# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_30910ji
_database_code_depnum_ccdc_archive 'CCDC 1406329'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'beta-to-beta Pt(II)-bridged diporphyrin'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C104 H118 N8 Pt, 2(C H Cl3)'
_chemical_formula_sum            'C106 H120 Cl6 N8 Pt'
_chemical_formula_weight         1913.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   20.8774(6)
_cell_length_b                   15.8099(5)
_cell_length_c                   30.4880(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.1261(18)
_cell_angle_gamma                90.00
_cell_volume                     9935.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    48449
_cell_measurement_theta_min      3.155
_cell_measurement_theta_max      68.33

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3968
_exptl_absorpt_coefficient_mu    4.502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1232
_exptl_absorpt_correction_T_max  0.5516
_exptl_absorpt_process_details   
; Higashi, T. (1995). Program for 
 Absorption Correction.
 Rigaku Corporation, Tokyo, Japan.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.0
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            144139
_diffrn_reflns_av_R_equivalents  0.1738
_diffrn_reflns_av_sigmaI/netI    0.1118
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         3.35
_diffrn_reflns_theta_max         68.25
_reflns_number_total             18120
_reflns_number_gt                12509
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0827P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         18120
_refine_ls_number_parameters     1259
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0707
_refine_ls_wR_factor_ref         0.1792
_refine_ls_wR_factor_gt          0.1632
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_restrained_S_all      1.003
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0192(3) 0.3338(3) 0.18492(17) 0.0373(13) Uani 1 1 d . . .
C2 C 0.9715(3) 0.2936(3) 0.20925(17) 0.0378(13) Uani 1 1 d . . .
C3 C 0.9126(3) 0.3152(4) 0.18772(17) 0.0392(13) Uani 1 1 d . . .
H1 H 0.8725 0.2976 0.1958 0.047 Uiso 1 1 calc R . .
C4 C 0.9191(3) 0.3688(4) 0.15052(18) 0.0400(14) Uani 1 1 d . . .
C5 C 0.8707(3) 0.4109(4) 0.12173(18) 0.0414(14) Uani 1 1 d . . .
C6 C 0.8829(3) 0.4719(4) 0.09113(18) 0.0416(14) Uani 1 1 d . . .
C7 C 0.8341(3) 0.5261(4) 0.06667(19) 0.0495(15) Uani 1 1 d . . .
H2 H 0.7887 0.5234 0.0671 0.059 Uiso 1 1 calc R . .
C8 C 0.8641(3) 0.5807(4) 0.0432(2) 0.0542(17) Uani 1 1 d . . .
H3 H 0.8448 0.6246 0.0244 0.065 Uiso 1 1 calc R . .
C9 C 0.9323(3) 0.5589(4) 0.0527(2) 0.0506(16) Uani 1 1 d . . .
C10 C 0.9799(3) 0.5978(4) 0.0309(2) 0.0576(18) Uani 1 1 d . . .
H4 H 0.9645 0.6404 0.0098 0.069 Uiso 1 1 calc R . .
C11 C 1.0459(3) 0.5818(4) 0.0364(2) 0.0536(17) Uani 1 1 d . . .
C12 C 1.0919(3) 0.6176(5) 0.0122(2) 0.0628(19) Uani 1 1 d . . .
H5 H 1.0824 0.6566 -0.0116 0.075 Uiso 1 1 calc R . .
C13 C 1.1515(3) 0.5871(4) 0.02862(19) 0.0526(16) Uani 1 1 d . . .
H6 H 1.1909 0.6015 0.0185 0.063 Uiso 1 1 calc R . .
C14 C 1.1447(3) 0.5299(4) 0.06359(18) 0.0437(14) Uani 1 1 d . . .
C15 C 1.1935(3) 0.4880(4) 0.09214(18) 0.0432(14) Uani 1 1 d . . .
C16 C 1.1821(3) 0.4367(4) 0.12747(19) 0.0419(14) Uani 1 1 d . . .
C17 C 1.2325(3) 0.3973(4) 0.15868(19) 0.0494(16) Uani 1 1 d . . .
H7 H 1.2780 0.4012 0.1590 0.059 Uiso 1 1 calc R . .
C18 C 1.2017(3) 0.3536(4) 0.1874(2) 0.0514(16) Uani 1 1 d . . .
H8 H 1.2216 0.3209 0.2120 0.062 Uiso 1 1 calc R . .
C19 C 1.1332(3) 0.3660(4) 0.17360(19) 0.0435(14) Uani 1 1 d . . .
C20 C 1.0855(3) 0.3286(4) 0.19519(17) 0.0386(13) Uani 1 1 d . . .
H9 H 1.1014 0.2951 0.2204 0.046 Uiso 1 1 calc R . .
C21 C 0.9600(3) 0.3878(3) 0.31525(18) 0.0372(13) Uani 1 1 d . . .
C22 C 1.0098(3) 0.3414(4) 0.29884(18) 0.0411(14) Uani 1 1 d . . .
C23 C 1.0673(3) 0.3805(4) 0.31311(18) 0.0413(14) Uani 1 1 d . . .
H10 H 1.1084 0.3625 0.3071 0.050 Uiso 1 1 calc R . .
C24 C 1.0558(3) 0.4527(4) 0.33858(18) 0.0394(13) Uani 1 1 d . . .
C25 C 1.1009(3) 0.5123(4) 0.35817(17) 0.0389(13) Uani 1 1 d . . .
C26 C 1.0843(3) 0.5838(4) 0.38169(19) 0.0423(14) Uani 1 1 d . . .
C27 C 1.1312(3) 0.6436(4) 0.40458(19) 0.0480(15) Uani 1 1 d . . .
H11 H 1.1771 0.6413 0.4066 0.058 Uiso 1 1 calc R . .
C28 C 1.0973(3) 0.7015(4) 0.4220(2) 0.0526(16) Uani 1 1 d . . .
H12 H 1.1143 0.7494 0.4387 0.063 Uiso 1 1 calc R . .
C29 C 1.0293(3) 0.6788(4) 0.41096(19) 0.0448(14) Uani 1 1 d . . .
C30 C 0.9792(3) 0.7279(4) 0.4229(2) 0.0471(15) Uani 1 1 d . . .
H13 H 0.9923 0.7781 0.4390 0.057 Uiso 1 1 calc R . .
C31 C 0.9130(3) 0.7135(4) 0.41438(19) 0.0425(14) Uani 1 1 d . . .
C32 C 0.8634(3) 0.7634(4) 0.4277(2) 0.0492(16) Uani 1 1 d . . .
H14 H 0.8694 0.8144 0.4443 0.059 Uiso 1 1 calc R . .
C33 C 0.8058(3) 0.7259(4) 0.4127(2) 0.0498(17) Uani 1 1 d . . .
H15 H 0.7645 0.7460 0.4174 0.060 Uiso 1 1 calc R . .
C34 C 0.8170(3) 0.6516(4) 0.38891(18) 0.0432(14) Uani 1 1 d . . .
C35 C 0.7722(3) 0.5920(4) 0.36942(18) 0.0446(15) Uani 1 1 d . . .
C36 C 0.7882(3) 0.5171(4) 0.34890(19) 0.0475(15) Uani 1 1 d . . .
C37 C 0.7420(3) 0.4540(4) 0.32896(19) 0.0525(16) Uani 1 1 d . . .
H16 H 0.6964 0.4549 0.3282 0.063 Uiso 1 1 calc R . .
C38 C 0.7769(3) 0.3934(4) 0.3116(2) 0.0507(16) Uani 1 1 d . . .
H17 H 0.7603 0.3436 0.2965 0.061 Uiso 1 1 calc R . .
C39 C 0.8439(3) 0.4197(4) 0.32050(18) 0.0431(14) Uani 1 1 d . . .
C40 C 0.8939(3) 0.3730(4) 0.30761(19) 0.0448(15) Uani 1 1 d . . .
H18 H 0.8808 0.3234 0.2910 0.054 Uiso 1 1 calc R . .
C41 C 0.9681(3) 0.1008(4) 0.23796(19) 0.0449(15) Uani 1 1 d . . .
H19 H 0.9339 0.1285 0.2191 0.054 Uiso 1 1 calc R . .
C42 C 1.0291(3) 0.1158(4) 0.23035(19) 0.0465(15) Uani 1 1 d . . .
H20 H 1.0330 0.1499 0.2053 0.056 Uiso 1 1 calc R . .
C43 C 1.0918(3) 0.0845(4) 0.2572(2) 0.0581(17) Uani 1 1 d . . .
H21 H 1.1278 0.1211 0.2510 0.070 Uiso 1 1 calc R . .
H22 H 1.1004 0.0265 0.2474 0.070 Uiso 1 1 calc R . .
C44 C 1.0913(3) 0.0836(4) 0.3073(2) 0.0565(17) Uani 1 1 d . . .
H23 H 1.0707 0.0304 0.3150 0.068 Uiso 1 1 calc R . .
H24 H 1.1367 0.0834 0.3228 0.068 Uiso 1 1 calc R . .
C45 C 1.0557(3) 0.1579(4) 0.32457(18) 0.0507(16) Uani 1 1 d . . .
H25 H 1.0807 0.2072 0.3328 0.061 Uiso 1 1 calc R . .
C46 C 0.9927(3) 0.1608(4) 0.32935(17) 0.0431(14) Uani 1 1 d . . .
H26 H 0.9780 0.2110 0.3418 0.052 Uiso 1 1 calc R . .
C47 C 0.9432(3) 0.0918(4) 0.3168(2) 0.0556(17) Uani 1 1 d . . .
H27 H 0.8994 0.1171 0.3137 0.067 Uiso 1 1 calc R . .
H28 H 0.9470 0.0504 0.3414 0.067 Uiso 1 1 calc R . .
C48 C 0.9493(3) 0.0443(4) 0.2737(2) 0.0566(17) Uani 1 1 d . . .
H29 H 0.9823 -0.0008 0.2805 0.068 Uiso 1 1 calc R . .
H30 H 0.9073 0.0168 0.2624 0.068 Uiso 1 1 calc R . .
C49 C 0.8001(3) 0.3923(4) 0.12432(19) 0.0428(14) Uani 1 1 d . . .
C50 C 0.7698(3) 0.4348(4) 0.15557(19) 0.0444(14) Uani 1 1 d . . .
H31 H 0.7945 0.4699 0.1772 0.053 Uiso 1 1 calc R . .
C51 C 0.7028(3) 0.4255(4) 0.1549(2) 0.0467(15) Uani 1 1 d . . .
C52 C 0.6690(3) 0.3705(4) 0.1240(2) 0.0514(16) Uani 1 1 d . . .
H32 H 0.6239 0.3626 0.1241 0.062 Uiso 1 1 calc R . .
C53 C 0.6980(3) 0.3265(4) 0.0930(2) 0.0465(15) Uani 1 1 d . A .
C54 C 0.7646(3) 0.3389(4) 0.09390(19) 0.0453(15) Uani 1 1 d . . .
H33 H 0.7858 0.3098 0.0730 0.054 Uiso 1 1 calc R . .
C55 C 0.6665(3) 0.4769(4) 0.1865(2) 0.0567(17) Uani 1 1 d . . .
C56 C 0.7112(3) 0.5376(4) 0.2161(2) 0.0609(18) Uani 1 1 d . . .
H47 H 0.7468 0.5057 0.2333 0.091 Uiso 1 1 calc R . .
H48 H 0.6865 0.5667 0.2363 0.091 Uiso 1 1 calc R . .
H49 H 0.7289 0.5794 0.1975 0.091 Uiso 1 1 calc R . .
C57 C 0.6355(3) 0.4166(5) 0.2159(2) 0.070(2) Uani 1 1 d . . .
H50 H 0.6034 0.3812 0.1974 0.106 Uiso 1 1 calc R . .
H51 H 0.6141 0.4492 0.2368 0.106 Uiso 1 1 calc R . .
H52 H 0.6691 0.3805 0.2325 0.106 Uiso 1 1 calc R . .
C58 C 0.6132(3) 0.5297(5) 0.1574(2) 0.074(2) Uani 1 1 d . . .
H53 H 0.6328 0.5631 0.1359 0.111 Uiso 1 1 calc R . .
H54 H 0.5927 0.5678 0.1764 0.111 Uiso 1 1 calc R . .
H55 H 0.5804 0.4916 0.1415 0.111 Uiso 1 1 calc R . .
C59 C 0.6596(3) 0.2674(5) 0.0596(2) 0.0571(18) Uani 1 1 d . . .
C60 C 0.5864(7) 0.2623(12) 0.0653(7) 0.088(6) Uani 0.588(15) 1 d P A 1
H56 H 0.5696 0.3194 0.0685 0.132 Uiso 0.588(15) 1 calc PR A 1
H57 H 0.5823 0.2290 0.0918 0.132 Uiso 0.588(15) 1 calc PR A 1
H58 H 0.5614 0.2351 0.0391 0.132 Uiso 0.588(15) 1 calc PR A 1
C61 C 0.6875(7) 0.1833(9) 0.0596(5) 0.074(5) Uani 0.588(15) 1 d P A 1
H59 H 0.6609 0.1483 0.0372 0.112 Uiso 0.588(15) 1 calc PR A 1
H60 H 0.6887 0.1576 0.0890 0.112 Uiso 0.588(15) 1 calc PR A 1
H61 H 0.7317 0.1872 0.0527 0.112 Uiso 0.588(15) 1 calc PR A 1
C62 C 0.6589(8) 0.3097(10) 0.0119(4) 0.087(6) Uani 0.588(15) 1 d P A 1
H62 H 0.6298 0.2779 -0.0105 0.130 Uiso 0.588(15) 1 calc PR A 1
H63 H 0.7029 0.3090 0.0044 0.130 Uiso 0.588(15) 1 calc PR A 1
H64 H 0.6438 0.3683 0.0126 0.130 Uiso 0.588(15) 1 calc PR A 1
C107 C 0.6977(10) 0.2384(14) 0.0227(6) 0.073(8) Uani 0.412(15) 1 d P A 2
H65 H 0.6688 0.2065 0.0001 0.110 Uiso 0.412(15) 1 calc PR A 2
H66 H 0.7340 0.2023 0.0356 0.110 Uiso 0.412(15) 1 calc PR A 2
H67 H 0.7144 0.2881 0.0089 0.110 Uiso 0.412(15) 1 calc PR A 2
C108 C 0.6493(11) 0.1778(13) 0.0854(6) 0.078(7) Uani 0.412(15) 1 d P A 2
H68 H 0.6292 0.1896 0.1117 0.117 Uiso 0.412(15) 1 calc PR A 2
H69 H 0.6914 0.1506 0.0945 0.117 Uiso 0.412(15) 1 calc PR A 2
H70 H 0.6211 0.1402 0.0653 0.117 Uiso 0.412(15) 1 calc PR A 2
C109 C 0.5989(10) 0.2986(16) 0.0394(8) 0.072(7) Uani 0.412(15) 1 d P A 2
H71 H 0.5784 0.2577 0.0173 0.108 Uiso 0.412(15) 1 calc PR A 2
H72 H 0.6049 0.3525 0.0247 0.108 Uiso 0.412(15) 1 calc PR A 2
H73 H 0.5711 0.3073 0.0620 0.108 Uiso 0.412(15) 1 calc PR A 2
C63 C 1.2619(3) 0.4999(4) 0.08390(18) 0.0461(15) Uani 1 1 d . . .
C64 C 1.2861(3) 0.4468(4) 0.0540(2) 0.0541(17) Uani 1 1 d . . .
H34 H 1.2593 0.4036 0.0393 0.065 Uiso 1 1 calc R . .
C65 C 1.3498(3) 0.4564(5) 0.0454(2) 0.0601(19) Uani 1 1 d . B .
C66 C 1.3864(3) 0.5225(5) 0.0672(2) 0.067(2) Uani 1 1 d . . .
H35 H 1.4293 0.5309 0.0613 0.081 Uiso 1 1 calc R . .
C67 C 1.3633(3) 0.5760(5) 0.0969(2) 0.0619(19) Uani 1 1 d . . .
C68 C 1.3000(3) 0.5634(4) 0.1050(2) 0.0554(17) Uani 1 1 d . . .
H36 H 1.2831 0.5991 0.1255 0.066 Uiso 1 1 calc R . .
C69 C 1.3761(4) 0.3979(6) 0.0124(3) 0.070(2) Uani 1 1 d . . .
