
C3 C8 1.416(9) . ?
C3 C2 1.451(9) . ?
C85 H85 0.9500 . ?
C85 C81 1.376(11) . ?
C85 C84 1.384(12) . ?
C81 C80 1.478(11) . ?
C77 C89 1.382(11) . ?
C77 C78 1.466(11) . ?
C51 C53 1.517(11) . ?
C51 C50 1.394(10) . ?
C66 H66 0.9500 . ?
C66 C25 1.408(10) . ?
C60 H60 0.9500 . ?
C60 C59 1.385(10) . ?
C60 C47 1.400(10) . ?
C16 C1 1.395(10) . ?
C32 C33 1.408(11) . ?
C32 C42 1.400(11) . ?
C7 C8 1.383(10) . ?
C7 C6 1.419(9) . ?
C7 C9 1.538(9) . ?
C41 H41 0.9500 . ?
C41 C40 1.381(13) . ?
C41 C42 1.391(13) . ?
C80 C79 1.396(11) . ?
C80 C86 1.403(10) . ?
C91 H91 0.9500 . ?
C91 C90 1.375(12) . ?
C91 C92 1.373(11) . ?
C82 H82 0.9500 . ?
C82 C83 1.356(11) . ?
C35 C39 1.388(12) . ?
C79 C78 1.393(11) . ?
C8 H8 0.9500 . ?
C46 H46 0.9500 . ?
C46 C45 1.403(11) . ?
C22 C70 1.430(11) . ?
C72 H72 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.375(9) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C74 C73 1.526(11) . ?
C59 H59 0.9500 . ?
C59 C58 1.405(11) . ?
C86 H86 0.9500 . ?
C86 C87 1.398(12) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C75 C73 1.528(10) . ?
C39 H39 0.9500 . ?
C39 C38 1.384(12) . ?
C44 H44 0.9500 . ?
C44 C43 1.360(13) . ?
C44 C45 1.379(12) . ?
C61 C62 1.542(12) . ?
C61 C63 1.504(15) . ?
C61 C58 1.539(10) . ?
C61 C64 1.540(13) . ?
C88 H88 0.9500 . ?
C88 C78 1.411(11) . ?
C88 C87 1.396(12) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C9 1.535(11) . ?
C37 H37 0.9500 . ?
C37 C36 1.381(12) . ?
C37 C38 1.389(12) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C76 C73 1.530(11) . ?
C67 H67 0.9500 . ?
C67 C68 1.366(13) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C54 C53 1.551(11) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C9 1.547(11) . ?
C90 H90 0.9500 . ?
C90 C89 1.387(12) . ?
C53 C55 1.529(11) . ?
C53 C56 1.543(11) . ?
C89 H89 0.9500 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C70 H70 0.9500 . ?
C70 C69 1.367(13) . ?
C43 H43 0.9500 . ?
C36 H36 0.9500 . ?
C38 H38 0.9500 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C69 H69 0.9500 . ?
C69 C68 1.419(15) . ?
C68 H68 0.9500 . ?
C58 C57 1.385(10) . ?
C2 C1 1.432(9) . ?
C50 H50 0.9500 . ?
C57 H57 0.9500 . ?
C92 H92 0.9500 . ?
C40 H40 0.9500 . ?
C9 C12 1.520(10) . ?
C45 H45 0.9500 . ?
C5 H5 0.9500 . ?
C83 H83 0.9500 . ?
C83 C84 1.387(11) . ?
C87 H87 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C84 H84 0.9500 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C42 H42 0.9500 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Cl1 C93 1.77(3) . ?
Cl2 C93 1.78(2) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
Cl3 C94 1.726(13) . ?
Cl4 C94 1.783(12) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
Cl5 C95 1.737(15) . ?
Cl5 C95A 1.77(2) . ?
Cl6 C95 1.787(18) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C95A H95C 0.9900 . ?
C95A H95D 0.9900 . ?
C95A Cl6A 1.78(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N7 Pt1 N1 100.2(2) . . ?
N8 Pt1 N7 161.4(2) . . ?
N8 Pt1 N1 98.3(2) . . ?
C79 Pt1 N7 80.4(3) . . ?
C79 Pt1 N1 176.2(3) . . ?
C79 Pt1 N8 81.0(3) . . ?
N5 Pt2 N4 99.3(2) . . ?
N6 Pt2 N5 160.5(3) . . ?
N6 Pt2 N4 100.2(2) . . ?
C33 Pt2 N5 80.5(3) . . ?