C70 C 1.3225(7) 0.3190(12) -0.0049(6) 0.101(7) Uani 0.545(12) 1 d P B 3
H74 H 1.3388 0.2853 -0.0278 0.152 Uiso 0.545(12) 1 calc PR B 3
H75 H 1.2804 0.3436 -0.0172 0.152 Uiso 0.545(12) 1 calc PR B 3
H76 H 1.3175 0.2826 0.0204 0.152 Uiso 0.545(12) 1 calc PR B 3
C71 C 1.3770(9) 0.4436(14) -0.0327(6) 0.080(6) Uani 0.545(12) 1 d P B 3
H77 H 1.4067 0.4919 -0.0281 0.119 Uiso 0.545(12) 1 calc PR B 3
H78 H 1.3332 0.4637 -0.0445 0.119 Uiso 0.545(12) 1 calc PR B 3
H79 H 1.3916 0.4042 -0.0539 0.119 Uiso 0.545(12) 1 calc PR B 3
C72 C 1.4350(8) 0.3510(11) 0.0300(5) 0.083(6) Uani 0.545(12) 1 d P B 3
H80 H 1.4275 0.3182 0.0560 0.124 Uiso 0.545(12) 1 calc PR B 3
H81 H 1.4707 0.3908 0.0387 0.124 Uiso 0.545(12) 1 calc PR B 3
H82 H 1.4461 0.3125 0.0071 0.124 Uiso 0.545(12) 1 calc PR B 3
C110 C 1.4533(7) 0.4343(14) 0.0110(6) 0.087(7) Uani 0.455(12) 1 d P B 4
H83 H 1.4782 0.4333 0.0410 0.130 Uiso 0.455(12) 1 calc PR B 4
H84 H 1.4511 0.4924 -0.0004 0.130 Uiso 0.455(12) 1 calc PR B 4
H85 H 1.4744 0.3980 -0.0085 0.130 Uiso 0.455(12) 1 calc PR B 4
C111 C 1.3830(9) 0.3152(12) 0.0304(6) 0.074(6) Uani 0.455(12) 1 d P B 4
H86 H 1.4073 0.2801 0.0122 0.110 Uiso 0.455(12) 1 calc PR B 4
H87 H 1.3400 0.2905 0.0305 0.110 Uiso 0.455(12) 1 calc PR B 4
H88 H 1.4064 0.3178 0.0609 0.110 Uiso 0.455(12) 1 calc PR B 4
C112 C 1.3401(12) 0.4139(15) -0.0325(8) 0.077(7) Uani 0.455(12) 1 d P B 4
H89 H 1.3570 0.3773 -0.0539 0.116 Uiso 0.455(12) 1 calc PR B 4
H90 H 1.3454 0.4733 -0.0404 0.116 Uiso 0.455(12) 1 calc PR B 4
H91 H 1.2940 0.4018 -0.0329 0.116 Uiso 0.455(12) 1 calc PR B 4
C73 C 1.4066(4) 0.6448(6) 0.1225(3) 0.076(2) Uani 1 1 d . . .
C74 C 1.4664(4) 0.6671(7) 0.1005(3) 0.117(4) Uani 1 1 d . . .
H92 H 1.4520 0.6925 0.0713 0.176 Uiso 1 1 calc R . .
H93 H 1.4912 0.6155 0.0969 0.176 Uiso 1 1 calc R . .
H94 H 1.4940 0.7073 0.1193 0.176 Uiso 1 1 calc R . .
C75 C 1.4339(4) 0.6078(7) 0.1686(3) 0.119(4) Uani 1 1 d . . .
H95 H 1.4635 0.6488 0.1853 0.179 Uiso 1 1 calc R . .
H96 H 1.4574 0.5554 0.1649 0.179 Uiso 1 1 calc R . .
H97 H 1.3980 0.5959 0.1849 0.179 Uiso 1 1 calc R . .
C76 C 1.3695(5) 0.7211(6) 0.1279(4) 0.128(4) Uani 1 1 d . . .
H98 H 1.3516 0.7438 0.0986 0.192 Uiso 1 1 calc R . .
H99 H 1.3979 0.7634 0.1445 0.192 Uiso 1 1 calc R . .
H100 H 1.3340 0.7074 0.1442 0.192 Uiso 1 1 calc R . .
C77 C 1.1693(3) 0.5002(4) 0.35006(18) 0.0441(14) Uani 1 1 d . . .
C78 C 1.1961(3) 0.5602(4) 0.32493(19) 0.0508(16) Uani 1 1 d . . .
H37 H 1.1731 0.6111 0.3169 0.061 Uiso 1 1 calc R . .
C79 C 1.2562(3) 0.5473(5) 0.3112(2) 0.0584(18) Uani 1 1 d . C .
C80 C 1.2884(3) 0.4728(5) 0.3250(2) 0.0642(19) Uani 1 1 d . . .
H38 H 1.3295 0.4631 0.3162 0.077 Uiso 1 1 calc R . .
C81 C 1.2643(3) 0.4117(5) 0.3507(2) 0.0579(18) Uani 1 1 d . D .
C82 C 1.2041(3) 0.4282(4) 0.3634(2) 0.0521(16) Uani 1 1 d . . .
H39 H 1.1867 0.3886 0.3817 0.063 Uiso 1 1 calc R . .
C83 C 1.2822(4) 0.6109(5) 0.2803(3) 0.067(2) Uani 1 1 d . . .
C84 C 1.2638(12) 0.5778(18) 0.2316(7) 0.085(7) Uani 0.53(3) 1 d P C 7
H101 H 1.2810 0.6164 0.2112 0.127 Uiso 0.53(3) 1 calc PR C 7
H102 H 1.2164 0.5748 0.2238 0.127 Uiso 0.53(3) 1 calc PR C 7
H103 H 1.2823 0.5213 0.2293 0.127 Uiso 0.53(3) 1 calc PR C 7
C85 C 1.2458(13) 0.6994(10) 0.2798(8) 0.084(8) Uani 0.53(3) 1 d P C 7
H104 H 1.2559 0.7259 0.3091 0.126 Uiso 0.53(3) 1 calc PR C 7
H105 H 1.1989 0.6905 0.2723 0.126 Uiso 0.53(3) 1 calc PR C 7
H106 H 1.2603 0.7364 0.2575 0.126 Uiso 0.53(3) 1 calc PR C 7
C86 C 1.3504(11) 0.6324(18) 0.2919(10) 0.118(11) Uani 0.53(3) 1 d P C 7
H107 H 1.3760 0.5804 0.2976 0.177 Uiso 0.53(3) 1 calc PR C 7
H108 H 1.3568 0.6677 0.3187 0.177 Uiso 0.53(3) 1 calc PR C 7
H109 H 1.3645 0.6635 0.2673 0.177 Uiso 0.53(3) 1 calc PR C 7
C116 C 1.2994(16) 0.6930(13) 0.3063(9) 0.092(10) Uani 0.47(3) 1 d P C 8
H110 H 1.3356 0.6825 0.3304 0.137 Uiso 0.47(3) 1 calc PR C 8
H111 H 1.2616 0.7128 0.3188 0.137 Uiso 0.47(3) 1 calc PR C 8
H112 H 1.3121 0.7363 0.2863 0.137 Uiso 0.47(3) 1 calc PR C 8
C117 C 1.3520(12) 0.5765(19) 0.2703(9) 0.097(9) Uani 0.47(3) 1 d P C 8
H113 H 1.3708 0.6181 0.2522 0.145 Uiso 0.47(3) 1 calc PR C 8
H114 H 1.3458 0.5227 0.2543 0.145 Uiso 0.47(3) 1 calc PR C 8
H115 H 1.3813 0.5681 0.2984 0.145 Uiso 0.47(3) 1 calc PR C 8
C118 C 1.2370(14) 0.618(2) 0.2393(9) 0.095(9) Uani 0.47(3) 1 d P C 8
H116 H 1.2584 0.6458 0.2168 0.142 Uiso 0.47(3) 1 calc PR C 8
H117 H 1.1994 0.6516 0.2444 0.142 Uiso 0.47(3) 1 calc PR C 8
H118 H 1.2226 0.5615 0.2289 0.142 Uiso 0.47(3) 1 calc PR C 8
C87 C 1.3013(4) 0.3301(6) 0.3649(3) 0.083(2) Uani 1 1 d U . .
C88 C 1.3623(15) 0.314(2) 0.3481(13) 0.129(11) Uani 0.41(3) 1 d PU D 1
H168 H 1.3805 0.2597 0.3598 0.194 Uiso 0.41(3) 1 calc PR D 1
H169 H 1.3932 0.3594 0.3577 0.194 Uiso 0.41(3) 1 calc PR D 1
H170 H 1.3539 0.3116 0.3156 0.194 Uiso 0.41(3) 1 calc PR D 1
C89 C 1.254(2) 0.260(2) 0.3568(16) 0.100(12) Uani 0.41(3) 1 d PU D 1
H171 H 1.2152 0.2738 0.3698 0.150 Uiso 0.41(3) 1 calc PR D 1
H172 H 1.2736 0.2079 0.3706 0.150 Uiso 0.41(3) 1 calc PR D 1
H173 H 1.2417 0.2509 0.3248 0.150 Uiso 0.41(3) 1 calc PR D 1
C90 C 1.3268(19) 0.346(3) 0.4184(12) 0.115(12) Uani 0.41(3) 1 d PU D 1
H174 H 1.2895 0.3562 0.4336 0.173 Uiso 0.41(3) 1 calc PR D 1
H175 H 1.3559 0.3949 0.4223 0.173 Uiso 0.41(3) 1 calc PR D 1
H176 H 1.3503 0.2956 0.4312 0.173 Uiso 0.41(3) 1 calc PR D 1
C119 C 1.3248(17) 0.2908(12) 0.3209(9) 0.119(11) Uani 0.59(3) 1 d P D 2
H177 H 1.2870 0.2818 0.2979 0.178 Uiso 0.59(3) 1 calc PR D 2
H178 H 1.3468 0.2367 0.3284 0.178 Uiso 0.59(3) 1 calc PR D 2
H179 H 1.3548 0.3302 0.3099 0.178 Uiso 0.59(3) 1 calc PR D 2
C120 C 1.2580(12) 0.2553(19) 0.3788(9) 0.087(7) Uani 0.59(3) 1 d P D 2
H180 H 1.2203 0.2470 0.3556 0.130 Uiso 0.59(3) 1 calc PR D 2
H181 H 1.2433 0.2695 0.4069 0.130 Uiso 0.59(3) 1 calc PR D 2
H182 H 1.2837 0.2032 0.3825 0.130 Uiso 0.59(3) 1 calc PR D 2
C121 C 1.3576(12) 0.3469(17) 0.3992(11) 0.122(11) Uani 0.59(3) 1 d P D 2
H183 H 1.3803 0.2937 0.4078 0.183 Uiso 0.59(3) 1 calc PR D 2
H184 H 1.3429 0.3720 0.4253 0.183 Uiso 0.59(3) 1 calc PR D 2
H185 H 1.3871 0.3861 0.3875 0.183 Uiso 0.59(3) 1 calc PR D 2
C91 C 0.7018(3) 0.6096(4) 0.3705(2) 0.0484(16) Uani 1 1 d . . .
C92 C 0.6696(3) 0.6705(4) 0.34300(19) 0.0490(16) Uani 1 1 d . . .
H40 H 0.6926 0.7017 0.3238 0.059 Uiso 1 1 calc R . .
C93 C 0.6037(3) 0.6873(4) 0.3429(2) 0.0542(16) Uani 1 1 d . . .
C94 C 0.5730(3) 0.6412(5) 0.3719(2) 0.065(2) Uani 1 1 d . . .
H41 H 0.5285 0.6523 0.3728 0.078 Uiso 1 1 calc R . .
C95 C 0.6039(3) 0.5797(5) 0.3998(2) 0.064(2) Uani 1 1 d . B .
C96 C 0.6690(3) 0.5634(4) 0.3987(2) 0.0600(18) Uani 1 1 d . . .
H42 H 0.6911 0.5208 0.4173 0.072 Uiso 1 1 calc R . .
C97 C 0.5670(3) 0.7554(5) 0.3123(2) 0.0606(19) Uani 1 1 d . . .
C98 C 0.5020(4) 0.7232(6) 0.2896(4) 0.107(3) Uani 1 1 d . . .
H128 H 0.5083 0.6723 0.2725 0.160 Uiso 1 1 calc R . .
H129 H 0.4807 0.7669 0.2697 0.160 Uiso 1 1 calc R . .
H130 H 0.4748 0.7095 0.3121 0.160 Uiso 1 1 calc R . .
C99 C 0.5551(4) 0.8341(5) 0.3409(3) 0.093(3) Uani 1 1 d . . .
H131 H 0.5376 0.8805 0.3213 0.140 Uiso 1 1 calc R . .
H132 H 0.5962 0.8518 0.3587 0.140 Uiso 1 1 calc R . .
H133 H 0.5241 0.8194 0.3606 0.140 Uiso 1 1 calc R . .
C100 C 0.6054(4) 0.7876(5) 0.2771(3) 0.091(3) Uani 1 1 d . . .
H134 H 0.6143 0.7405 0.2581 0.136 Uiso 1 1 calc R . .
H135 H 0.6465 0.8120 0.2917 0.136 Uiso 1 1 calc R . .
H136 H 0.5801 0.8310 0.2590 0.136 Uiso 1 1 calc R . .
C101 C 0.5667(4) 0.5312(6) 0.4319(3) 0.085(3) Uani 1 1 d . . .
C102 C 0.6069(11) 0.4631(16) 0.4570(11) 0.143(13) Uani 0.545(12) 1 d P B 5
H165 H 0.6490 0.4865 0.4704 0.214 Uiso 0.545(12) 1 calc PR B 5
H166 H 0.6136 0.4172 0.4366 0.214 Uiso 0.545(12) 1 calc PR B 5
H167 H 0.5844 0.4411 0.4805 0.214 Uiso 0.545(12) 1 calc PR B 5
C103 C 0.5518(12) 0.6001(12) 0.4673(6) 0.094(6) Uani 0.545(12) 1 d P B 5
H140 H 0.5179 0.6387 0.4532 0.141 Uiso 0.545(12) 1 calc PR B 5
H141 H 0.5914 0.6323 0.4779 0.141 Uiso 0.545(12) 1 calc PR B 5
H142 H 0.5370 0.5716 0.4924 0.141 Uiso 0.545(12) 1 calc PR B 5
C104 C 0.5029(13) 0.5012(15) 0.4108(8) 0.106(11) Uani 0.545(12) 1 d P B 5
H143 H 0.4840 0.4654 0.4316 0.158 Uiso 0.545(12) 1 calc PR B 5
H144 H 0.5075 0.4685 0.3842 0.158 Uiso 0.545(12) 1 calc PR B 5
H145 H 0.4744 0.5498 0.4024 0.158 Uiso 0.545(12) 1 calc PR B 5
C113 C 0.5662(16) 0.4309(16) 0.4142(13) 0.147(13) Uani 0.455(12) 1 d P B 6
H159 H 0.5439 0.4278 0.3834 0.220 Uiso 0.455(12) 1 calc PR B 6
H160 H 0.5436 0.3953 0.4331 0.220 Uiso 0.455(12) 1 calc PR B 6
H161 H 0.6110 0.4110 0.4157 0.220 Uiso 0.455(12) 1 calc PR B 6
C114 C 0.6003(16) 0.541(3) 0.4783(8) 0.149(13) Uani 0.455(12) 1 d P B 6
H162 H 0.6464 0.5272 0.4798 0.223 Uiso 0.455(12) 1 calc PR B 6
H163 H 0.5808 0.5030 0.4978 0.223 Uiso 0.455(12) 1 calc PR B 6
H164 H 0.5961 0.5997 0.4879 0.223 Uiso 0.455(12) 1 calc PR B 6
C115 C 0.4967(17) 0.552(2) 0.4257(16) 0.18(3) Uani 0.455(12) 1 d P B 6
H152 H 0.4760 0.5329 0.3962 0.271 Uiso 0.455(12) 1 calc PR B 6
H153 H 0.4912 0.6130 0.4283 0.271 Uiso 0.455(12) 1 calc PR B 6
H154 H 0.4766 0.5230 0.4485 0.271 Uiso 0.455(12) 1 calc PR B 6
C105 C 0.8517(4) 0.3206(5) 0.4167(3) 0.085(2) Uani 1 1 d . . .
H43 H 0.8407 0.3705 0.3968 0.102 Uiso 1 1 calc R . .
C106 C 0.1289(6) 0.4209(7) 0.4709(4) 0.133(4) Uani 1 1 d . . .
H44 H 0.1206 0.4597 0.4447 0.160 Uiso 1 1 calc R . .
N1 N 0.9848(2) 0.3786(3) 0.15008(14) 0.0390(11) Uani 1 1 d . . .
N2 N 0.9429(2) 0.4938(3) 0.08217(15) 0.0462(12) Uani 1 1 d . . .
H155 H 0.9804 0.4707 0.0931 0.055 Uiso 1 1 calc R . .
N3 N 1.0797(2) 0.5265(3) 0.06708(15) 0.0455(12) Uani 1 1 d . . .
N4 N 1.1223(2) 0.4175(3) 0.13780(15) 0.0397(11) Uani 1 1 d . . .
H156 H 1.0844 0.4351 0.1239 0.048 Uiso 1 1 calc R . .
N5 N 0.9899(2) 0.4559(3) 0.33964(14) 0.0400(11) Uani 1 1 d . . .
N6 N 1.0236(2) 0.6076(3) 0.38707(14) 0.0401(11) Uani 1 1 d . . .
H157 H 0.9873 0.5811 0.3767 0.048 Uiso 1 1 calc R . .
N7 N 0.8830(2) 0.6456(3) 0.39017(14) 0.0414(11) Uani 1 1 d . . .
N8 N 0.8497(2) 0.4931(3) 0.34353(15) 0.0429(12) Uani 1 1 d . . .
H158 H 0.8860 0.5203 0.3532 0.051 Uiso 1 1 calc R . .
Cl1 Cl 0.93315(12) 0.32724(16) 0.44010(9) 0.1132(8) Uani 1 1 d . . .
Cl2 Cl 0.83841(12) 0.22679(12) 0.38399(7) 0.0821(6) Uani 1 1 d . . .
Cl3 Cl 0.80118(12) 0.32111(17) 0.45728(7) 0.1096(8) Uani 1 1 d . . .
Cl4 Cl 0.21059(16) 0.4304(3) 0.49090(10) 0.1649(13) Uani 1 1 d . . .
Cl5 Cl 0.08126(18) 0.4559(2) 0.50620(11) 0.1609(12) Uani 1 1 d . . .
Cl6 Cl 0.10845(12) 0.32076(17) 0.44999(8) 0.1104(8) Uani 1 1 d . . .
Pt1 Pt 0.999406(11) 0.228616(16) 0.266286(7) 0.03924(11) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C20 1.372(7) . ?
C1 N1 1.380(6) . ?
C1 C2 1.476(7) . ?
C2 C3 1.344(7) . ?
C2 Pt1 2.024(5) . ?
C3 C4 1.440(7) . ?
C3 H1 0.9500 . ?