C33 Pt2 N6 80.1(3) . . ?
C33 Pt2 N4 175.8(3) . . ?
C31 N5 Pt2 115.1(5) . . ?
C46 N5 Pt2 125.0(5) . . ?
C46 N5 C31 119.9(6) . . ?
C24 N3 C23 117.5(7) . . ?
C77 N7 Pt1 114.5(5) . . ?
C92 N7 Pt1 126.3(5) . . ?
C92 N7 C77 119.1(6) . . ?
C35 N6 Pt2 114.0(5) . . ?
C36 N6 Pt2 127.2(5) . . ?
C36 N6 C35 118.1(7) . . ?
C21 N2 C22 116.6(7) . . ?
C30 N4 Pt2 129.0(5) . . ?
C47 N4 Pt2 125.0(5) . . ?
C47 N4 C30 105.9(6) . . ?
C4 N1 Pt1 123.2(5) . . ?
C4 N1 C1 107.4(5) . . ?
C1 N1 Pt1 125.7(4) . . ?
C81 N8 Pt1 114.8(5) . . ?
C82 N8 Pt1 126.6(5) . . ?
C82 N8 C81 118.5(6) . . ?
C20 C71 H71 120.1 . . ?
C72 C71 H71 120.1 . . ?
C72 C71 C20 119.8(6) . . ?
C13 C14 C15 118.4(6) . . ?
C13 C14 C73 119.8(6) . . ?
C15 C14 C73 121.7(6) . . ?
N3 C24 C21 121.1(6) . . ?
N3 C24 C25 118.9(6) . . ?
C21 C24 C25 119.8(6) . . ?
N2 C21 C24 121.7(6) . . ?
N2 C21 C20 118.7(6) . . ?
C24 C21 C20 119.6(6) . . ?
C52 C29 C30 117.3(6) . . ?
C52 C29 C28 121.4(6) . . ?
C30 C29 C28 121.3(6) . . ?
C27 C26 C19 121.5(6) . . ?
C27 C26 C25 118.2(6) . . ?
C25 C26 C19 120.3(6) . . ?
C26 C27 H27 119.0 . . ?
C28 C27 C26 122.0(6) . . ?
C28 C27 H27 119.0 . . ?
C14 C13 H13 119.8 . . ?
C14 C13 C2 120.5(6) . . ?
C2 C13 H13 119.8 . . ?
C30 C49 C48 106.1(6) . . ?
C30 C49 C50 121.5(6) . . ?
C50 C49 C48 132.3(6) . . ?
C29 C52 H52 117.8 . . ?
C29 C52 C51 124.3(6) . . ?
C51 C52 H52 117.8 . . ?
N3 C23 C22 121.1(7) . . ?
N3 C23 C67 119.8(8) . . ?
C22 C23 C67 119.2(7) . . ?
N4 C30 C29 129.2(6) . . ?
N4 C30 C49 111.6(6) . . ?
C49 C30 C29 119.1(6) . . ?
C71 C20 C21 120.8(6) . . ?
C71 C20 C19 119.5(6) . . ?
C19 C20 C21 119.7(6) . . ?
C33 C34 C35 110.9(6) . . ?
C33 C34 C40 118.6(8) . . ?
C40 C34 C35 130.4(7) . . ?
N5 C31 C32 113.1(7) . . ?
C43 C31 N5 120.0(7) . . ?
C43 C31 C32 126.9(8) . . ?
C57 C48 C49 134.4(7) . . ?
C57 C48 C47 121.2(6) . . ?
C47 C48 C49 104.4(6) . . ?
N1 C4 C3 111.9(6) . . ?
N1 C4 C5 128.3(6) . . ?
C3 C4 C5 119.8(6) . . ?
C14 C15 H15 118.3 . . ?
C16 C15 C14 123.4(6) . . ?
C16 C15 H15 118.3 . . ?
C27 C28 C29 119.1(6) . . ?
C27 C28 C65 118.8(6) . . ?
C65 C28 C29 122.1(7) . . ?
C17 C18 H18 118.9 . . ?
C17 C18 C19 122.2(6) . . ?
C19 C18 H18 118.9 . . ?
C18 C17 C16 120.9(6) . . ?
C18 C17 C72 118.0(6) . . ?
C72 C17 C16 120.5(6) . . ?
C28 C65 H65 120.0 . . ?
C66 C65 C28 120.1(7) . . ?
C66 C65 H65 120.0 . . ?
C4 C3 C8 121.4(6) . . ?
C4 C3 C2 105.3(6) . . ?
C8 C3 C2 133.0(6) . . ?
C81 C85 H85 119.5 . . ?
C81 C85 C84 121.0(7) . . ?
C84 C85 H85 119.5 . . ?
N8 C81 C80 113.3(6) . . ?
C85 C81 N8 119.6(7) . . ?
C85 C81 C80 127.0(7) . . ?
N7 C77 C89 119.7(7) . . ?
N7 C77 C78 113.8(6) . . ?
C89 C77 C78 126.4(7) . . ?
C52 C51 C53 119.9(6) . . ?
C50 C51 C52 117.4(6) . . ?
C50 C51 C53 122.6(6) . . ?
C65 C66 H66 119.7 . . ?
C65 C66 C25 120.6(6) . . ?
C25 C66 H66 119.7 . . ?
C59 C60 H60 120.5 . . ?
C59 C60 C47 119.0(6) . . ?
C47 C60 H60 120.5 . . ?
C15 C16 C17 122.5(6) . . ?
C15 C16 C1 117.3(6) . . ?
C1 C16 C17 120.2(6) . . ?
C33 C32 C31 113.1(7) . . ?
C42 C32 C31 128.5(8) . . ?
C42 C32 C33 118.4(8) . . ?
C8 C7 C6 117.8(6) . . ?
C8 C7 C9 123.4(6) . . ?
C6 C7 C9 118.8(6) . . ?
C40 C41 H41 119.2 . . ?
C40 C41 C42 121.7(7) . . ?
C42 C41 H41 119.2 . . ?
C79 C80 C81 111.9(6) . . ?
C79 C80 C86 119.5(8) . . ?
C86 C80 C81 128.5(7) . . ?
C90 C91 H91 120.5 . . ?
C92 C91 H91 120.5 . . ?
C92 C91 C90 118.9(7) . . ?
N8 C82 H82 118.7 . . ?
C83 C82 N8 122.7(7) . . ?
C83 C82 H82 118.7 . . ?
N6 C35 C34 114.6(7) . . ?
N6 C35 C39 121.3(7) . . ?
C39 C35 C34 124.1(7) . . ?
C80 C79 Pt1 118.9(6) . . ?
C78 C79 Pt1 119.2(6) . . ?
C78 C79 C80 121.8(8) . . ?
C3 C8 H8 120.3 . . ?
C7 C8 C3 119.5(6) . . ?
C7 C8 H8 120.3 . . ?
N5 C46 H46 119.7 . . ?
N5 C46 C45 120.6(7) . . ?
C45 C46 H46 119.7 . . ?
N2 C22 C23 121.9(7) . . ?
N2 C22 C70 118.5(8) . . ?
C23 C22 C70 119.6(7) . . ?
C71 C72 C17 121.7(7) . . ?
C71 C72 H72 119.1 . . ?
C17 C72 H72 119.1 . . ?
C7 C6 H6 118.0 . . ?
C5 C6 C7 124.0(6) . . ?
C5 C6 H6 118.0 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
C20 C19 C26 120.2(6) . . ?
C18 C19 C26 121.0(6) . . ?
C18 C19 C20 118.6(6) . . ?
C60 C59 H59 118.5 . . ?
C60 C59 C58 122.9(7) . . ?
C58 C59 H59 118.5 . . ?
C26 C25 C24 119.8(6) . . ?
C26 C25 C66 119.5(6) . . ?
C66 C25 C24 120.6(6) . . ?
C80 C86 H86 120.7 . . ?
C87 C86 C80 118.7(8) . . ?
C87 C86 H86 120.7 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
C35 C39 H39 120.5 . . ?
C38 C39 C35 119.0(7) . . ?
C38 C39 H39 120.5 . . ?
C43 C44 H44 120.2 . . ?
C43 C44 C45 119.5(8) . . ?
C45 C44 H44 120.2 . . ?
C63 C61 C62 108.8(7) . . ?
C63 C61 C58 109.9(7) . . ?
C63 C61 C64 109.3(9) . . ?
C58 C61 C62 111.3(7) . . ?
C58 C61 C64 109.3(7) . . ?
C64 C61 C62 108.2(8) . . ?
C78 C88 H88 120.4 . . ?
C87 C88 H88 120.4 . . ?
C87 C88 C78 119.2(7) . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
C36 C37 H37 120.8 . . ?
C36 C37 C38 118.4(8) . . ?
C38 C37 H37 120.8 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
C23 C67 H67 119.9 . . ?