C4 N1 1.383(6) . ?
C4 C5 1.398(7) . ?
C5 C6 1.393(7) . ?
C5 C49 1.517(7) . ?
C6 N2 1.368(6) . ?
C6 C7 1.445(7) . ?
C7 C8 1.338(8) . ?
C7 H2 0.9500 . ?
C8 C9 1.449(8) . ?
C8 H3 0.9500 . ?
C9 N2 1.360(7) . ?
C9 C10 1.422(8) . ?
C10 C11 1.385(8) . ?
C10 H4 0.9500 . ?
C11 N3 1.388(7) . ?
C11 C12 1.417(8) . ?
C12 C13 1.354(8) . ?
C12 H5 0.9500 . ?
C13 C14 1.422(8) . ?
C13 H6 0.9500 . ?
C14 N3 1.380(6) . ?
C14 C15 1.397(7) . ?
C15 C16 1.399(7) . ?
C15 C63 1.500(7) . ?
C16 N4 1.368(6) . ?
C16 C17 1.444(8) . ?
C17 C18 1.355(8) . ?
C17 H7 0.9500 . ?
C18 C19 1.439(7) . ?
C18 H8 0.9500 . ?
C19 N4 1.352(7) . ?
C19 C20 1.408(7) . ?
C20 H9 0.9500 . ?
C21 C40 1.382(7) . ?
C21 N5 1.398(6) . ?
C21 C22 1.426(7) . ?
C22 C23 1.359(7) . ?
C22 Pt1 2.035(5) . ?
C23 C24 1.423(8) . ?
C23 H10 0.9500 . ?
C24 N5 1.382(6) . ?
C24 C25 1.398(7) . ?
C25 C26 1.411(8) . ?
C25 C77 1.500(7) . ?
C26 N6 1.357(7) . ?
C26 C27 1.456(7) . ?
C27 C28 1.318(8) . ?
C27 H11 0.9500 . ?
C28 C29 1.452(8) . ?
C28 H12 0.9500 . ?
C29 N6 1.335(7) . ?
C29 C30 1.397(8) . ?
C30 C31 1.383(8) . ?
C30 H13 0.9500 . ?
C31 N7 1.394(7) . ?
C31 C32 1.411(8) . ?
C32 C33 1.354(9) . ?
C32 H14 0.9500 . ?
C33 C34 1.420(8) . ?
C33 H15 0.9500 . ?
C34 N7 1.375(7) . ?
C34 C35 1.393(8) . ?
C35 C36 1.405(8) . ?
C35 C91 1.501(7) . ?
C36 N8 1.373(7) . ?
C36 C37 1.452(8) . ?
C37 C38 1.360(8) . ?
C37 H16 0.9500 . ?
C38 C39 1.444(8) . ?
C38 H17 0.9500 . ?
C39 N8 1.351(7) . ?
C39 C40 1.386(7) . ?
C40 H18 0.9500 . ?
C41 C42 1.350(8) . ?
C41 C48 1.510(8) . ?
C41 Pt1 2.252(5) . ?
C41 H19 0.9500 . ?
C42 C43 1.513(8) . ?
C42 Pt1 2.232(5) . ?
C42 H20 0.9500 . ?
C43 C44 1.529(8) . ?
C43 H21 0.9900 . ?
C43 H22 0.9900 . ?
C44 C45 1.527(8) . ?
C44 H23 0.9900 . ?
C44 H24 0.9900 . ?
C45 C46 1.348(8) . ?
C45 Pt1 2.265(5) . ?
C45 H25 0.9500 . ?
C46 C47 1.510(8) . ?
C46 Pt1 2.225(5) . ?
C46 H26 0.9500 . ?
C47 C48 1.536(8) . ?
C47 H27 0.9900 . ?
C47 H28 0.9900 . ?
C48 H29 0.9900 . ?
C48 H30 0.9900 . ?
C49 C54 1.380(7) . ?
C49 C50 1.397(7) . ?
C50 C51 1.403(7) . ?
C50 H31 0.9500 . ?
C51 C52 1.391(8) . ?
C51 C55 1.547(8) . ?
C52 C53 1.386(8) . ?
C52 H32 0.9500 . ?
C53 C54 1.400(7) . ?
C53 C59 1.516(9) . ?
C54 H33 0.9500 . ?
C55 C57 1.521(9) . ?
C55 C56 1.529(8) . ?
C55 C58 1.552(8) . ?
C56 H47 0.9800 . ?
C56 H48 0.9800 . ?
C56 H49 0.9800 . ?
C57 H50 0.9800 . ?
C57 H51 0.9800 . ?
C57 H52 0.9800 . ?
C58 H53 0.9800 . ?
C58 H54 0.9800 . ?
C58 H55 0.9800 . ?
C59 C109 1.41(2) . ?
C59 C61 1.452(15) . ?
C59 C107 1.55(2) . ?
C59 C60 1.567(16) . ?
C59 C62 1.598(15) . ?
C59 C108 1.65(2) . ?
C60 H56 0.9800 . ?
C60 H57 0.9800 . ?
C60 H58 0.9800 . ?
C61 H59 0.9800 . ?
C61 H60 0.9800 . ?
C61 H61 0.9800 . ?
C62 H62 0.9800 . ?
C62 H63 0.9800 . ?
C62 H64 0.9800 . ?
C107 H65 0.9800 . ?
C107 H66 0.9800 . ?
C107 H67 0.9800 . ?
C108 H68 0.9800 . ?
C108 H69 0.9800 . ?
C108 H70 0.9800 . ?
C109 H71 0.9800 . ?
C109 H72 0.9800 . ?
C109 H73 0.9800 . ?
C63 C68 1.375(8) . ?
C63 C64 1.392(8) . ?
C64 C65 1.404(8) . ?
C64 H34 0.9500 . ?
C65 C66 1.398(10) . ?
C65 C69 1.532(9) . ?
C66 C67 1.380(9) . ?
C66 H35 0.9500 . ?
C67 C68 1.398(8) . ?
C67 C73 1.544(10) . ?
C68 H36 0.9500 . ?
C69 C111 1.416(18) . ?
C69 C72 1.463(15) . ?
C69 C112 1.47(2) . ?
C69 C71 1.56(2) . ?
C69 C70 1.702(17) . ?
C69 C110 1.717(17) . ?
C70 H74 0.9800 . ?
C70 H75 0.9800 . ?
C70 H76 0.9800 . ?
C71 H77 0.9800 . ?
C71 H78 0.9800 . ?
C71 H79 0.9800 . ?
C72 H80 0.9800 . ?
C72 H81 0.9800 . ?
C72 H82 0.9800 . ?
C110 H83 0.9800 . ?
C110 H84 0.9800 . ?
C110 H85 0.9800 . ?
C111 H86 0.9800 . ?
C111 H87 0.9800 . ?
C111 H88 0.9800 . ?
C112 H89 0.9800 . ?
C112 H90 0.9800 . ?
C112 H91 0.9800 . ?
C73 C76 1.458(11) . ?
C73 C74 1.549(10) . ?
C73 C75 1.546(11) . ?
C74 H92 0.9800 . ?
C74 H93 0.9800 . ?
C74 H94 0.9800 . ?
C75 H95 0.9800 . ?
C75 H96 0.9800 . ?
C75 H97 0.9800 . ?
C76 H98 0.9800 . ?
C76 H99 0.9800 . ?
C76 H100 0.9800 . ?
C77 C82 1.376(8) . ?
C77 C78 1.392(8) . ?
C78 C79 1.398(8) . ?
C78 H37 0.9500 . ?
C79 C80 1.387(9) . ?
C79 C83 1.535(9) . ?
C80 C81 1.388(9) . ?
C80 H38 0.9500 . ?
C81 C82 1.398(8) . ?
C81 C87 1.530(10) . ?
C82 H39 0.9500 . ?
C83 C86 1.45(2) . ?
C83 C118 1.45(3) . ?
C83 C116 1.53(2) . ?
C83 C84 1.56(2) . ?
C83 C85 1.590(19) . ?
C83 C117 1.63(2) . ?
C84 H101 0.9800 . ?
C84 H102 0.9800 . ?
C84 H103 0.9800 . ?
C85 H104 0.9800 . ?
C85 H105 0.9800 . ?
C85 H106 0.9800 . ?
C86 H107 0.9800 . ?
C86 H108 0.9800 . ?
C86 H109 0.9800 . ?
C116 H110 0.9800 . ?
C116 H111 0.9800 . ?
C116 H112 0.9800 . ?
C117 H113 0.9800 . ?
C117 H114 0.9800 . ?
C117 H115 0.9800 . ?
C118 H116 0.9800 . ?
C118 H117 0.9800 . ?
C118 H118 0.9800 . ?
C87 C88 1.47(2) . ?
C87 C121 1.47(2) . ?
C87 C89 1.48(4) . ?
C87 C120 1.59(3) . ?
C87 C119 1.624(19) . ?
C87 C90 1.65(3) . ?
C88 H168 0.9800 . ?
C88 H169 0.9800 . ?
C88 H170 0.9800 . ?
C89 H171 0.9800 . ?
C89 H172 0.9800 . ?
C89 H173 0.9800 . ?
C90 H174 0.9800 . ?
C90 H175 0.9800 . ?
C90 H176 0.9800 . ?
C119 H177 0.9800 . ?
C119 H178 0.9800 . ?
C119 H179 0.9800 . ?
C120 H180 0.9800 . ?
C120 H181 0.9800 . ?
C120 H182 0.9800 . ?
C121 H183 0.9800 . ?
C121 H184 0.9800 . ?
C121 H185 0.9800 . ?
C91 C92 1.380(8) . ?
C91 C96 1.389(8) . ?
C92 C93 1.401(8) . ?
C92 H40 0.9500 . ?
C93 C94 1.381(9) . ?
C93 C97 1.545(9) . ?
C94 C95 1.383(9) . ?
C94 H41 0.9500 . ?
C95 C96 1.389(8) . ?
C95 C101 1.546(9) . ?
C96 H42 0.9500 . ?
C97 C98 1.511(10) . ?
C97 C100 1.525(10) . ?
C97 C99 1.562(10) . ?
C98 H128 0.9800 . ?
C98 H129 0.9800 . ?
C98 H130 0.9800 . ?
C99 H131 0.9800 . ?
C99 H132 0.9800 . ?
C99 H133 0.9800 . ?
C100 H134 0.9800 . ?
C100 H135 0.9800 . ?
C100 H136 0.9800 . ?
C101 C104 1.46(2) . ?
C101 C114 1.48(3) . ?
C101 C115 1.48(3) . ?
C101 C102 1.50(2) . ?
C101 C103 1.598(19) . ?
C101 C113 1.67(3) . ?
C102 H165 0.9800 . ?
C102 H166 0.9800 . ?
C102 H167 0.9800 . ?
C103 H140 0.9800 . ?
C103 H141 0.9800 . ?
C103 H142 0.9800 . ?
C104 H143 0.9800 . ?
C104 H144 0.9800 . ?
C104 H145 0.9800 . ?
C113 H159 0.9800 . ?
C113 H160 0.9800 . ?
C113 H161 0.9800 . ?
C114 H162 0.9800 . ?
C114 H163 0.9800 . ?
C114 H164 0.9800 . ?
C115 H152 0.9800 . ?
C115 H153 0.9800 . ?
C115 H154 0.9800 . ?
C105 Cl1 1.739(8) . ?
C105 Cl3 1.750(8) . ?
C105 Cl2 1.783(8) . ?
C105 H43 1.0000 . ?
C106 Cl5 1.671(10) . ?
C106 Cl4 1.725(12) . ?
C106 Cl6 1.734(11) . ?
C106 H44 1.0000 . ?
N2 H155 0.8800 . ?
N4 H156 0.8800 . ?
N6 H157 0.8800 . ?
N8 H158 0.8800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C20 C1 N1 126.1(5) . . ?
C20 C1 C2 126.5(5) . . ?
N1 C1 C2 107.3(5) . . ?
C3 C2 C1 106.5(5) . . ?
C3 C2 Pt1 131.6(4) . . ?
C1 C2 Pt1 121.7(4) . . ?
C2 C3 C4 109.8(5) . . ?
C2 C3 H1 125.1 . . ?
C4 C3 H1 125.1 . . ?
N1 C4 C5 124.1(5) . . ?
N1 C4 C3 107.0(5) . . ?
C5 C4 C3 128.7(5) . . ?
C6 C5 C4 124.0(5) . . ?
C6 C5 C49 116.8(5) . . ?
C4 C5 C49 119.1(5) . . ?
N2 C6 C5 125.4(5) . . ?
N2 C6 C7 109.9(5) . . ?
C5 C6 C7 124.5(5) . . ?
C8 C7 C6 107.8(5) . . ?
C8 C7 H2 126.1 . . ?
C6 C7 H2 126.1 . . ?
C7 C8 C9 105.6(5) . . ?
C7 C8 H3 127.2 . . ?
C9 C8 H3 127.2 . . ?
N2 C9 C10 125.7(5) . . ?
N2 C9 C8 111.3(5) . . ?
C10 C9 C8 122.8(6) . . ?
C11 C10 C9 128.3(6) . . ?
C11 C10 H4 115.8 . . ?
C9 C10 H4 115.8 . . ?
C10 C11 N3 125.9(5) . . ?
C10 C11 C12 127.3(6) . . ?
N3 C11 C12 106.8(5) . . ?
C13 C12 C11 109.0(6) . . ?
C13 C12 H5 125.5 . . ?
C11 C12 H5 125.5 . . ?
C12 C13 C14 107.9(6) . . ?
C12 C13 H6 126.0 . . ?
C14 C13 H6 126.0 . . ?
N3 C14 C15 124.2(5) . . ?
N3 C14 C13 107.4(5) . . ?
C15 C14 C13 128.3(5) . . ?
C16 C15 C14 124.0(5) . . ?
C16 C15 C63 119.0(5) . . ?
C14 C15 C63 117.0(5) . . ?
N4 C16 C15 125.4(5) . . ?
N4 C16 C17 110.4(5) . . ?
C15 C16 C17 124.2(5) . . ?
C18 C17 C16 105.9(5) . . ?
C18 C17 H7 127.0 . . ?
C16 C17 H7 127.0 . . ?
C17 C18 C19 107.1(6) . . ?
C17 C18 H8 126.4 . . ?
C19 C18 H8 126.4 . . ?
N4 C19 C20 126.1(5) . . ?
N4 C19 C18 110.5(5) . . ?
C20 C19 C18 123.4(5) . . ?
C1 C20 C19 129.1(5) . . ?
C1 C20 H9 115.5 . . ?
C19 C20 H9 115.5 . . ?
C40 C21 N5 124.7(5) . . ?
C40 C21 C22 128.1(5) . . ?
N5 C21 C22 107.2(5) . . ?
C23 C22 C21 108.0(5) . . ?
C23 C22 Pt1 125.1(4) . . ?
C21 C22 Pt1 126.6(4) . . ?
C22 C23 C24 108.8(5) . . ?
C22 C23 H10 125.6 . . ?
C24 C23 H10 125.6 . . ?
N5 C24 C25 124.8(5) . . ?
N5 C24 C23 107.3(5) . . ?
C25 C24 C23 127.9(5) . . ?
C24 C25 C26 123.7(5) . . ?
C24 C25 C77 115.9(5) . . ?
C26 C25 C77 120.2(5) . . ?
N6 C26 C25 126.3(5) . . ?
N6 C26 C27 109.4(5) . . ?
C25 C26 C27 124.3(5) . . ?
C28 C27 C26 106.2(6) . . ?
C28 C27 H11 126.9 . . ?
C26 C27 H11 126.9 . . ?
C27 C28 C29 107.7(6) . . ?
C27 C28 H12 126.1 . . ?
C29 C28 H12 126.1 . . ?
N6 C29 C30 127.3(6) . . ?
N6 C29 C28 109.4(5) . . ?
C30 C29 C28 123.2(6) . . ?
C31 C30 C29 128.8(6) . . ?
C31 C30 H13 115.6 . . ?
C29 C30 H13 115.6 . . ?
C30 C31 N7 125.2(5) . . ?
C30 C31 C32 127.6(6) . . ?
N7 C31 C32 107.1(5) . . ?
C33 C32 C31 108.2(6) . . ?
C33 C32 H14 125.9 . . ?
C31 C32 H14 125.9 . . ?
C32 C33 C34 108.9(6) . . ?
C32 C33 H15 125.5 . . ?
C34 C33 H15 125.5 . . ?
N7 C34 C35 124.6(5) . . ?
N7 C34 C33 106.8(5) . . ?
C35 C34 C33 128.5(6) . . ?
C34 C35 C36 124.7(5) . . ?
C34 C35 C91 117.4(5) . . ?
C36 C35 C91 118.0(6) . . ?
N8 C36 C35 125.4(6) . . ?
N8 C36 C37 109.4(5) . . ?
C35 C36 C37 125.2(6) . . ?
C38 C37 C36 106.6(6) . . ?
C38 C37 H16 126.7 . . ?
C36 C37 H16 126.7 . . ?
C37 C38 C39 106.6(6) . . ?
C37 C38 H17 126.7 . . ?
C39 C38 H17 126.7 . . ?
N8 C39 C40 126.6(5) . . ?
N8 C39 C38 110.4(5) . . ?
C40 C39 C38 123.0(6) . . ?
C39 C40 C21 129.7(6) . . ?
C39 C40 H18 115.1 . . ?
C21 C40 H18 115.1 . . ?
C42 C41 C48 126.0(6) . . ?
C42 C41 Pt1 71.6(3) . . ?
C48 C41 Pt1 110.3(4) . . ?
C42 C41 H19 117.0 . . ?
C48 C41 H19 117.0 . . ?
Pt1 C41 H19 88.0 . . ?
C41 C42 C43 127.5(6) . . ?
C41 C42 Pt1 73.3(3) . . ?
C43 C42 Pt1 106.2(4) . . ?
C41 C42 H20 116.3 . . ?
C43 C42 H20 116.3 . . ?
Pt1 C42 H20 90.5 . . ?
C42 C43 C44 113.6(5) . . ?
C42 C43 H21 108.8 . . ?
C44 C43 H21 108.8 . . ?
C42 C43 H22 108.8 . . ?
C44 C43 H22 108.8 . . ?
H21 C43 H22 107.7 . . ?
C45 C44 C43 114.7(5) . . ?
C45 C44 H23 108.6 . . ?
C43 C44 H23 108.6 . . ?
C45 C44 H24 108.6 . . ?
C43 C44 H24 108.6 . . ?
H23 C44 H24 107.6 . . ?
C46 C45 C44 126.9(6) . . ?
C46 C45 Pt1 70.9(3) . . ?
C44 C45 Pt1 109.2(4) . . ?
C46 C45 H25 116.5 . . ?
C44 C45 H25 116.5 . . ?
Pt1 C45 H25 89.9 . . ?
C45 C46 C47 126.0(6) . . ?
C45 C46 Pt1 74.2(3) . . ?
C47 C46 Pt1 105.3(4) . . ?
C45 C46 H26 117.0 . . ?
C47 C46 H26 117.0 . . ?
Pt1 C46 H26 90.6 . . ?
C46 C47 C48 115.1(5) . . ?
C46 C47 H27 108.5 . . ?
C48 C47 H27 108.5 . . ?
C46 C47 H28 108.5 . . ?
C48 C47 H28 108.5 . . ?
H27 C47 H28 107.5 . . ?
C41 C48 C47 113.2(5) . . ?
C41 C48 H29 108.9 . . ?
C47 C48 H29 108.9 . . ?
C41 C48 H30 108.9 . . ?
C47 C48 H30 108.9 . . ?
H29 C48 H30 107.7 . . ?
C54 C49 C50 119.9(5) . . ?
C54 C49 C5 120.4(5) . . ?
C50 C49 C5 119.4(5) . . ?
C49 C50 C51 119.9(6) . . ?
C49 C50 H31 120.0 . . ?
C51 C50 H31 120.0 . . ?
C52 C51 C50 118.2(6) . . ?
C52 C51 C55 120.3(6) . . ?
C50 C51 C55 121.5(6) . . ?
C53 C52 C51 123.1(6) . . ?
C53 C52 H32 118.4 . . ?
C51 C52 H32 118.4 . . ?
C52 C53 C54 117.1(6) . . ?
C52 C53 C59 121.7(6) . . ?
C54 C53 C59 121.1(6) . . ?
C49 C54 C53 121.6(6) . . ?
C49 C54 H33 119.2 . . ?
C53 C54 H33 119.2 . . ?
C57 C55 C56 108.8(5) . . ?
C57 C55 C58 109.9(6) . . ?
C56 C55 C58 108.3(6) . . ?
C57 C55 C51 109.5(5) . . ?
C56 C55 C51 112.5(5) . . ?
C58 C55 C51 107.8(5) . . ?
C55 C56 H47 109.5 . . ?
C55 C56 H48 109.5 . . ?
H47 C56 H48 109.5 . . ?
C55 C56 H49 109.5 . . ?
H47 C56 H49 109.5 . . ?
H48 C56 H49 109.5 . . ?
C55 C57 H50 109.5 . . ?
C55 C57 H51 109.5 . . ?
H50 C57 H51 109.5 . . ?
C55 C57 H52 109.5 . . ?
H50 C57 H52 109.5 . . ?
H51 C57 H52 109.5 . . ?
C55 C58 H53 109.5 . . ?
C55 C58 H54 109.5 . . ?
H53 C58 H54 109.5 . . ?
C55 C58 H55 109.5 . . ?
H53 C58 H55 109.5 . . ?
H54 C58 H55 109.5 . . ?
C109 C59 C61 130.9(12) . . ?
C109 C59 C53 115.0(11) . . ?
C61 C59 C53 113.2(7) . . ?
C109 C59 C107 108.5(13) . . ?
C61 C59 C107 58.5(10) . . ?
C53 C59 C107 113.2(8) . . ?
C109 C59 C60 40.6(10) . . ?
C61 C59 C60 110.6(10) . . ?
C53 C59 C60 112.2(8) . . ?
C107 C59 C60 133.5(10) . . ?
C109 C59 C62 65.1(11) . . ?
C61 C59 C62 109.3(10) . . ?
C53 C59 C62 106.3(7) . . ?
C107 C59 C62 52.7(9) . . ?
C60 C59 C62 104.8(10) . . ?
C109 C59 C108 109.5(13) . . ?
C61 C59 C108 45.3(9) . . ?
C53 C59 C108 107.6(8) . . ?
C107 C59 C108 102.4(13) . . ?
C60 C59 C108 72.5(10) . . ?
C62 C59 C108 144.1(10) . . ?
C59 C60 H56 109.5 . . ?
C59 C60 H57 109.5 . . ?
C59 C60 H58 109.5 . . ?
C59 C61 H59 109.5 . . ?
C59 C61 H60 109.5 . . ?
C59 C61 H61 109.5 . . ?
C59 C62 H62 109.5 . . ?
C59 C62 H63 109.5 . . ?
C59 C62 H64 109.5 . . ?
C59 C107 H65 109.5 . . ?
C59 C107 H66 109.5 . . ?
H65 C107 H66 109.5 . . ?
C59 C107 H67 109.5 . . ?
H65 C107 H67 109.5 . . ?
H66 C107 H67 109.5 . . ?
C59 C108 H68 109.5 . . ?
C59 C108 H69 109.5 . . ?
H68 C108 H69 109.5 . . ?
C59 C108 H70 109.5 . . ?
H68 C108 H70 109.5 . . ?
H69 C108 H70 109.5 . . ?
C59 C109 H71 109.5 . . ?
C59 C109 H72 109.5 . . ?
H71 C109 H72 109.5 . . ?
C59 C109 H73 109.5 . . ?
H71 C109 H73 109.5 . . ?
H72 C109 H73 109.5 . . ?
C68 C63 C64 120.2(6) . . ?
C68 C63 C15 120.6(5) . . ?
C64 C63 C15 119.2(5) . . ?
C63 C64 C65 120.7(6) . . ?
C63 C64 H34 119.7 . . ?
C65 C64 H34 119.7 . . ?
C66 C65 C64 117.0(6) . . ?
C66 C65 C69 122.5(7) . . ?
C64 C65 C69 120.4(7) . . ?
C67 C66 C65 123.3(7) . . ?
C67 C66 H35 118.4 . . ?
C65 C66 H35 118.4 . . ?
C66 C67 C68 117.8(7) . . ?
C66 C67 C73 121.8(6) . . ?
C68 C67 C73 120.3(7) . . ?
C63 C68 C67 121.0(6) . . ?
C63 C68 H36 119.5 . . ?
C67 C68 H36 119.5 . . ?
C111 C69 C72 50.4(9) . . ?
C111 C69 C112 121.6(13) . . ?
C72 C69 C112 134.7(12) . . ?
C111 C69 C65 109.1(9) . . ?
C72 C69 C65 115.7(8) . . ?
C112 C69 C65 108.8(10) . . ?
C111 C69 C71 139.2(12) . . ?
C72 C69 C71 115.7(11) . . ?
C112 C69 C71 34.5(9) . . ?
C65 C69 C71 110.8(9) . . ?
C111 C69 C70 57.6(10) . . ?
C72 C69 C70 102.4(11) . . ?
C112 C69 C70 68.0(11) . . ?
C65 C69 C70 111.1(7) . . ?
C71 C69 C70 99.6(11) . . ?
C111 C69 C110 106.4(11) . . ?
C72 C69 C110 56.1(9) . . ?
C112 C69 C110 105.1(12) . . ?
C65 C69 C110 104.4(8) . . ?
C71 C69 C110 71.3(10) . . ?
C70 C69 C110 144.2(9) . . ?
C69 C70 H74 109.5 . . ?
C69 C70 H75 109.5 . . ?
C69 C70 H76 109.5 . . ?
C69 C71 H77 109.5 . . ?
C69 C71 H78 109.5 . . ?
C69 C71 H79 109.5 . . ?
C69 C72 H80 109.5 . . ?
C69 C72 H81 109.5 . . ?
C69 C72 H82 109.5 . . ?
C69 C110 H83 109.5 . . ?
C69 C110 H84 109.5 . . ?
C69 C110 H85 109.5 . . ?
C69 C111 H86 109.5 . . ?
C69 C111 H87 109.5 . . ?
C69 C111 H88 109.5 . . ?
C69 C112 H89 109.5 . . ?
C69 C112 H90 109.5 . . ?
C69 C112 H91 109.5 . . ?
C76 C73 C67 111.1(7) . . ?
C76 C73 C74 109.9(9) . . ?
C67 C73 C74 112.8(7) . . ?
C76 C73 C75 109.6(8) . . ?
C67 C73 C75 107.2(7) . . ?
C74 C73 C75 106.0(6) . . ?
C73 C74 H92 109.5 . . ?
C73 C74 H93 109.5 . . ?
H92 C74 H93 109.5 . . ?
C73 C74 H94 109.5 . . ?
H92 C74 H94 109.5 . . ?
H93 C74 H94 109.5 . . ?
C73 C75 H95 109.5 . . ?
C73 C75 H96 109.5 . . ?
H95 C75 H96 109.5 . . ?
C73 C75 H97 109.5 . . ?
H95 C75 H97 109.5 . . ?
H96 C75 H97 109.5 . . ?
C73 C76 H98 109.5 . . ?
C73 C76 H99 109.5 . . ?
H98 C76 H99 109.5 . . ?
C73 C76 H100 109.5 . . ?
H98 C76 H100 109.5 . . ?
H99 C76 H100 109.5 . . ?
C82 C77 C78 119.1(6) . . ?
C82 C77 C25 122.0(6) . . ?
C78 C77 C25 118.7(5) . . ?
C77 C78 C79 121.5(6) . . ?
C77 C78 H37 119.2 . . ?
C79 C78 H37 119.2 . . ?
C80 C79 C78 116.7(6) . . ?
C80 C79 C83 122.6(6) . . ?
C78 C79 C83 120.6(7) . . ?
C81 C80 C79 124.0(7) . . ?
C81 C80 H38 118.0 . . ?
C79 C80 H38 118.0 . . ?
C80 C81 C82 116.7(6) . . ?
C80 C81 C87 122.4(7) . . ?
C82 C81 C87 120.9(7) . . ?
C77 C82 C81 121.9(6) . . ?
C77 C82 H39 119.0 . . ?
C81 C82 H39 119.0 . . ?
C86 C83 C118 132.2(15) . . ?
C86 C83 C79 115.6(11) . . ?
C118 C83 C79 109.6(11) . . ?
C86 C83 C116 62.4(12) . . ?
C118 C83 C116 116.6(15) . . ?
C79 C83 C116 108.4(9) . . ?
C86 C83 C84 113.1(14) . . ?
C118 C83 C84 34.6(10) . . ?
C79 C83 C84 107.8(10) . . ?
C116 C83 C84 140.9(13) . . ?
C86 C83 C85 104.2(12) . . ?
C118 C83 C85 71.2(12) . . ?
C79 C83 C85 111.6(8) . . ?
C116 C83 C85 48.2(10) . . ?
C84 C83 C85 103.9(12) . . ?
C86 C83 C117 41.5(11) . . ?
C118 C83 C117 110.1(13) . . ?
C79 C83 C117 108.1(10) . . ?
C116 C83 C117 103.6(13) . . ?
C84 C83 C117 78.6(12) . . ?
C85 C83 C117 137.0(11) . . ?
C83 C84 H101 109.5 . . ?
C83 C84 H102 109.5 . . ?
C83 C84 H103 109.5 . . ?
C83 C85 H104 109.5 . . ?
C83 C85 H105 109.5 . . ?
C83 C85 H106 109.5 . . ?
C83 C86 H107 109.5 . . ?
C83 C86 H108 109.5 . . ?
C83 C86 H109 109.5 . . ?
C83 C116 H110 109.5 . . ?
C83 C116 H111 109.5 . . ?
C83 C116 H112 109.5 . . ?
C83 C117 H113 109.5 . . ?
C83 C117 H114 109.5 . . ?
C83 C117 H115 109.5 . . ?
C83 C118 H116 109.5 . . ?
C83 C118 H117 109.5 . . ?
C83 C118 H118 109.5 . . ?
C88 C87 C121 68.9(13) . . ?
C88 C87 C89 114(2) . . ?
C121 C87 C89 133.7(19) . . ?
C88 C87 C81 118.3(15) . . ?
C121 C87 C81 111.1(13) . . ?
C89 C87 C81 107.1(16) . . ?
C88 C87 C120 121.7(18) . . ?
C121 C87 C120 111.7(14) . . ?
C89 C87 C120 24.8(18) . . ?
C81 C87 C120 115.0(10) . . ?
C88 C87 C119 41.6(11) . . ?
C121 C87 C119 110.1(13) . . ?
C89 C87 C119 81.8(19) . . ?
C81 C87 C119 107.0(9) . . ?
C120 C87 C119 101.3(14) . . ?
C88 C87 C90 102.0(15) . . ?
C121 C87 C90 34.2(12) . . ?
C89 C87 C90 112(2) . . ?
C81 C87 C90 102.9(13) . . ?
C120 C87 C90 87.5(17) . . ?
C119 C87 C90 141.3(13) . . ?
C87 C88 H168 109.4 . . ?
C87 C88 H169 109.5 . . ?
H168 C88 H169 109.5 . . ?
C87 C88 H170 109.5 . . ?
H168 C88 H170 109.5 . . ?
H169 C88 H170 109.5 . . ?
C87 C89 H171 109.5 . . ?
C87 C89 H172 109.5 . . ?
H171 C89 H172 109.5 . . ?
C87 C89 H173 109.5 . . ?
H171 C89 H173 109.5 . . ?
H172 C89 H173 109.5 . . ?
C87 C90 H174 109.5 . . ?
C87 C90 H175 109.5 . . ?
H174 C90 H175 109.5 . . ?
C87 C90 H176 109.5 . . ?
H174 C90 H176 109.5 . . ?
H175 C90 H176 109.5 . . ?
C87 C119 H177 109.5 . . ?
C87 C119 H178 109.5 . . ?
H177 C119 H178 109.5 . . ?
C87 C119 H179 109.5 . . ?
H177 C119 H179 109.5 . . ?
H178 C119 H179 109.5 . . ?
C87 C120 H180 109.5 . . ?
C87 C120 H181 109.5 . . ?
H180 C120 H181 109.5 . . ?
C87 C120 H182 109.5 . . ?
H180 C120 H182 109.5 . . ?
H181 C120 H182 109.5 . . ?
C87 C121 H183 109.5 . . ?
C87 C121 H184 109.5 . . ?
H183 C121 H184 109.5 . . ?
C87 C121 H185 109.5 . . ?
H183 C121 H185 109.5 . . ?
H184 C121 H185 109.5 . . ?
C92 C91 C96 120.2(6) . . ?
C92 C91 C35 120.0(5) . . ?
C96 C91 C35 119.8(6) . . ?
C91 C92 C93 121.1(6) . . ?
C91 C92 H40 119.4 . . ?
C93 C92 H40 119.4 . . ?
C94 C93 C92 117.0(6) . . ?
C94 C93 C97 121.2(6) . . ?
C92 C93 C97 121.7(6) . . ?
C93 C94 C95 123.1(7) . . ?
C93 C94 H41 118.5 . . ?
C95 C94 H41 118.5 . . ?
C94 C95 C96 118.7(7) . . ?
C94 C95 C101 120.3(7) . . ?
C96 C95 C101 121.0(7) . . ?
C91 C96 C95 119.8(6) . . ?
C91 C96 H42 120.1 . . ?
C95 C96 H42 120.1 . . ?
C98 C97 C100 109.0(7) . . ?
C98 C97 C93 111.4(6) . . ?
C100 C97 C93 113.0(6) . . ?
C98 C97 C99 108.2(7) . . ?
C100 C97 C99 105.9(7) . . ?
C93 C97 C99 109.1(6) . . ?
C97 C98 H128 109.5 . . ?
C97 C98 H129 109.5 . . ?
H128 C98 H129 109.5 . . ?
C97 C98 H130 109.5 . . ?
H128 C98 H130 109.5 . . ?
H129 C98 H130 109.5 . . ?
C97 C99 H131 109.5 . . ?
C97 C99 H132 109.5 . . ?
H131 C99 H132 109.5 . . ?
C97 C99 H133 109.5 . . ?
H131 C99 H133 109.5 . . ?
H132 C99 H133 109.5 . . ?
C97 C100 H134 109.5 . . ?
C97 C100 H135 109.5 . . ?
H134 C100 H135 109.5 . . ?
C97 C100 H136 109.5 . . ?
H134 C100 H136 109.5 . . ?
H135 C100 H136 109.5 . . ?
C104 C101 C114 135.5(15) . . ?
C104 C101 C115 37.2(17) . . ?
C114 C101 C115 114(2) . . ?
C104 C101 C102 112.9(16) . . ?
C114 C101 C102 56.4(17) . . ?
C115 C101 C102 133.2(15) . . ?
C104 C101 C95 113.3(12) . . ?
C114 C101 C95 110.0(11) . . ?
C115 C101 C95 113.3(15) . . ?
C102 C101 C95 112.5(9) . . ?
C104 C101 C103 104.9(14) . . ?
C114 C101 C103 53.0(15) . . ?
C115 C101 C103 69.1(18) . . ?
C102 C101 C103 107.3(17) . . ?
C95 C101 C103 105.1(9) . . ?
C104 C101 C113 66.0(14) . . ?