C68 C67 C23 120.2(9) . . ?
C68 C67 H67 119.9 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
C91 C90 H90 120.4 . . ?
C91 C90 C89 119.2(7) . . ?
C89 C90 H90 120.4 . . ?
C51 C53 C54 111.5(6) . . ?
C51 C53 C55 113.6(7) . . ?
C51 C53 C56 108.1(6) . . ?
C55 C53 C54 108.0(7) . . ?
C55 C53 C56 107.0(7) . . ?
C56 C53 C54 108.4(6) . . ?
C77 C89 C90 120.3(7) . . ?
C77 C89 H89 119.9 . . ?
C90 C89 H89 119.9 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C22 C70 H70 120.2 . . ?
C69 C70 C22 119.6(9) . . ?
C69 C70 H70 120.2 . . ?
C31 C43 H43 119.6 . . ?
C44 C43 C31 120.7(8) . . ?
C44 C43 H43 119.6 . . ?
N6 C36 C37 123.4(8) . . ?
N6 C36 H36 118.3 . . ?
C37 C36 H36 118.3 . . ?
C39 C38 C37 119.6(8) . . ?
C39 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C70 C69 H69 119.7 . . ?
C70 C69 C68 120.7(9) . . ?
C68 C69 H69 119.7 . . ?
C67 C68 C69 120.7(8) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 H68 119.7 . . ?
C59 C58 C61 118.6(7) . . ?
C57 C58 C59 118.1(6) . . ?
C57 C58 C61 123.3(7) . . ?
C13 C2 C3 135.0(6) . . ?
C13 C2 C1 119.0(6) . . ?
C1 C2 C3 105.9(6) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 C49 120.0(6) . . ?
C51 C50 H50 120.0 . . ?
C34 C33 Pt2 119.7(6) . . ?
C34 C33 C32 121.9(7) . . ?
C32 C33 Pt2 118.0(6) . . ?
C48 C57 H57 119.9 . . ?
C58 C57 C48 120.2(6) . . ?
C58 C57 H57 119.9 . . ?
C79 C78 C77 112.1(7) . . ?
C79 C78 C88 118.8(7) . . ?
C88 C78 C77 129.1(7) . . ?
N7 C92 C91 122.7(7) . . ?
N7 C92 H92 118.7 . . ?
C91 C92 H92 118.7 . . ?
C34 C40 H40 120.0 . . ?
C41 C40 C34 120.1(8) . . ?
C41 C40 H40 120.0 . . ?
N1 C1 C16 129.2(6) . . ?
N1 C1 C2 109.3(6) . . ?
C16 C1 C2 121.4(6) . . ?
N4 C47 C48 112.1(6) . . ?
N4 C47 C60 129.5(6) . . ?
C60 C47 C48 118.5(6) . . ?
C7 C9 C11 109.6(6) . . ?
C10 C9 C7 109.7(6) . . ?
C10 C9 C11 108.9(7) . . ?
C12 C9 C7 111.6(6) . . ?
C12 C9 C10 108.6(6) . . ?
C12 C9 C11 108.5(6) . . ?
C46 C45 H45 120.4 . . ?
C44 C45 C46 119.2(8) . . ?
C44 C45 H45 120.4 . . ?
C4 C5 H5 121.3 . . ?
C6 C5 C4 117.5(6) . . ?
C6 C5 H5 121.3 . . ?
C82 C83 H83 120.2 . . ?
C82 C83 C84 119.6(8) . . ?
C84 C83 H83 120.2 . . ?
C86 C87 H87 119.0 . . ?
C88 C87 C86 121.9(7) . . ?
C88 C87 H87 119.0 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C85 C84 C83 118.5(7) . . ?
C85 C84 H84 120.8 . . ?
C83 C84 H84 120.8 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C32 C42 H42 120.3 . . ?
C41 C42 C32 119.3(8) . . ?
C41 C42 H42 120.3 . . ?
C74 C73 C14 110.1(6) . . ?
C74 C73 C75 107.6(6) . . ?
C74 C73 C76 109.7(6) . . ?
C75 C73 C14 112.6(5) . . ?
C75 C73 C76 108.3(6) . . ?
C76 C73 C14 108.5(6) . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
Cl1 C93 Cl2 110.6(13) . . ?
Cl1 C93 H93A 109.5 . . ?
Cl1 C93 H93B 109.5 . . ?
Cl2 C93 H93A 109.5 . . ?
Cl2 C93 H93B 109.5 . . ?
H93A C93 H93B 108.1 . . ?