C114 C101 C113 112.6(19) . . ?
C115 C101 C113 102.2(19) . . ?
C102 C101 C113 57.2(14) . . ?
C95 C101 C113 104.0(11) . . ?
C103 C101 C113 150.6(13) . . ?
C101 C102 H165 109.5 . . ?
C101 C102 H166 109.5 . . ?
H165 C102 H166 109.5 . . ?
C101 C102 H167 109.5 . . ?
H165 C102 H167 109.5 . . ?
H166 C102 H167 109.5 . . ?
C101 C103 H140 109.5 . . ?
C101 C103 H141 109.5 . . ?
C101 C103 H142 109.5 . . ?
C101 C104 H143 109.5 . . ?
C101 C104 H144 109.5 . . ?
C101 C104 H145 109.5 . . ?
C101 C113 H159 109.5 . . ?
C101 C113 H160 109.5 . . ?
H159 C113 H160 109.5 . . ?
C101 C113 H161 109.5 . . ?
H159 C113 H161 109.5 . . ?
H160 C113 H161 109.5 . . ?
C101 C114 H162 109.5 . . ?
C101 C114 H163 109.5 . . ?
H162 C114 H163 109.5 . . ?
C101 C114 H164 109.5 . . ?
H162 C114 H164 109.5 . . ?
H163 C114 H164 109.5 . . ?
C101 C115 H152 109.5 . . ?
C101 C115 H153 109.5 . . ?
C101 C115 H154 109.5 . . ?
Cl1 C105 Cl3 111.7(4) . . ?
Cl1 C105 Cl2 109.6(5) . . ?
Cl3 C105 Cl2 110.0(5) . . ?
Cl1 C105 H43 108.5 . . ?
Cl3 C105 H43 108.5 . . ?
Cl2 C105 H43 108.5 . . ?
Cl5 C106 Cl4 113.5(7) . . ?
Cl5 C106 Cl6 113.7(6) . . ?
Cl4 C106 Cl6 112.5(7) . . ?
Cl5 C106 H44 105.4 . . ?
Cl4 C106 H44 105.4 . . ?
Cl6 C106 H44 105.4 . . ?
C1 N1 C4 109.3(5) . . ?
C9 N2 C6 105.3(5) . . ?
C9 N2 H155 127.3 . . ?
C6 N2 H155 127.3 . . ?
C14 N3 C11 108.9(5) . . ?
C19 N4 C16 106.1(5) . . ?
C19 N4 H156 127.0 . . ?
C16 N4 H156 127.0 . . ?
C24 N5 C21 108.7(5) . . ?
C29 N6 C26 107.2(5) . . ?
C29 N6 H157 126.4 . . ?
C26 N6 H157 126.4 . . ?
C34 N7 C31 109.0(5) . . ?
C39 N8 C36 106.9(5) . . ?
C39 N8 H158 126.5 . . ?
C36 N8 H158 126.5 . . ?
C2 Pt1 C22 88.2(2) . . ?
C2 Pt1 C46 159.7(2) . . ?
C22 Pt1 C46 91.0(2) . . ?
C2 Pt1 C42 92.8(2) . . ?
C22 Pt1 C42 157.4(2) . . ?
C46 Pt1 C42 95.7(2) . . ?
C2 Pt1 C41 95.7(2) . . ?
C22 Pt1 C41 167.0(2) . . ?
C46 Pt1 C41 81.1(2) . . ?
C42 Pt1 C41 35.0(2) . . ?
C2 Pt1 C45 165.4(2) . . ?
C22 Pt1 C45 92.8(2) . . ?
C46 Pt1 C45 34.9(2) . . ?
C42 Pt1 C45 80.8(2) . . ?
C41 Pt1 C45 86.6(2) . . ?

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
C20 C1 C2 C3 -179.9(5) . . . . ?
N1 C1 C2 C3 0.8(6) . . . . ?
C20 C1 C2 Pt1 4.4(8) . . . . ?
N1 C1 C2 Pt1 -174.9(3) . . . . ?
C1 C2 C3 C4 -0.7(6) . . . . ?
Pt1 C2 C3 C4 174.4(4) . . . . ?
C2 C3 C4 N1 0.4(6) . . . . ?
C2 C3 C4 C5 -174.2(6) . . . . ?
N1 C4 C5 C6 -4.4(9) . . . . ?
C3 C4 C5 C6 169.4(6) . . . . ?
N1 C4 C5 C49 177.7(5) . . . . ?
C3 C4 C5 C49 -8.5(9) . . . . ?
C4 C5 C6 N2 6.1(9) . . . . ?
C49 C5 C6 N2 -176.0(5) . . . . ?
C4 C5 C6 C7 -168.9(6) . . . . ?
C49 C5 C6 C7 9.0(8) . . . . ?
N2 C6 C7 C8 -0.4(7) . . . . ?
C5 C6 C7 C8 175.3(6) . . . . ?
C6 C7 C8 C9 1.1(7) . . . . ?
C7 C8 C9 N2 -1.6(7) . . . . ?
C7 C8 C9 C10 174.2(6) . . . . ?
N2 C9 C10 C11 -3.7(11) . . . . ?
C8 C9 C10 C11 -178.9(7) . . . . ?
C9 C10 C11 N3 -4.2(12) . . . . ?
C9 C10 C11 C12 175.6(7) . . . . ?
C10 C11 C12 C13 178.3(7) . . . . ?
N3 C11 C12 C13 -1.9(8) . . . . ?
C11 C12 C13 C14 0.7(8) . . . . ?
C12 C13 C14 N3 0.7(7) . . . . ?
C12 C13 C14 C15 -175.1(6) . . . . ?
N3 C14 C15 C16 0.7(9) . . . . ?
C13 C14 C15 C16 175.9(6) . . . . ?
N3 C14 C15 C63 -179.0(5) . . . . ?
C13 C14 C15 C63 -3.8(9) . . . . ?
C14 C15 C16 N4 3.1(9) . . . . ?
C63 C15 C16 N4 -177.3(5) . . . . ?
C14 C15 C16 C17 -176.1(6) . . . . ?
C63 C15 C16 C17 3.5(9) . . . . ?
N4 C16 C17 C18 0.7(7) . . . . ?
C15 C16 C17 C18 180.0(6) . . . . ?
C16 C17 C18 C19 0.3(7) . . . . ?
C17 C18 C19 N4 -1.2(7) . . . . ?
C17 C18 C19 C20 178.8(6) . . . . ?
N1 C1 C20 C19 -0.2(10) . . . . ?
C2 C1 C20 C19 -179.4(6) . . . . ?
N4 C19 C20 C1 1.5(10) . . . . ?
C18 C19 C20 C1 -178.4(6) . . . . ?
C40 C21 C22 C23 177.3(6) . . . . ?
N5 C21 C22 C23 0.1(6) . . . . ?
C40 C21 C22 Pt1 -9.5(9) . . . . ?
N5 C21 C22 Pt1 173.3(4) . . . . ?
C21 C22 C23 C24 -0.4(7) . . . . ?
Pt1 C22 C23 C24 -173.6(4) . . . . ?
C22 C23 C24 N5 0.5(6) . . . . ?
C22 C23 C24 C25 -177.6(5) . . . . ?
N5 C24 C25 C26 0.1(9) . . . . ?
C23 C24 C25 C26 177.8(5) . . . . ?
N5 C24 C25 C77 -175.5(5) . . . . ?
C23 C24 C25 C77 2.2(8) . . . . ?
C24 C25 C26 N6 -3.3(9) . . . . ?
C77 C25 C26 N6 172.1(5) . . . . ?
C24 C25 C26 C27 176.0(5) . . . . ?
C77 C25 C26 C27 -8.5(8) . . . . ?
N6 C26 C27 C28 -1.2(7) . . . . ?
C25 C26 C27 C28 179.3(6) . . . . ?
C26 C27 C28 C29 0.8(7) . . . . ?
C27 C28 C29 N6 -0.1(7) . . . . ?
C27 C28 C29 C30 -177.8(6) . . . . ?
N6 C29 C30 C31 2.5(11) . . . . ?
C28 C29 C30 C31 179.8(6) . . . . ?
C29 C30 C31 N7 -2.1(10) . . . . ?
C29 C30 C31 C32 178.4(6) . . . . ?
C30 C31 C32 C33 -179.4(6) . . . . ?
N7 C31 C32 C33 1.1(7) . . . . ?
C31 C32 C33 C34 -0.8(7) . . . . ?
C32 C33 C34 N7 0.1(7) . . . . ?
C32 C33 C34 C35 177.2(6) . . . . ?
N7 C34 C35 C36 1.0(9) . . . . ?
C33 C34 C35 C36 -175.6(6) . . . . ?
N7 C34 C35 C91 -179.0(5) . . . . ?
C33 C34 C35 C91 4.4(9) . . . . ?
C34 C35 C36 N8 -2.6(9) . . . . ?
C91 C35 C36 N8 177.3(5) . . . . ?
C34 C35 C36 C37 179.2(5) . . . . ?
C91 C35 C36 C37 -0.8(9) . . . . ?
N8 C36 C37 C38 -0.5(7) . . . . ?
C35 C36 C37 C38 177.9(6) . . . . ?
C36 C37 C38 C39 -0.5(7) . . . . ?
C37 C38 C39 N8 1.4(7) . . . . ?
C37 C38 C39 C40 179.8(6) . . . . ?
N8 C39 C40 C21 1.2(10) . . . . ?
C38 C39 C40 C21 -177.0(6) . . . . ?
N5 C21 C40 C39 1.5(10) . . . . ?
C22 C21 C40 C39 -175.3(6) . . . . ?
C48 C41 C42 C43 -4.2(9) . . . . ?
Pt1 C41 C42 C43 97.9(6) . . . . ?
C48 C41 C42 Pt1 -102.2(5) . . . . ?
C41 C42 C43 C44 -38.0(9) . . . . ?
Pt1 C42 C43 C44 43.2(6) . . . . ?
C42 C43 C44 C45 -37.7(8) . . . . ?
C43 C44 C45 C46 91.4(8) . . . . ?
C43 C44 C45 Pt1 11.3(7) . . . . ?
C44 C45 C46 C47 -2.5(9) . . . . ?
Pt1 C45 C46 C47 97.6(6) . . . . ?
C44 C45 C46 Pt1 -100.1(6) . . . . ?
C45 C46 C47 C48 -38.4(8) . . . . ?
Pt1 C46 C47 C48 42.9(6) . . . . ?
C42 C41 C48 C47 92.9(7) . . . . ?
Pt1 C41 C48 C47 11.3(7) . . . . ?
C46 C47 C48 C41 -37.7(8) . . . . ?
C6 C5 C49 C54 81.1(7) . . . . ?
C4 C5 C49 C54 -100.9(7) . . . . ?
C6 C5 C49 C50 -93.9(7) . . . . ?
C4 C5 C49 C50 84.1(7) . . . . ?
C54 C49 C50 C51 -2.4(9) . . . . ?
C5 C49 C50 C51 172.6(5) . . . . ?
C49 C50 C51 C52 3.0(9) . . . . ?
C49 C50 C51 C55 -175.1(5) . . . . ?
C50 C51 C52 C53 -2.0(9) . . . . ?
C55 C51 C52 C53 176.0(6) . . . . ?
C51 C52 C53 C54 0.4(9) . . . . ?
C51 C52 C53 C59 -179.6(6) . . . . ?
C50 C49 C54 C53 0.8(9) . . . . ?
C5 C49 C54 C53 -174.2(5) . . . . ?
C52 C53 C54 C49 0.2(9) . . . . ?
C59 C53 C54 C49 -179.7(6) . . . . ?
C52 C51 C55 C57 62.3(7) . . . . ?
C50 C51 C55 C57 -119.7(6) . . . . ?
C52 C51 C55 C56 -176.6(6) . . . . ?
C50 C51 C55 C56 1.4(8) . . . . ?
C52 C51 C55 C58 -57.2(8) . . . . ?
C50 C51 C55 C58 120.8(6) . . . . ?
C52 C53 C59 C109 43.5(15) . . . . ?
C54 C53 C59 C109 -136.6(14) . . . . ?
C52 C53 C59 C61 -126.9(10) . . . . ?
C54 C53 C59 C61 53.0(11) . . . . ?
C52 C53 C59 C107 168.9(11) . . . . ?
C54 C53 C59 C107 -11.2(13) . . . . ?
C52 C53 C59 C60 -0.9(12) . . . . ?
C54 C53 C59 C60 179.0(10) . . . . ?
C52 C53 C59 C62 113.1(9) . . . . ?
C54 C53 C59 C62 -67.0(10) . . . . ?
C52 C53 C59 C108 -78.8(12) . . . . ?
C54 C53 C59 C108 101.2(11) . . . . ?
C16 C15 C63 C68 -87.9(7) . . . . ?
C14 C15 C63 C68 91.8(7) . . . . ?
C16 C15 C63 C64 93.1(7) . . . . ?
C14 C15 C63 C64 -87.2(7) . . . . ?
C68 C63 C64 C65 0.7(9) . . . . ?
C15 C63 C64 C65 179.7(6) . . . . ?
C63 C64 C65 C66 -1.5(9) . . . . ?
C63 C64 C65 C69 -179.9(6) . . . . ?
C64 C65 C66 C67 1.4(10) . . . . ?
C69 C65 C66 C67 179.7(7) . . . . ?
C65 C66 C67 C68 -0.4(10) . . . . ?
C65 C66 C67 C73 176.1(7) . . . . ?
C64 C63 C68 C67 0.3(9) . . . . ?
C15 C63 C68 C67 -178.7(6) . . . . ?
C66 C67 C68 C63 -0.5(10) . . . . ?
C73 C67 C68 C63 -177.1(6) . . . . ?
C66 C65 C69 C111 113.3(11) . . . . ?
C64 C65 C69 C111 -68.5(12) . . . . ?
C66 C65 C69 C72 58.9(13) . . . . ?
C64 C65 C69 C72 -122.9(11) . . . . ?
C66 C65 C69 C112 -112.0(12) . . . . ?
C64 C65 C69 C112 66.2(13) . . . . ?
C66 C65 C69 C71 -75.3(12) . . . . ?
C64 C65 C69 C71 102.9(11) . . . . ?
C66 C65 C69 C70 175.0(9) . . . . ?
C64 C65 C69 C70 -6.8(12) . . . . ?
C66 C65 C69 C110 -0.1(12) . . . . ?
C64 C65 C69 C110 178.1(9) . . . . ?
C66 C67 C73 C76 143.7(9) . . . . ?
C68 C67 C73 C76 -39.8(11) . . . . ?
C66 C67 C73 C74 19.8(11) . . . . ?
C68 C67 C73 C74 -163.8(7) . . . . ?
C66 C67 C73 C75 -96.5(8) . . . . ?
C68 C67 C73 C75 80.0(9) . . . . ?
C24 C25 C77 C82 -60.6(7) . . . . ?
C26 C25 C77 C82 123.7(6) . . . . ?
C24 C25 C77 C78 113.7(6) . . . . ?
C26 C25 C77 C78 -62.0(7) . . . . ?
C82 C77 C78 C79 2.9(9) . . . . ?
C25 C77 C78 C79 -171.5(5) . . . . ?
C77 C78 C79 C80 -1.7(9) . . . . ?
C77 C78 C79 C83 174.9(6) . . . . ?
C78 C79 C80 C81 0.5(10) . . . . ?
C83 C79 C80 C81 -176.0(6) . . . . ?
C79 C80 C81 C82 -0.5(10) . . . . ?
C79 C80 C81 C87 179.6(7) . . . . ?
C78 C77 C82 C81 -3.0(9) . . . . ?
C25 C77 C82 C81 171.3(6) . . . . ?
C80 C81 C82 C77 1.8(10) . . . . ?
C87 C81 C82 C77 -178.4(6) . . . . ?
C80 C79 C83 C86 -46.9(19) . . . . ?
C78 C79 C83 C86 136.7(17) . . . . ?
C80 C79 C83 C118 117.3(16) . . . . ?
C78 C79 C83 C118 -59.1(16) . . . . ?
C80 C79 C83 C116 -114.4(15) . . . . ?
C78 C79 C83 C116 69.2(16) . . . . ?
C80 C79 C83 C84 80.8(14) . . . . ?
C78 C79 C83 C84 -95.6(13) . . . . ?
C80 C79 C83 C85 -165.8(13) . . . . ?
C78 C79 C83 C85 17.8(14) . . . . ?
C80 C79 C83 C117 -2.7(16) . . . . ?
C78 C79 C83 C117 -179.1(14) . . . . ?
C80 C81 C87 C88 -4(2) . . . . ?
C82 C81 C87 C88 176(2) . . . . ?
C80 C81 C87 C121 72.5(17) . . . . ?
C82 C81 C87 C121 -107.3(16) . . . . ?
C80 C81 C87 C89 -134(2) . . . . ?
C82 C81 C87 C89 46(2) . . . . ?
C80 C81 C87 C120 -159.4(14) . . . . ?
C82 C81 C87 C120 20.8(16) . . . . ?
C80 C81 C87 C119 -47.8(17) . . . . ?
C82 C81 C87 C119 132.4(15) . . . . ?
C80 C81 C87 C90 107.3(19) . . . . ?
C82 C81 C87 C90 -72.5(19) . . . . ?
C34 C35 C91 C92 74.0(7) . . . . ?
C36 C35 C91 C92 -106.0(7) . . . . ?
C34 C35 C91 C96 -107.1(7) . . . . ?
C36 C35 C91 C96 72.9(8) . . . . ?
C96 C91 C92 C93 0.1(9) . . . . ?
C35 C91 C92 C93 179.0(6) . . . . ?
C91 C92 C93 C94 1.1(10) . . . . ?
C91 C92 C93 C97 179.9(6) . . . . ?
C92 C93 C94 C95 -1.2(11) . . . . ?
C97 C93 C94 C95 180.0(7) . . . . ?
C93 C94 C95 C96 0.2(11) . . . . ?
C93 C94 C95 C101 179.3(7) . . . . ?
C92 C91 C96 C95 -1.1(10) . . . . ?
C35 C91 C96 C95 180.0(6) . . . . ?
C94 C95 C96 C91 0.9(11) . . . . ?
C101 C95 C96 C91 -178.1(7) . . . . ?
C94 C93 C97 C98 -46.5(10) . . . . ?
C92 C93 C97 C98 134.7(8) . . . . ?
C94 C93 C97 C100 -169.6(7) . . . . ?
C92 C93 C97 C100 11.6(10) . . . . ?
C94 C93 C97 C99 72.9(8) . . . . ?
C92 C93 C97 C99 -105.9(7) . . . . ?
C94 C95 C101 C104 46.4(16) . . . . ?
C96 C95 C101 C104 -134.6(14) . . . . ?
C94 C95 C101 C114 -123(2) . . . . ?
C96 C95 C101 C114 56(2) . . . . ?
C94 C95 C101 C115 6(3) . . . . ?
C96 C95 C101 C115 -175(2) . . . . ?
C94 C95 C101 C102 176.0(19) . . . . ?
C96 C95 C101 C102 -5(2) . . . . ?
C94 C95 C101 C103 -67.5(14) . . . . ?
C96 C95 C101 C103 111.5(12) . . . . ?
C94 C95 C101 C113 116.0(17) . . . . ?
C96 C95 C101 C113 -65.0(18) . . . . ?
C20 C1 N1 C4 -179.9(5) . . . . ?
C2 C1 N1 C4 -0.6(6) . . . . ?
C5 C4 N1 C1 175.1(5) . . . . ?
C3 C4 N1 C1 0.1(6) . . . . ?
C10 C9 N2 C6 -174.4(6) . . . . ?
C8 C9 N2 C6 1.3(7) . . . . ?
C5 C6 N2 C9 -176.2(6) . . . . ?
C7 C6 N2 C9 -0.6(6) . . . . ?
C15 C14 N3 C11 174.2(6) . . . . ?
C13 C14 N3 C11 -1.9(6) . . . . ?
C10 C11 N3 C14 -177.8(6) . . . . ?
C12 C11 N3 C14 2.3(7) . . . . ?
C20 C19 N4 C16 -178.4(6) . . . . ?
C18 C19 N4 C16 1.6(6) . . . . ?
C15 C16 N4 C19 179.3(5) . . . . ?
C17 C16 N4 C19 -1.4(6) . . . . ?
C25 C24 N5 C21 177.8(5) . . . . ?
C23 C24 N5 C21 -0.4(6) . . . . ?
C40 C21 N5 C24 -177.2(5) . . . . ?
C22 C21 N5 C24 0.2(6) . . . . ?
C30 C29 N6 C26 176.9(6) . . . . ?
C28 C29 N6 C26 -0.7(6) . . . . ?
C25 C26 N6 C29 -179.4(5) . . . . ?
C27 C26 N6 C29 1.1(6) . . . . ?
C35 C34 N7 C31 -176.6(5) . . . . ?
C33 C34 N7 C31 0.5(6) . . . . ?
C30 C31 N7 C34 179.5(5) . . . . ?
C32 C31 N7 C34 -1.0(6) . . . . ?
C40 C39 N8 C36 179.9(6) . . . . ?
C38 C39 N8 C36 -1.7(6) . . . . ?
C35 C36 N8 C39 -177.0(6) . . . . ?
C37 C36 N8 C39 1.4(6) . . . . ?
C3 C2 Pt1 C22 -94.2(6) . . . . ?
C1 C2 Pt1 C22 80.3(4) . . . . ?
C3 C2 Pt1 C46 -6.4(10) . . . . ?
C1 C2 Pt1 C46 168.1(5) . . . . ?
C3 C2 Pt1 C42 108.4(6) . . . . ?
C1 C2 Pt1 C42 -77.1(4) . . . . ?
C3 C2 Pt1 C41 73.3(6) . . . . ?
C1 C2 Pt1 C41 -112.1(4) . . . . ?
C3 C2 Pt1 C45 171.8(7) . . . . ?
C1 C2 Pt1 C45 -13.7(11) . . . . ?
C23 C22 Pt1 C2 -102.8(5) . . . . ?
C21 C22 Pt1 C2 85.2(5) . . . . ?
C23 C22 Pt1 C46 97.5(5) . . . . ?
C21 C22 Pt1 C46 -74.5(5) . . . . ?
C23 C22 Pt1 C42 -10.0(9) . . . . ?
C21 C22 Pt1 C42 178.0(5) . . . . ?
C23 C22 Pt1 C41 149.4(8) . . . . ?
C21 C22 Pt1 C41 -22.6(13) . . . . ?
C23 C22 Pt1 C45 62.6(5) . . . . ?
C21 C22 Pt1 C45 -109.4(5) . . . . ?
C45 C46 Pt1 C2 179.2(5) . . . . ?
C47 C46 Pt1 C2 55.4(8) . . . . ?
C45 C46 Pt1 C22 -93.4(4) . . . . ?
C47 C46 Pt1 C22 142.8(4) . . . . ?
C45 C46 Pt1 C42 64.9(4) . . . . ?
C47 C46 Pt1 C42 -58.9(4) . . . . ?
C45 C46 Pt1 C41 96.9(4) . . . . ?
C47 C46 Pt1 C41 -26.9(4) . . . . ?
C47 C46 Pt1 C45 -123.8(6) . . . . ?
C41 C42 Pt1 C2 -96.0(4) . . . . ?
C43 C42 Pt1 C2 139.0(4) . . . . ?
C41 C42 Pt1 C22 172.1(5) . . . . ?
C43 C42 Pt1 C22 47.1(8) . . . . ?
C41 C42 Pt1 C46 65.5(4) . . . . ?
C43 C42 Pt1 C46 -59.5(4) . . . . ?
C43 C42 Pt1 C41 -125.0(6) . . . . ?
C41 C42 Pt1 C45 97.2(4) . . . . ?
C43 C42 Pt1 C45 -27.8(4) . . . . ?
C42 C41 Pt1 C2 86.7(4) . . . . ?
C48 C41 Pt1 C2 -150.8(4) . . . . ?
C42 C41 Pt1 C22 -166.4(9) . . . . ?
C48 C41 Pt1 C22 -43.8(12) . . . . ?
C42 C41 Pt1 C46 -113.5(4) . . . . ?
C48 C41 Pt1 C46 9.0(4) . . . . ?
C48 C41 Pt1 C42 122.6(6) . . . . ?
C42 C41 Pt1 C45 -78.8(4) . . . . ?
C48 C41 Pt1 C45 43.7(4) . . . . ?
C46 C45 Pt1 C2 -178.9(8) . . . . ?
C44 C45 Pt1 C2 -55.4(11) . . . . ?
C46 C45 Pt1 C22 87.7(4) . . . . ?
C44 C45 Pt1 C22 -148.7(5) . . . . ?
C44 C45 Pt1 C46 123.5(6) . . . . ?
C46 C45 Pt1 C42 -114.1(4) . . . . ?
C44 C45 Pt1 C42 9.5(5) . . . . ?
C46 C45 Pt1 C41 -79.3(4) . . . . ?
C44 C45 Pt1 C41 44.2(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
N2 H155 N1 0.88 2.26 2.792(6) 119.1 .
N2 H155 N3 0.88 2.50 3.008(6) 117.8 .
N4 H156 N3 0.88 2.25 2.793(7) 120.0 .
N4 H156 N1 0.88 2.51 3.016(6) 117.5 .
N6 H157 N5 0.88 2.28 2.831(6) 120.2 .
N6 H157 N7 0.88 2.49 3.011(6) 118.1 .
N8 H158 N7 0.88 2.28 2.829(7) 120.0 .
N8 H158 N5 0.88 2.49 3.006(6) 118.0 .

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        68.25
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         3.326
_refine_diff_density_min         -1.265
_refine_diff_density_rms         0.112
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_30219ji
_database_code_depnum_ccdc_archive 'CCDC 1406330'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
beta-to-beta Pt(II)-bridged Zn(II) diporphyrin
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C106 H120 N8 O2 Pt Zn2, 3(C H Cl3), 2(C O)'
_chemical_formula_sum            'C111 H123 Cl9 N8 O4 Pt Zn2'
_chemical_formula_weight         2278.05

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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'
Cl Cl 0.3639 0.7018 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.8426(3)
_cell_length_b                   20.1100(4)
_cell_length_c                   21.2677(4)
_cell_angle_alpha                63.3696(7)
_cell_angle_beta                 78.2695(7)
_cell_angle_gamma                71.6398(7)
_cell_volume                     5371.33(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    49345
_cell_measurement_theta_min      3.15
_cell_measurement_theta_max      68.28

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2336
_exptl_absorpt_coefficient_mu    5.392
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4119
_exptl_absorpt_correction_T_max  0.6147
_exptl_absorpt_process_details   
;
Higashi, T. (1995). 
 Program for Absorption Correction.
 Rigaku Corporation, Tokyo, Japan.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            58994
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         65.00
_reflns_number_total             17867
_reflns_number_gt                13911
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
calc w=1/[σ²(Fo²)+(0.1400P)²+19.7540P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         17867
_refine_ls_number_parameters     1254
_refine_ls_number_restraints     188
_refine_ls_R_factor_all          0.0946
_refine_ls_R_factor_gt           0.0791
_refine_ls_wR_factor_ref         0.2363
_refine_ls_wR_factor_gt          0.2151
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.4928(4) 0.3980(3) -0.0612(3) 0.0536(14) Uani 1 1 d . . .
O2 O 1.0643(5) 0.1287(4) 0.1810(4) 0.0692(18) Uani 1 1 d . . .
O3 O 0.6495(4) 0.3193(4) 0.0119(4) 0.0628(16) Uani 1 1 d . . .
C1 C 0.4413(5) 0.2806(4) 0.1373(4) 0.0406(17) Uani 1 1 d . . .
C2 C 0.5056(6) 0.2132(4) 0.1841(4) 0.0433(18) Uani 1 1 d . . .
H1 H 0.5184 0.2054 0.2293 0.052 Uiso 1 1 calc R . .
C3 C 0.5449(5) 0.1627(4) 0.1533(4) 0.0399(17) Uani 1 1 d . . .
C4 C 0.5046(5) 0.2007(4) 0.0847(4) 0.0409(17) Uani 1 1 d . . .
C5 C 0.5262(6) 0.1697(5) 0.0355(4) 0.0444(18) Uani 1 1 d . . .
H2 H 0.5733 0.1220 0.0473 0.053 Uiso 1 1 calc R . .
C6 C 0.4873(6) 0.1996(5) -0.0297(4) 0.0452(18) Uani 1 1 d . . .
C7 C 0.5100(6) 0.1630(5) -0.0771(4) 0.050(2) Uani 1 1 d . . .
H3 H 0.5555 0.1157 -0.0716 0.060 Uiso 1 1 calc R . .
C8 C 0.4539(6) 0.2089(5) -0.1311(4) 0.049(2) Uani 1 1 d . . .
H4 H 0.4521 0.1994 -0.1707 0.059 Uiso 1 1 calc R . .
C9 C 0.3973(6) 0.2747(5) -0.1180(4) 0.0470(19) Uani 1 1 d . . .
C10 C 0.3289(6) 0.3380(5) -0.1618(4) 0.0455(19) Uani 1 1 d . . .
C11 C 0.2760(5) 0.4006(5) -0.1486(4) 0.0433(18) Uani 1 1 d . . .
C12 C 0.2075(6) 0.4665(5) -0.1952(4) 0.048(2) Uani 1 1 d . . .
H5 H 0.1904 0.4726 -0.2385 0.057 Uiso 1 1 calc R . .
C13 C 0.1736(6) 0.5167(5) -0.1651(4) 0.0461(19) Uani 1 1 d . . .
H6 H 0.1288 0.5653 -0.1835 0.055 Uiso 1 1 calc R . .
C14 C 0.2183(6) 0.4828(5) -0.0996(4) 0.0445(18) Uani 1 1 d . . .
C15 C 0.1998(6) 0.5182(5) -0.0528(4) 0.0443(18) Uani 1 1 d . . .
H7 H 0.1561 0.5675 -0.0659 0.053 Uiso 1 1 calc R . .
C16 C 0.2403(6) 0.4866(5) 0.0112(4) 0.0440(18) Uani 1 1 d . . .
C17 C 0.2205(6) 0.5249(5) 0.0589(4) 0.0459(19) Uani 1 1 d . . .
H8 H 0.1791 0.5742 0.0519 0.055 Uiso 1 1 calc R . .
C18 C 0.2719(6) 0.4769(5) 0.1142(4) 0.0447(18) Uani 1 1 d . . .
H9 H 0.2740 0.4863 0.1538 0.054 Uiso 1 1 calc R . .
C19 C 0.3236(6) 0.4089(5) 0.1037(4) 0.0437(18) Uani 1 1 d . . .
C20 C 0.3874(6) 0.3446(5) 0.1496(4) 0.0411(17) Uani 1 1 d . . .
C21 C 0.3118(5) 0.3328(5) -0.2265(4) 0.0406(17) Uani 1 1 d . . .
C22 C 0.3825(6) 0.3378(5) -0.2816(4) 0.0453(19) Uani 1 1 d . . .
H10 H 0.4419 0.3434 -0.2774 0.054 Uiso 1 1 calc R . .
C23 C 0.3679(6) 0.3348(5) -0.3423(4) 0.049(2) Uani 1 1 d . . .
C24 C 0.2807(5) 0.3253(4) -0.3464(4) 0.0417(17) Uani 1 1 d . . .
H11 H 0.2700 0.3228 -0.3877 0.050 Uiso 1 1 calc R . .
C25 C 0.2085(6) 0.3193(5) -0.2923(4) 0.0446(18) Uani 1 1 d . . .
C26 C 0.2256(5) 0.3239(5) -0.2332(4) 0.0421(17) Uani 1 1 d . . .
H12 H 0.1770 0.3210 -0.1960 0.051 Uiso 1 1 calc R . .
C27 C 0.4461(6) 0.3397(5) -0.4031(4) 0.050(2) Uani 1 1 d . . .
C28 C 0.4113(7) 0.4127(6) -0.4695(5) 0.064(3) Uani 1 1 d . . .
H43 H 0.4609 0.4161 -0.5083 0.096 Uiso 1 1 calc R . .
H44 H 0.3975 0.4582 -0.4596 0.096 Uiso 1 1 calc R . .
H45 H 0.3534 0.4102 -0.4828 0.096 Uiso 1 1 calc R . .
C29 C 0.4659(7) 0.2691(6) -0.4194(5) 0.066(3) Uani 1 1 d . . .
H46 H 0.5147 0.2726 -0.4586 0.099 Uiso 1 1 calc R . .
H47 H 0.4073 0.2673 -0.4323 0.099 Uiso 1 1 calc R . .
H48 H 0.4883 0.2222 -0.3776 0.099 Uiso 1 1 calc R . .
C30 C 0.5380(7) 0.3432(8) -0.3862(5) 0.079(3) Uani 1 1 d . . .
H49 H 0.5848 0.3473 -0.4266 0.119 Uiso 1 1 calc R . .
H50 H 0.5624 0.2963 -0.3450 0.119 Uiso 1 1 calc R . .
H51 H 0.5264 0.3882 -0.3758 0.119 Uiso 1 1 calc R . .
C31 C 0.1096(6) 0.3118(5) -0.2966(5) 0.055(2) Uani 1 1 d . . .
C32 C 0.0864(7) 0.2409(6) -0.2295(6) 0.070(3) Uani 1 1 d . . .
H52 H 0.0843 0.2491 -0.1871 0.105 Uiso 1 1 calc R . .
H53 H 0.1360 0.1941 -0.2267 0.105 Uiso 1 1 calc R . .
H54 H 0.0246 0.2351 -0.2329 0.105 Uiso 1 1 calc R . .
C33 C 0.1076(9) 0.2945(11) -0.3584(7) 0.117(6) Uani 1 1 d . . .
H55 H 0.0441 0.2898 -0.3591 0.176 Uiso 1 1 calc R . .
H56 H 0.1548 0.2462 -0.3539 0.176 Uiso 1 1 calc R . .
H57 H 0.1226 0.3364 -0.4024 0.176 Uiso 1 1 calc R . .
C34 C 0.0335(8) 0.3817(7) -0.2935(7) 0.083(3) Uani 1 1 d . . .
H58 H 0.0407 0.3892 -0.2525 0.124 Uiso 1 1 calc R . .
H59 H -0.0296 0.3736 -0.2894 0.124 Uiso 1 1 calc R . .
H60 H 0.0402 0.4274 -0.3366 0.124 Uiso 1 1 calc R . .
C35 C 0.3966(5) 0.3473(4) 0.2177(4) 0.0405(17) Uani 1 1 d . . .
C36 C 0.3170(6) 0.3511(5) 0.2647(4) 0.0446(18) Uani 1 1 d . . .
H13 H 0.2594 0.3466 0.2559 0.054 Uiso 1 1 calc R . .
C37 C 0.3206(6) 0.3614(5) 0.3246(4) 0.0461(19) Uani 1 1 d . . .
C38 C 0.4074(6) 0.3656(4) 0.3377(4) 0.0425(18) Uani 1 1 d . . .
H14 H 0.4108 0.3720 0.3787 0.051 Uiso 1 1 calc R . .
C39 C 0.4884(5) 0.3604(4) 0.2919(4) 0.0416(17) Uani 1 1 d . . .
C40 C 0.4812(5) 0.3508(5) 0.2328(4) 0.0397(17) Uani 1 1 d . . .