Cl3 C94 Cl4 112.3(7) . . ?
Cl3 C94 H94A 109.1 . . ?
Cl3 C94 H94B 109.1 . . ?
Cl4 C94 H94A 109.1 . . ?
Cl4 C94 H94B 109.1 . . ?
H94A C94 H94B 107.9 . . ?
Cl5 C95 Cl6 114.1(12) . . ?
Cl5 C95 H95A 108.7 . . ?
Cl5 C95 H95B 108.7 . . ?
Cl6 C95 H95A 108.7 . . ?
Cl6 C95 H95B 108.7 . . ?
H95A C95 H95B 107.6 . . ?
Cl5 C95A H95C 111.5 . . ?
Cl5 C95A H95D 111.5 . . ?
Cl5 C95A Cl6A 101.6(13) . . ?
H95C C95A H95D 109.3 . . ?
Cl6A C95A H95C 111.5 . . ?
Cl6A C95A H95D 111.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt1 N7 C77 C89 -178.4(5) . . . . ?
Pt1 N7 C77 C78 2.1(7) . . . . ?
Pt1 N7 C92 C91 176.5(5) . . . . ?
Pt1 N1 C4 C3 -156.2(5) . . . . ?
Pt1 N1 C4 C5 24.5(10) . . . . ?
Pt1 N1 C1 C16 -27.2(10) . . . . ?
Pt1 N1 C1 C2 156.1(5) . . . . ?
Pt1 N8 C81 C85 175.9(6) . . . . ?
Pt1 N8 C81 C80 -0.3(8) . . . . ?
Pt1 N8 C82 C83 -175.3(6) . . . . ?
Pt1 C79 C78 C77 1.1(9) . . . . ?
Pt1 C79 C78 C88 179.0(5) . . . . ?
Pt2 N5 C31 C32 -0.2(8) . . . . ?
Pt2 N5 C31 C43 179.0(6) . . . . ?
Pt2 N5 C46 C45 -176.4(6) . . . . ?
Pt2 N6 C35 C34 -8.4(9) . . . . ?
Pt2 N6 C35 C39 169.9(6) . . . . ?
Pt2 N6 C36 C37 -170.5(7) . . . . ?
Pt2 N4 C30 C29 2.7(10) . . . . ?
Pt2 N4 C30 C49 -176.5(4) . . . . ?
Pt2 N4 C47 C48 177.1(4) . . . . ?
Pt2 N4 C47 C60 -3.1(10) . . . . ?
N5 C31 C32 C33 3.0(9) . . . . ?
N5 C31 C32 C42 -176.2(7) . . . . ?
N5 C31 C43 C44 -2.1(12) . . . . ?
N5 C46 C45 C44 -2.7(12) . . . . ?
N3 C24 C21 N2 -2.3(11) . . . . ?
N3 C24 C21 C20 179.3(6) . . . . ?
N3 C24 C25 C26 -172.9(6) . . . . ?
N3 C24 C25 C66 5.4(10) . . . . ?
N3 C23 C22 N2 0.4(12) . . . . ?
N3 C23 C22 C70 -178.3(8) . . . . ?
N3 C23 C67 C68 176.7(9) . . . . ?
N7 C77 C89 C90 1.6(11) . . . . ?
N7 C77 C78 C79 -2.1(9) . . . . ?
N7 C77 C78 C88 -179.7(7) . . . . ?
N6 C35 C39 C38 1.0(12) . . . . ?
N2 C21 C20 C71 -4.4(10) . . . . ?
N2 C21 C20 C19 176.8(6) . . . . ?
N2 C22 C70 C69 -176.4(10) . . . . ?
N1 C4 C3 C8 -176.7(6) . . . . ?
N1 C4 C3 C2 -2.5(8) . . . . ?
N1 C4 C5 C6 177.0(7) . . . . ?
N8 C81 C80 C79 1.7(10) . . . . ?
N8 C81 C80 C86 178.1(8) . . . . ?
N8 C82 C83 C84 -1.5(12) . . . . ?
C71 C20 C19 C26 -179.9(6) . . . . ?
C71 C20 C19 C18 -5.3(10) . . . . ?
C14 C13 C2 C3 174.8(7) . . . . ?
C14 C13 C2 C1 -0.9(10) . . . . ?
C14 C15 C16 C17 -175.3(7) . . . . ?
C14 C15 C16 C1 2.9(10) . . . . ?
C24 N3 C23 C22 2.3(11) . . . . ?