H15 H 0.5361 0.3465 0.2014 0.048 Uiso 1 1 calc R . .
C41 C 0.2277(6) 0.3698(6) 0.3733(5) 0.054(2) Uani 1 1 d . . .
C42 C 0.1915(7) 0.2990(6) 0.3986(5) 0.067(3) Uani 1 1 d . . .
H61 H 0.1842 0.2910 0.3579 0.101 Uiso 1 1 calc R . .
H62 H 0.1298 0.3060 0.4253 0.101 Uiso 1 1 calc R . .
H63 H 0.2370 0.2541 0.4290 0.101 Uiso 1 1 calc R . .
C43 C 0.1492(6) 0.4394(6) 0.3282(5) 0.062(2) Uani 1 1 d . . .
H64 H 0.1390 0.4307 0.2887 0.092 Uiso 1 1 calc R . .
H65 H 0.1698 0.4868 0.3101 0.092 Uiso 1 1 calc R . .
H66 H 0.0896 0.4440 0.3578 0.092 Uiso 1 1 calc R . .
C44 C 0.2405(7) 0.3850(8) 0.4322(6) 0.078(3) Uani 1 1 d . . .
H67 H 0.1804 0.3895 0.4612 0.117 Uiso 1 1 calc R . .
H68 H 0.2600 0.4331 0.4134 0.117 Uiso 1 1 calc R . .
H69 H 0.2897 0.3425 0.4611 0.117 Uiso 1 1 calc R . .
C45 C 0.5810(6) 0.3683(5) 0.3071(4) 0.0459(19) Uani 1 1 d . . .
C46 C 0.6066(7) 0.3142(6) 0.3827(5) 0.060(2) Uani 1 1 d . . .
H70 H 0.6651 0.3208 0.3912 0.090 Uiso 1 1 calc R . .
H71 H 0.6166 0.2608 0.3897 0.090 Uiso 1 1 calc R . .
H72 H 0.5547 0.3262 0.4157 0.090 Uiso 1 1 calc R . .
C47 C 0.5654(7) 0.4511(6) 0.2973(6) 0.062(2) Uani 1 1 d . . .
H73 H 0.6235 0.4572 0.3067 0.092 Uiso 1 1 calc R . .
H74 H 0.5128 0.4628 0.3300 0.092 Uiso 1 1 calc R . .
H75 H 0.5498 0.4864 0.2487 0.092 Uiso 1 1 calc R . .
C48 C 0.6660(6) 0.3495(6) 0.2578(4) 0.053(2) Uani 1 1 d . . .
H76 H 0.7229 0.3558 0.2688 0.079 Uiso 1 1 calc R . .
H77 H 0.6526 0.3844 0.2087 0.079 Uiso 1 1 calc R . .
H78 H 0.6769 0.2962 0.2642 0.079 Uiso 1 1 calc R . .
C49 C 0.7193(8) -0.0623(5) 0.1998(7) 0.071(2) Uani 1 1 d U . .
H16 H 0.7532 -0.0416 0.1555 0.085 Uiso 1 1 calc R . .
C50 C 0.7313(8) -0.0533(6) 0.2568(6) 0.072(3) Uani 1 1 d U . .
H17 H 0.7782 -0.0274 0.2507 0.086 Uiso 1 1 calc R . .
C51 C 0.6779(9) -0.0799(8) 0.3301(7) 0.100(3) Uani 1 1 d U . .
H18 H 0.7005 -0.1367 0.3536 0.119 Uiso 1 1 calc R . .
H19 H 0.6970 -0.0588 0.3579 0.119 Uiso 1 1 calc R . .
C52 C 0.5735(8) -0.0599(6) 0.3344(5) 0.072(2) Uani 1 1 d U . .
H20 H 0.5496 -0.0475 0.3758 0.086 Uiso 1 1 calc R . .
H21 H 0.5535 -0.1061 0.3435 0.086 Uiso 1 1 calc R . .
C53 C 0.5249(7) 0.0058(6) 0.2714(5) 0.057(2) Uani 1 1 d U . .
H22 H 0.5006 0.0542 0.2742 0.068 Uiso 1 1 calc R . .
C54 C 0.5120(7) 0.0037(6) 0.2114(5) 0.057(2) Uani 1 1 d U . .
H23 H 0.4768 0.0492 0.1768 0.069 Uiso 1 1 calc R . .
C55 C 0.5509(8) -0.0679(7) 0.1962(6) 0.075(2) Uani 1 1 d U . .
H24 H 0.5091 -0.1029 0.2229 0.090 Uiso 1 1 calc R . .
H25 H 0.5461 -0.0520 0.1454 0.090 Uiso 1 1 calc R . .
C56 C 0.6449(9) -0.1097(7) 0.2120(8) 0.092(3) Uani 1 1 d U . .
H26 H 0.6687 -0.1401 0.1834 0.110 Uiso 1 1 calc R . .
H27 H 0.6438 -0.1467 0.2622 0.110 Uiso 1 1 calc R . .
C57 C 0.8445(6) 0.1788(4) 0.0660(4) 0.0407(17) Uani 1 1 d . . .
C58 C 0.7756(5) 0.1384(5) 0.0721(4) 0.0411(17) Uani 1 1 d . . .
H28 H 0.7579 0.1324 0.0348 0.049 Uiso 1 1 calc R . .
C59 C 0.7405(6) 0.1104(5) 0.1409(4) 0.0450(18) Uani 1 1 d . . .
C60 C 0.7908(5) 0.1336(5) 0.1775(4) 0.0430(18) Uani 1 1 d . . .
C61 C 0.7740(6) 0.1193(5) 0.2474(4) 0.0452(18) Uani 1 1 d . . .
H29 H 0.7320 0.0874 0.2740 0.054 Uiso 1 1 calc R . .
C62 C 0.8114(6) 0.1459(5) 0.2850(4) 0.0461(19) Uani 1 1 d . . .
C63 C 0.7900(6) 0.1301(5) 0.3581(4) 0.0465(19) Uani 1 1 d . . .
H30 H 0.7489 0.0996 0.3899 0.056 Uiso 1 1 calc R . .
C64 C 0.8387(6) 0.1662(5) 0.3736(4) 0.0438(18) Uani 1 1 d . . .
H31 H 0.8385 0.1662 0.4183 0.053 Uiso 1 1 calc R . .
C65 C 0.8916(5) 0.2053(5) 0.3093(4) 0.0403(17) Uani 1 1 d . . .
C66 C 0.9496(5) 0.2523(4) 0.3019(4) 0.0386(16) Uani 1 1 d . . .
C67 C 0.9946(6) 0.2948(5) 0.2391(4) 0.0433(18) Uani 1 1 d . . .
C68 C 1.0512(6) 0.3444(5) 0.2302(4) 0.049(2) Uani 1 1 d . . .
H32 H 1.0658 0.3538 0.2665 0.059 Uiso 1 1 calc R . .
C69 C 1.0807(6) 0.3759(5) 0.1606(5) 0.055(2) Uani 1 1 d . . .
H33 H 1.1189 0.4116 0.1391 0.066 Uiso 1 1 calc R . .
C70 C 1.0427(6) 0.3444(5) 0.1259(4) 0.0479(19) Uani 1 1 d . . .
C71 C 1.0568(6) 0.3613(5) 0.0542(4) 0.053(2) Uani 1 1 d . . .
H34 H 1.0945 0.3965 0.0265 0.063 Uiso 1 1 calc R . .
C72 C 1.0216(6) 0.3321(5) 0.0186(4) 0.0467(19) Uani 1 1 d . . .
C73 C 1.0377(7) 0.3542(5) -0.0574(4) 0.056(2) Uani 1 1 d . . .
H35 H 1.0734 0.3889 -0.0903 0.067 Uiso 1 1 calc R . .
C74 C 0.9908(6) 0.3146(5) -0.0709(4) 0.051(2) Uani 1 1 d . . .
H36 H 0.9872 0.3171 -0.1160 0.061 Uiso 1 1 calc R . .
C75 C 0.9472(5) 0.2680(5) -0.0052(4) 0.0413(17) Uani 1 1 d . . .
C76 C 0.8900(5) 0.2197(4) 0.0023(4) 0.0414(17) Uani 1 1 d . . .
C77 C 0.9595(5) 0.2561(5) 0.3693(4) 0.0413(17) Uani 1 1 d . . .
C78 C 1.0085(5) 0.1925(5) 0.4225(4) 0.0421(17) Uani 1 1 d . . .
H37 H 1.0428 0.1485 0.4138 0.051 Uiso 1 1 calc R . .
C79 C 1.0092(5) 0.1908(5) 0.4892(4) 0.0427(18) Uani 1 1 d . . .
C80 C 0.9611(6) 0.2561(5) 0.4982(4) 0.0458(19) Uani 1 1 d . . .
H38 H 0.9607 0.2559 0.5430 0.055 Uiso 1 1 calc R . .
C81 C 0.9119(5) 0.3238(5) 0.4459(4) 0.0434(18) Uani 1 1 d . . .
C82 C 0.9120(5) 0.3221(5) 0.3806(4) 0.0416(17) Uani 1 1 d . . .
H39 H 0.8792 0.3664 0.3437 0.050 Uiso 1 1 calc R . .
C83 C 1.0609(7) 0.1166(5) 0.5470(5) 0.059(2) Uani 1 1 d . . .
C84 C 1.0179(8) 0.0514(6) 0.5595(6) 0.077(3) Uani 1 1 d . . .
H79 H 1.0504 0.0037 0.5965 0.115 Uiso 1 1 calc R . .
H80 H 1.0256 0.0445 0.5158 0.115 Uiso 1 1 calc R . .
H81 H 0.9500 0.0644 0.5742 0.115 Uiso 1 1 calc R . .
C85 C 1.1669(7) 0.0965(6) 0.5238(7) 0.083(4) Uani 1 1 d . . .
H82 H 1.1998 0.0489 0.5608 0.125 Uiso 1 1 calc R . .
H83 H 1.1943 0.1384 0.5155 0.125 Uiso 1 1 calc R . .
H84 H 1.1745 0.0893 0.4802 0.125 Uiso 1 1 calc R . .
C86 C 1.0495(11) 0.1216(7) 0.6175(6) 0.098(4) Uani 1 1 d . . .
H85 H 1.0836 0.0725 0.6524 0.147 Uiso 1 1 calc R . .
H86 H 0.9818 0.1324 0.6333 0.147 Uiso 1 1 calc R . .
H87 H 1.0758 0.1629 0.6123 0.147 Uiso 1 1 calc R . .
C87 C 0.8554(6) 0.3932(5) 0.4611(4) 0.051(2) Uani 1 1 d . . .
C88 C 0.8159(6) 0.4623(5) 0.3957(5) 0.052(2) Uani 1 1 d . . .
H88 H 0.7756 0.4484 0.3746 0.078 Uiso 1 1 calc R . .
H89 H 0.8685 0.4785 0.3616 0.078 Uiso 1 1 calc R . .
H90 H 0.7779 0.5046 0.4085 0.078 Uiso 1 1 calc R . .
C89 C 0.7718(7) 0.3725(6) 0.5148(5) 0.068(3) Uani 1 1 d . . .
H91 H 0.7310 0.3569 0.4959 0.103 Uiso 1 1 calc R . .
H92 H 0.7348 0.4174 0.5242 0.103 Uiso 1 1 calc R . .
H93 H 0.7961 0.3300 0.5587 0.103 Uiso 1 1 calc R . .
C90 C 0.9189(7) 0.4166(6) 0.4927(5) 0.062(2) Uani 1 1 d . . .
H94 H 0.8818 0.4613 0.5023 0.093 Uiso 1 1 calc R . .
H95 H 0.9732 0.4298 0.4591 0.093 Uiso 1 1 calc R . .
H96 H 0.9421 0.3737 0.5367 0.093 Uiso 1 1 calc R . .
C91 C 0.8694(6) 0.2177(5) -0.0628(4) 0.0431(18) Uani 1 1 d . . .
C92 C 0.9052(6) 0.1501(5) -0.0725(4) 0.0473(19) Uani 1 1 d . . .
H40 H 0.9458 0.1069 -0.0397 0.057 Uiso 1 1 calc R . .
C93 C 0.8812(7) 0.1455(5) -0.1313(4) 0.053(2) Uani 1 1 d . A .
C94 C 0.8209(6) 0.2092(5) -0.1759(4) 0.050(2) Uani 1 1 d . . .
H41 H 0.8028 0.2055 -0.2143 0.060 Uiso 1 1 calc R . .
C95 C 0.7843(6) 0.2781(5) -0.1697(4) 0.0460(19) Uani 1 1 d . . .
C96 C 0.8113(6) 0.2809(5) -0.1111(4) 0.0437(18) Uani 1 1 d . . .
H42 H 0.7891 0.3274 -0.1048 0.052 Uiso 1 1 calc R . .
C97 C 0.9159(9) 0.0711(6) -0.1421(5) 0.077(3) Uani 1 1 d D . .
C101 C 0.7146(6) 0.3446(5) -0.2200(4) 0.050(2) Uani 1 1 d . . .
C102 C 0.7514(7) 0.3616(6) -0.2968(4) 0.062(2) Uani 1 1 d . . .
H121 H 0.7049 0.4045 -0.3280 0.092 Uiso 1 1 calc R . .
H122 H 0.7608 0.3159 -0.3055 0.092 Uiso 1 1 calc R . .
H123 H 0.8120 0.3752 -0.3060 0.092 Uiso 1 1 calc R . .
C103 C 0.6205(7) 0.3223(6) -0.2054(5) 0.065(3) Uani 1 1 d . . .
H124 H 0.5742 0.3644 -0.2374 0.097 Uiso 1 1 calc R . .
H125 H 0.5961 0.3125 -0.1565 0.097 Uiso 1 1 calc R . .
H126 H 0.6310 0.2757 -0.2130 0.097 Uiso 1 1 calc R . .
C104 C 0.6940(7) 0.4182(5) -0.2090(5) 0.058(2) Uani 1 1 d . . .
H127 H 0.6486 0.4593 -0.2425 0.087 Uiso 1 1 calc R . .
H128 H 0.7533 0.4334 -0.2169 0.087 Uiso 1 1 calc R . .
H129 H 0.6669 0.4090 -0.1607 0.087 Uiso 1 1 calc R . .
C105 C 1.0790(13) 0.0786(8) 0.2520(7) 0.135(7) Uani 1 1 d . . .
H115 H 1.1395 0.0396 0.2548 0.203 Uiso 1 1 calc R . .
H116 H 1.0269 0.0533 0.2727 0.203 Uiso 1 1 calc R . .
H117 H 1.0809 0.1080 0.2778 0.203 Uiso 1 1 calc R . .
C106 C 0.4796(7) 0.4743(6) -0.0774(6) 0.068(3) Uani 1 1 d . . .
H118 H 0.5393 0.4891 -0.0987 0.102 Uiso 1 1 calc R . .
H119 H 0.4601 0.4831 -0.0343 0.102 Uiso 1 1 calc R . .
H120 H 0.4301 0.5054 -0.1108 0.102 Uiso 1 1 calc R . .
C107 C 0.6655(7) 0.3338(5) 0.0697(5) 0.057(2) Uani 1 1 d . . .
C108 C 0.4440(8) 0.1594(7) 0.3965(6) 0.073(3) Uani 1 1 d . . .
H130 H 0.4259 0.2139 0.3610 0.088 Uiso 1 1 calc R . .
N1 N 0.4415(5) 0.2701(4) 0.0767(3) 0.0444(16) Uani 1 1 d . . .
N2 N 0.4195(5) 0.2680(4) -0.0554(3) 0.0441(15) Uani 1 1 d . . .
N3 N 0.2803(4) 0.4132(4) -0.0910(3) 0.0408(14) Uani 1 1 d . . .
N4 N 0.3026(5) 0.4167(4) 0.0400(3) 0.0418(15) Uani 1 1 d . . .
N5 N 0.8530(5) 0.1743(4) 0.1306(3) 0.0441(15) Uani 1 1 d . . .
N6 N 0.8740(4) 0.1914(4) 0.2562(3) 0.0416(15) Uani 1 1 d . . .
N7 N 0.9901(5) 0.2954(4) 0.1745(3) 0.0432(15) Uani 1 1 d . . .
N8 N 0.9678(5) 0.2796(4) 0.0481(3) 0.0440(15) Uani 1 1 d . . .
Pt1 Pt 0.63362(2) 0.057313(19) 0.189009(16) 0.04402(14) Uani 1 1 d . . .
Zn1 Zn 0.37401(7) 0.34856(6) -0.01336(5) 0.0423(3) Uani 1 1 d . . .
Zn2 Zn 0.93595(7) 0.22346(6) 0.15481(5) 0.0409(3) Uani 1 1 d . . .
Cl1 Cl 0.5596(2) 0.1210(3) 0.37424(16) 0.1090(13) Uani 1 1 d . . .
Cl2 Cl 0.4290(3) 0.1619(2) 0.47908(15) 0.1054(12) Uani 1 1 d . . .
Cl3 Cl 0.3700(4) 0.1115(4) 0.3889(4) 0.172(3) Uani 1 1 d . . .