C24 N3 C23 C67 -176.3(8) . . . . ?
C24 C21 C20 C71 174.1(6) . . . . ?
C24 C21 C20 C19 -4.8(10) . . . . ?
C21 N2 C22 C23 -3.9(11) . . . . ?
C21 N2 C22 C70 174.8(8) . . . . ?
C21 C24 C25 C26 2.2(10) . . . . ?
C21 C24 C25 C66 -179.5(7) . . . . ?
C21 C20 C19 C26 -1.1(9) . . . . ?
C21 C20 C19 C18 173.6(6) . . . . ?
C29 C52 C51 C53 177.7(7) . . . . ?
C29 C52 C51 C50 -1.8(10) . . . . ?
C29 C28 C65 C66 172.4(7) . . . . ?
C26 C27 C28 C29 -175.6(6) . . . . ?
C26 C27 C28 C65 4.8(10) . . . . ?
C27 C26 C19 C20 -169.8(6) . . . . ?
C27 C26 C19 C18 15.7(10) . . . . ?
C27 C26 C25 C24 169.4(6) . . . . ?
C27 C26 C25 C66 -9.0(10) . . . . ?
C27 C28 C65 C66 -7.9(10) . . . . ?
C13 C14 C15 C16 -2.9(11) . . . . ?
C13 C14 C73 C74 -60.2(9) . . . . ?
C13 C14 C73 C75 179.8(7) . . . . ?
C13 C14 C73 C76 59.9(9) . . . . ?
C13 C2 C1 N1 178.1(6) . . . . ?
C13 C2 C1 C16 1.0(10) . . . . ?
C49 C48 C57 C58 -178.2(7) . . . . ?
C49 C48 C47 N4 -0.7(8) . . . . ?
C49 C48 C47 C60 179.4(6) . . . . ?
C52 C29 C30 N4 -173.4(6) . . . . ?
C52 C29 C30 C49 5.8(9) . . . . ?
C52 C29 C28 C27 -121.1(7) . . . . ?
C52 C29 C28 C65 58.6(9) . . . . ?
C52 C51 C53 C54 55.7(9) . . . . ?
C52 C51 C53 C55 178.1(7) . . . . ?
C52 C51 C53 C56 -63.3(9) . . . . ?
C52 C51 C50 C49 4.9(10) . . . . ?
C23 N3 C24 C21 -1.4(10) . . . . ?
C23 N3 C24 C25 173.7(7) . . . . ?
C23 C22 C70 C69 2.3(15) . . . . ?
C23 C67 C68 C69 0.8(17) . . . . ?
C30 N4 C47 C48 0.6(8) . . . . ?
C30 N4 C47 C60 -179.6(7) . . . . ?
C30 C29 C52 C51 -3.6(10) . . . . ?
C30 C29 C28 C27 59.2(9) . . . . ?
C30 C29 C28 C65 -121.1(7) . . . . ?
C30 C49 C48 C57 178.7(8) . . . . ?
C30 C49 C48 C47 0.5(7) . . . . ?
C30 C49 C50 C51 -2.6(10) . . . . ?
C20 C71 C72 C17 -2.7(11) . . . . ?
C34 C35 C39 C38 179.2(8) . . . . ?
C31 N5 C46 C45 1.8(11) . . . . ?
C31 C32 C33 Pt2 -4.7(8) . . . . ?
C31 C32 C33 C34 -177.1(7) . . . . ?
C31 C32 C42 C41 179.3(8) . . . . ?
C48 C49 C30 N4 -0.2(7) . . . . ?
C48 C49 C30 C29 -179.5(6) . . . . ?
C48 C49 C50 C51 173.0(7) . . . . ?
C4 N1 C1 C16 174.0(7) . . . . ?
C4 N1 C1 C2 -2.7(7) . . . . ?
C4 C3 C8 C7 -2.0(10) . . . . ?
C4 C3 C2 C13 -175.4(8) . . . . ?
C4 C3 C2 C1 0.7(7) . . . . ?
C15 C14 C13 C2 1.8(10) . . . . ?
C15 C14 C73 C74 122.0(7) . . . . ?
C15 C14 C73 C75 1.9(10) . . . . ?
C15 C14 C73 C76 -117.9(7) . . . . ?
C15 C16 C1 N1 -178.3(7) . . . . ?
C15 C16 C1 C2 -2.0(10) . . . . ?
C28 C29 C52 C51 176.7(6) . . . . ?
C28 C29 C30 N4 6.3(11) . . . . ?
C28 C29 C30 C49 -174.5(6) . . . . ?
C28 C65 C66 C25 2.6(11) . . . . ?
C18 C17 C16 C15 -78.0(9) . . . . ?
C18 C17 C16 C1 103.8(8) . . . . ?
C18 C17 C72 C71 -2.2(10) . . . . ?
C17 C18 C19 C26 175.0(6) . . . . ?
C17 C18 C19 C20 0.3(10) . . . . ?
C17 C16 C1 N1 -0.1(11) . . . . ?
C17 C16 C1 C2 176.3(6) . . . . ?
C65 C66 C25 C24 -172.3(7) . . . . ?
C65 C66 C25 C26 6.0(11) . . . . ?
C3 C4 C5 C6 -2.3(10) . . . . ?
C3 C2 C1 N1 1.2(7) . . . . ?
C3 C2 C1 C16 -175.8(6) . . . . ?
C85 C81 C80 C79 -174.2(8) . . . . ?
C85 C81 C80 C86 2.2(14) . . . . ?
C81 N8 C82 C83 2.2(11) . . . . ?
C81 C85 C84 C83 -0.2(13) . . . . ?
C81 C80 C79 Pt1 -2.5(9) . . . . ?
C81 C80 C79 C78 179.2(7) . . . . ?
C81 C80 C86 C87 -176.6(8) . . . . ?
C77 N7 C92 C91 -0.4(10) . . . . ?
C60 C59 C58 C61 -177.9(7) . . . . ?
C60 C59 C58 C57 1.8(11) . . . . ?
C16 C17 C72 C71 168.7(6) . . . . ?
C32 C31 C43 C44 176.9(8) . . . . ?
C7 C6 C5 C4 1.3(10) . . . . ?
C80 C79 C78 C77 179.4(7) . . . . ?
C80 C79 C78 C88 -2.7(11) . . . . ?
C80 C86 C87 C88 -1.3(12) . . . . ?
C91 C90 C89 C77 -0.5(11) . . . . ?
C82 N8 C81 C85 -1.9(10) . . . . ?
C82 N8 C81 C80 -178.1(6) . . . . ?
C82 C83 C84 C85 0.5(13) . . . . ?
C35 N6 C36 C37 -0.3(13) . . . . ?
C35 C34 C33 Pt2 2.8(9) . . . . ?
C35 C34 C33 C32 175.0(7) . . . . ?
C35 C34 C40 C41 -176.2(8) . . . . ?
C35 C39 C38 C37 1.5(13) . . . . ?
C79 C80 C86 C87 -0.5(12) . . . . ?
C8 C3 C2 C13 -2.1(14) . . . . ?
C8 C3 C2 C1 174.0(7) . . . . ?
C8 C7 C6 C5 -0.7(11) . . . . ?
C8 C7 C9 C10 -115.5(8) . . . . ?
C8 C7 C9 C11 125.0(8) . . . . ?
C8 C7 C9 C12 4.9(10) . . . . ?
C46 N5 C31 C32 -178.6(6) . . . . ?
C46 N5 C31 C43 0.5(11) . . . . ?
C22 N2 C21 C24 4.8(10) . . . . ?
C22 N2 C21 C20 -176.8(6) . . . . ?
C22 C23 C67 C68 -1.8(14) . . . . ?
C22 C70 C69 C68 -3.3(17) . . . . ?
C72 C71 C20 C21 -172.4(6) . . . . ?
C72 C71 C20 C19 6.4(10) . . . . ?
C72 C17 C16 C15 111.3(8) . . . . ?
C72 C17 C16 C1 -66.8(9) . . . . ?
C6 C7 C8 C3 0.9(10) . . . . ?
C6 C7 C9 C10 62.6(9) . . . . ?
C6 C7 C9 C11 -56.9(9) . . . . ?
C6 C7 C9 C12 -177.1(7) . . . . ?
C19 C26 C27 C28 -178.9(6) . . . . ?
C19 C26 C25 C24 -8.1(10) . . . . ?
C19 C26 C25 C66 173.5(6) . . . . ?
C19 C18 C17 C16 -167.5(6) . . . . ?
C19 C18 C17 C72 3.4(10) . . . . ?
C59 C60 C47 N4 180.0(7) . . . . ?
C59 C60 C47 C48 -0.3(10) . . . . ?
C59 C58 C57 C48 -1.0(11) . . . . ?
C25 C24 C21 N2 -177.3(7) . . . . ?
C25 C24 C21 C20 4.3(10) . . . . ?
C25 C26 C27 C28 3.7(10) . . . . ?
C25 C26 C19 C20 7.7(10) . . . . ?
C25 C26 C19 C18 -166.9(7) . . . . ?
C86 C80 C79 Pt1 -179.3(6) . . . . ?
C86 C80 C79 C78 2.5(12) . . . . ?
C61 C58 C57 C48 178.7(7) . . . . ?
C67 C23 C22 N2 178.9(8) . . . . ?
C67 C23 C22 C70 0.2(13) . . . . ?
C90 C91 C92 N7 1.5(11) . . . . ?
C53 C51 C50 C49 -174.6(7) . . . . ?
C89 C77 C78 C79 178.5(7) . . . . ?
C89 C77 C78 C88 0.8(13) . . . . ?
C70 C69 C68 C67 1.8(19) . . . . ?
C43 C31 C32 C33 -176.1(7) . . . . ?
C43 C31 C32 C42 4.7(13) . . . . ?
C43 C44 C45 C46 1.1(13) . . . . ?
C36 N6 C35 C34 -179.9(7) . . . . ?
C36 N6 C35 C39 -1.6(11) . . . . ?
C36 C37 C38 C39 -3.2(13) . . . . ?
C38 C37 C36 N6 2.7(14) . . . . ?
C62 C61 C58 C59 179.0(7) . . . . ?
C62 C61 C58 C57 -0.7(11) . . . . ?
C63 C61 C58 C59 -60.5(10) . . . . ?
C63 C61 C58 C57 119.8(9) . . . . ?
C2 C3 C8 C7 -174.3(7) . . . . ?
C50 C49 C30 N4 176.5(6) . . . . ?
C50 C49 C30 C29 -2.9(10) . . . . ?
C50 C49 C48 C57 2.6(13) . . . . ?
C50 C49 C48 C47 -175.6(7) . . . . ?
C50 C51 C53 C54 -124.9(7) . . . . ?
C50 C51 C53 C55 -2.5(10) . . . . ?
C50 C51 C53 C56 116.1(7) . . . . ?
C33 C34 C35 N6 3.9(10) . . . . ?
C33 C34 C35 C39 -174.4(7) . . . . ?
C33 C34 C40 C41 1.4(11) . . . . ?
C33 C32 C42 C41 0.2(11) . . . . ?
C57 C48 C47 N4 -179.2(6) . . . . ?
C57 C48 C47 C60 1.0(10) . . . . ?
C78 C77 C89 C90 -178.9(7) . . . . ?
C78 C88 C87 C86 1.0(12) . . . . ?
C92 N7 C77 C89 -1.1(10) . . . . ?
C92 N7 C77 C78 179.3(6) . . . . ?
C92 C91 C90 C89 -1.0(11) . . . . ?
C40 C34 C35 N6 -178.4(8) . . . . ?
C40 C34 C35 C39 3.3(14) . . . . ?
C40 C34 C33 Pt2 -175.2(6) . . . . ?
C40 C34 C33 C32 -3.0(11) . . . . ?
C40 C41 C42 C32 -1.7(12) . . . . ?
C1 N1 C4 C3 3.3(8) . . . . ?
C1 N1 C4 C5 -176.0(7) . . . . ?
C47 N4 C30 C29 179.0(7) . . . . ?
C47 N4 C30 C49 -0.3(7) . . . . ?
C47 C48 C57 C58 -0.3(11) . . . . ?
C47 C60 C59 C58 -1.1(11) . . . . ?
C9 C7 C8 C3 179.0(6) . . . . ?
C9 C7 C6 C5 -178.8(7) . . . . ?
C45 C44 C43 C31 1.3(13) . . . . ?
C5 C4 C3 C8 2.6(10) . . . . ?
C5 C4 C3 C2 176.9(6) . . . . ?
C87 C88 C78 C77 178.4(7) . . . . ?
C87 C88 C78 C79 0.9(11) . . . . ?
C84 C85 C81 N8 1.0(12) . . . . ?
C84 C85 C81 C80 176.6(8) . . . . ?
C42 C32 C33 Pt2 174.6(6) . . . . ?
C42 C32 C33 C34 2.2(11) . . . . ?
C42 C41 C40 C34 1.0(12) . . . . ?
C73 C14 C13 C2 -176.1(6) . . . . ?
C73 C14 C15 C16 175.0(7) . . . . ?
C64 C61 C58 C59 59.5(11) . . . . ?
C64 C61 C58 C57 -120.2(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