C98 C 0.9648(19) 0.0008(12) -0.0832(11) 0.092(9) Uani 0.53(2) 1 d PDU A 1
H97 H 0.9243 -0.0066 -0.0393 0.138 Uiso 0.53(2) 1 calc PR A 1
H98 H 1.0254 0.0071 -0.0781 0.138 Uiso 0.53(2) 1 calc PR A 1
H99 H 0.9768 -0.0441 -0.0937 0.138 Uiso 0.53(2) 1 calc PR A 1
C99 C 0.9778(17) 0.0859(15) -0.2119(11) 0.100(10) Uani 0.53(2) 1 d PDU A 1
H100 H 0.9448 0.1330 -0.2492 0.151 Uiso 0.53(2) 1 calc PR A 1
H101 H 0.9897 0.0424 -0.2244 0.151 Uiso 0.53(2) 1 calc PR A 1
H102 H 1.0386 0.0918 -0.2066 0.151 Uiso 0.53(2) 1 calc PR A 1
C100 C 0.8283(15) 0.0521(13) -0.1544(13) 0.083(7) Uani 0.53(2) 1 d PDU A 1
H103 H 0.7931 0.0971 -0.1923 0.125 Uiso 0.53(2) 1 calc PR A 1
H104 H 0.7866 0.0388 -0.1109 0.125 Uiso 0.53(2) 1 calc PR A 1
H105 H 0.8504 0.0086 -0.1678 0.125 Uiso 0.53(2) 1 calc PR A 1
C111 C 1.0262(18) 0.0480(15) -0.1449(14) 0.096(10) Uani 0.47(2) 1 d PDU A 2
H106 H 1.0468 0.0514 -0.1058 0.144 Uiso 0.47(2) 1 calc PR A 2
H107 H 1.0513 0.0828 -0.1898 0.144 Uiso 0.47(2) 1 calc PR A 2
H108 H 1.0502 -0.0050 -0.1410 0.144 Uiso 0.47(2) 1 calc PR A 2
C112 C 0.8890(18) 0.0030(12) -0.0677(13) 0.076(7) Uani 0.47(2) 1 d PDU A 2
H109 H 0.9121 0.0048 -0.0286 0.114 Uiso 0.47(2) 1 calc PR A 2
H110 H 0.9189 -0.0472 -0.0693 0.114 Uiso 0.47(2) 1 calc PR A 2
H111 H 0.8197 0.0107 -0.0606 0.114 Uiso 0.47(2) 1 calc PR A 2
C113 C 0.877(2) 0.0715(17) -0.1982(15) 0.097(10) Uani 0.47(2) 1 d PDU A 2
H112 H 0.9032 0.0213 -0.2004 0.146 Uiso 0.47(2) 1 calc PR A 2
H113 H 0.8947 0.1116 -0.2428 0.146 Uiso 0.47(2) 1 calc PR A 2
H114 H 0.8080 0.0820 -0.1902 0.146 Uiso 0.47(2) 1 calc PR A 2
C109 C 0.3022(13) 0.8896(9) 0.4061(7) 0.131(6) Uiso 1 1 d D . .
H131 H 0.3672 0.8600 0.4227 0.157 Uiso 1 1 calc R . .
Cl4 Cl 0.2437(3) 0.8200(2) 0.4433(2) 0.1081(11) Uani 1 1 d D . .
Cl5 Cl 0.3243(3) 0.9180(3) 0.3177(2) 0.1485(19) Uani 1 1 d D . .
Cl6 Cl 0.2748(12) 0.9500(7) 0.4398(5) 0.410(3) Uani 1 1 d D . .
C114 C 0.250(4) 0.177(3) 0.259(3) 0.207(19) Uani 0.52(2) 1 d PDU B 1
O4 O 0.273(2) 0.1795(17) 0.189(2) 0.175(12) Uani 0.52(2) 1 d PDU B 1
C115 C 0.2660(13) 0.1669(11) 0.0785(11) 0.112(11) Uani 0.48(2) 1 d PDU B 2
O5 O 0.236(2) 0.174(2) 0.1505(16) 0.186(13) Uani 0.48(2) 1 d PDU B 2
Cl7 Cl 0.1922(4) 0.1647(4) -0.0066(5) 0.248(4) Uani 1 1 d D . .
Cl8 Cl 0.3444(6) 0.0477(4) 0.0768(6) 0.283(6) Uani 1 1 d D . .
Cl9 Cl 0.3042(8) 0.0353(6) -0.0287(4) 0.300(6) Uani 1 1 d D . .
C110 C 0.2973(17) 0.1066(13) 0.0006(13) 0.216(11) Uiso 1 1 d D . .
H133 H 0.3434 0.1373 -0.0303 0.259 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
O1 C106 1.370(11) . ?
O1 Zn1 2.144(6) . ?
O2 C105 1.404(14) . ?
O2 Zn2 2.183(6) . ?
O3 C107 1.462(11) . ?
C1 C20 1.391(11) . ?
C1 N1 1.395(9) . ?
C1 C2 1.450(11) . ?
C2 C3 1.369(11) . ?
C2 H1 0.9500 . ?
C3 C4 1.461(10) . ?
C3 Pt1 2.002(8) . ?
C4 N1 1.373(10) . ?
C4 C5 1.382(11) . ?
C5 C6 1.406(11) . ?
C5 H2 0.9500 . ?
C6 N2 1.371(10) . ?
C6 C7 1.431(11) . ?
C7 C8 1.348(11) . ?
C7 H3 0.9500 . ?
C8 C9 1.439(12) . ?
C8 H4 0.9500 . ?
C9 N2 1.375(10) . ?
C9 C10 1.424(11) . ?
C10 C11 1.374(12) . ?
C10 C21 1.501(10) . ?
C11 N3 1.374(10) . ?
C11 C12 1.468(11) . ?
C12 C13 1.346(12) . ?
C12 H5 0.9500 . ?
C13 C14 1.444(11) . ?
C13 H6 0.9500 . ?
C14 N3 1.366(10) . ?
C14 C15 1.405(11) . ?
C15 C16 1.392(11) . ?
C15 H7 0.9500 . ?
C16 N4 1.358(10) . ?
C16 C17 1.464(11) . ?
C17 C18 1.334(11) . ?
C17 H8 0.9500 . ?
C18 C19 1.432(11) . ?
C18 H9 0.9500 . ?
C19 N4 1.382(10) . ?
C19 C20 1.412(11) . ?
C20 C35 1.509(10) . ?
C21 C26 1.390(10) . ?
C21 C22 1.396(10) . ?
C22 C23 1.381(11) . ?
C22 H10 0.9500 . ?
C23 C24 1.391(11) . ?
C23 C27 1.542(11) . ?
C24 C25 1.394(11) . ?
C24 H11 0.9500 . ?
C25 C26 1.377(11) . ?
C25 C31 1.547(11) . ?
C26 H12 0.9500 . ?
C27 C30 1.510(13) . ?
C27 C29 1.536(13) . ?
C27 C28 1.540(13) . ?
C28 H43 0.9800 . ?
C28 H44 0.9800 . ?
C28 H45 0.9800 . ?
C29 H46 0.9800 . ?
C29 H47 0.9800 . ?
C29 H48 0.9800 . ?
C30 H49 0.9800 . ?
C30 H50 0.9800 . ?
C30 H51 0.9800 . ?
C31 C33 1.510(14) . ?
C31 C34 1.520(14) . ?
C31 C32 1.573(13) . ?
C32 H52 0.9800 . ?
C32 H53 0.9800 . ?
C32 H54 0.9800 . ?
C33 H55 0.9800 . ?
C33 H56 0.9800 . ?
C33 H57 0.9800 . ?
C34 H58 0.9800 . ?
C34 H59 0.9800 . ?
C34 H60 0.9800 . ?
C35 C40 1.388(11) . ?
C35 C36 1.390(11) . ?
C36 C37 1.392(11) . ?
C36 H13 0.9500 . ?
C37 C38 1.407(11) . ?
C37 C41 1.559(11) . ?
C38 C39 1.394(11) . ?
C38 H14 0.9500 . ?
C39 C40 1.382(10) . ?
C39 C45 1.543(11) . ?
C40 H15 0.9500 . ?
C41 C44 1.475(13) . ?
C41 C42 1.512(13) . ?
C41 C43 1.568(13) . ?
C42 H61 0.9800 . ?
C42 H62 0.9800 . ?
C42 H63 0.9800 . ?
C43 H64 0.9800 . ?
C43 H65 0.9800 . ?
C43 H66 0.9800 . ?
C44 H67 0.9800 . ?
C44 H68 0.9800 . ?
C44 H69 0.9800 . ?
C45 C47 1.527(12) . ?
C45 C46 1.529(11) . ?
C45 C48 1.534(11) . ?
C46 H70 0.9800 . ?
C46 H71 0.9800 . ?
C46 H72 0.9800 . ?
C47 H73 0.9800 . ?
C47 H74 0.9800 . ?
C47 H75 0.9800 . ?
C48 H76 0.9800 . ?
C48 H77 0.9800 . ?
C48 H78 0.9800 . ?
C49 C50 1.357(15) . ?
C49 C56 1.588(16) . ?
C49 Pt1 2.270(9) . ?
C49 H16 0.9500 . ?
C50 C51 1.536(16) . ?
C50 Pt1 2.252(10) . ?
C50 H17 0.9500 . ?
C51 C52 1.468(16) . ?
C51 H18 0.9900 . ?
C51 H19 0.9900 . ?
C52 C53 1.506(13) . ?
C52 H20 0.9900 . ?
C52 H21 0.9900 . ?
C53 C54 1.348(13) . ?
C53 Pt1 2.241(8) . ?
C53 H22 0.9500 . ?
C54 C55 1.526(14) . ?
C54 Pt1 2.250(8) . ?
C54 H23 0.9500 . ?
C55 C56 1.401(16) . ?
C55 H24 0.9900 . ?
C55 H25 0.9900 . ?
C56 H26 0.9900 . ?
C56 H27 0.9900 . ?
C57 N5 1.366(9) . ?
C57 C76 1.394(11) . ?
C57 C58 1.449(11) . ?
C58 C59 1.366(11) . ?
C58 H28 0.9500 . ?
C59 C60 1.470(11) . ?
C59 Pt1 2.032(8) . ?
C60 C61 1.367(11) . ?
C60 N5 1.372(10) . ?
C61 C62 1.410(11) . ?
C61 H29 0.9500 . ?
C62 N6 1.369(10) . ?
C62 C63 1.427(10) . ?
C63 C64 1.343(11) . ?
C63 H30 0.9500 . ?
C64 C65 1.446(10) . ?
C64 H31 0.9500 . ?
C65 N6 1.369(9) . ?
C65 C66 1.408(11) . ?
C66 C67 1.390(11) . ?
C66 C77 1.508(10) . ?
C67 N7 1.384(10) . ?
C67 C68 1.426(11) . ?
C68 C69 1.362(12) . ?
C68 H32 0.9500 . ?
C69 C70 1.442(12) . ?
C69 H33 0.9500 . ?
C70 N7 1.374(10) . ?
C70 C71 1.392(11) . ?
C71 C72 1.394(12) . ?
C71 H34 0.9500 . ?
C72 N8 1.371(10) . ?
C72 C73 1.461(11) . ?
C73 C74 1.354(13) . ?
C73 H35 0.9500 . ?
C74 C75 1.446(11) . ?
C74 H36 0.9500 . ?
C75 N8 1.361(10) . ?
C75 C76 1.421(11) . ?
C76 C91 1.498(10) . ?
C77 C78 1.376(11) . ?
C77 C82 1.394(11) . ?
C78 C79 1.407(11) . ?
C78 H37 0.9500 . ?
C79 C80 1.360(11) . ?
C79 C83 1.531(11) . ?
C80 C81 1.403(11) . ?
C80 H38 0.9500 . ?
C81 C82 1.404(11) . ?
C81 C87 1.521(12) . ?
C82 H39 0.9500 . ?
C83 C86 1.518(15) . ?
C83 C85 1.531(14) . ?
C83 C84 1.531(14) . ?
C84 H79 0.9800 . ?
C84 H80 0.9800 . ?
C84 H81 0.9800 . ?
C85 H82 0.9800 . ?
C85 H83 0.9800 . ?
C85 H84 0.9800 . ?
C86 H85 0.9800 . ?
C86 H86 0.9800 . ?
C86 H87 0.9800 . ?
C87 C88 1.515(12) . ?
C87 C89 1.530(12) . ?
C87 C90 1.544(12) . ?
C88 H88 0.9800 . ?
C88 H89 0.9800 . ?
C88 H90 0.9800 . ?
C89 H91 0.9800 . ?
C89 H92 0.9800 . ?
C89 H93 0.9800 . ?
C90 H94 0.9800 . ?
C90 H95 0.9800 . ?
C90 H96 0.9800 . ?
C91 C96 1.384(11) . ?
C91 C92 1.387(11) . ?
C92 C93 1.417(12) . ?
C92 H40 0.9500 . ?
C93 C94 1.369(12) . ?
C93 C97 1.527(13) . ?
C94 C95 1.376(12) . ?
C94 H41 0.9500 . ?
C95 C96 1.414(11) . ?
C95 C101 1.515(12) . ?
C96 H42 0.9500 . ?
C97 C113 1.42(3) . ?
C97 C98 1.49(2) . ?
C97 C99 1.536(18) . ?
C97 C111 1.55(3) . ?
C97 C100 1.563(19) . ?
C97 C112 1.64(2) . ?
C101 C104 1.528(12) . ?
C101 C103 1.529(12) . ?
C101 C102 1.528(12) . ?
C102 H121 0.9800 . ?
C102 H122 0.9800 . ?
C102 H123 0.9800 . ?
C103 H124 0.9800 . ?
C103 H125 0.9800 . ?
C103 H126 0.9800 . ?
C104 H127 0.9800 . ?
C104 H128 0.9800 . ?
C104 H129 0.9800 . ?
C105 H115 0.9800 . ?
C105 H116 0.9800 . ?
C105 H117 0.9800 . ?
C106 H118 0.9800 . ?
C106 H119 0.9800 . ?
C106 H120 0.9800 . ?
C108 Cl1 1.711(11) . ?
C108 Cl2 1.745(11) . ?
C108 Cl3 1.744(12) . ?
C108 H130 1.0000 . ?
N1 Zn1 2.058(6) . ?
N2 Zn1 2.060(7) . ?
N3 Zn1 2.055(6) . ?
N4 Zn1 2.069(7) . ?
N5 Zn2 2.059(7) . ?
N6 Zn2 2.056(6) . ?
N7 Zn2 2.081(7) . ?
N8 Zn2 2.062(6) . ?
C98 H97 0.9800 . ?
C98 H98 0.9800 . ?
C98 H99 0.9800 . ?
C99 H100 0.9800 . ?
C99 H101 0.9800 . ?
C99 H102 0.9800 . ?
C100 H103 0.9800 . ?
C100 H104 0.9800 . ?
C100 H105 0.9800 . ?
C111 H106 0.9800 . ?
C111 H107 0.9800 . ?
C111 H108 0.9800 . ?
C112 H109 0.9800 . ?
C112 H110 0.9800 . ?
C112 H111 0.9800 . ?
C113 H112 0.9800 . ?
C113 H113 0.9800 . ?
C113 H114 0.9800 . ?
C109 Cl6 1.581(14) . ?
C109 Cl4 1.683(14) . ?
C109 Cl5 1.696(14) . ?
C109 H131 1.0000 . ?
C114 O4 1.42(3) . ?
C115 O5 1.56(3) . ?
Cl7 C110 1.615(18) . ?
Cl8 C110 1.654(19) . ?
Cl9 C110 1.771(19) . ?
C110 H133 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
C106 O1 Zn1 118.2(6) . . ?
C105 O2 Zn2 119.5(7) . . ?
C20 C1 N1 125.1(7) . . ?
C20 C1 C2 127.0(7) . . ?
N1 C1 C2 107.9(7) . . ?
C3 C2 C1 109.4(7) . . ?
C3 C2 H1 125.3 . . ?
C1 C2 H1 125.3 . . ?
C2 C3 C4 104.8(7) . . ?
C2 C3 Pt1 131.1(6) . . ?
C4 C3 Pt1 124.0(6) . . ?
N1 C4 C5 125.0(7) . . ?
N1 C4 C3 110.9(6) . . ?
C5 C4 C3 124.1(7) . . ?
C4 C5 C6 128.2(8) . . ?
C4 C5 H2 115.9 . . ?
C6 C5 H2 115.9 . . ?
N2 C6 C5 123.8(7) . . ?
N2 C6 C7 110.7(7) . . ?
C5 C6 C7 125.5(8) . . ?
C8 C7 C6 106.4(8) . . ?
C8 C7 H3 126.8 . . ?
C6 C7 H3 126.8 . . ?
C7 C8 C9 107.8(7) . . ?
C7 C8 H4 126.1 . . ?
C9 C8 H4 126.1 . . ?
N2 C9 C10 124.0(8) . . ?
N2 C9 C8 109.3(7) . . ?
C10 C9 C8 126.8(7) . . ?
C11 C10 C9 125.9(7) . . ?
C11 C10 C21 118.4(7) . . ?
C9 C10 C21 115.7(7) . . ?
C10 C11 N3 125.9(7) . . ?
C10 C11 C12 125.2(7) . . ?
N3 C11 C12 108.8(7) . . ?
C13 C12 C11 107.1(7) . . ?
C13 C12 H5 126.4 . . ?
C11 C12 H5 126.4 . . ?
C12 C13 C14 106.9(8) . . ?
C12 C13 H6 126.5 . . ?
C14 C13 H6 126.5 . . ?
N3 C14 C15 126.0(7) . . ?
N3 C14 C13 110.4(7) . . ?
C15 C14 C13 123.6(8) . . ?
C16 C15 C14 125.2(8) . . ?
C16 C15 H7 117.4 . . ?
C14 C15 H7 117.4 . . ?
N4 C16 C15 126.6(7) . . ?
N4 C16 C17 109.2(7) . . ?
C15 C16 C17 124.2(8) . . ?
C18 C17 C16 106.5(7) . . ?
C18 C17 H8 126.8 . . ?
C16 C17 H8 126.8 . . ?
C17 C18 C19 108.5(7) . . ?
C17 C18 H9 125.8 . . ?
C19 C18 H9 125.8 . . ?
N4 C19 C20 124.8(7) . . ?
N4 C19 C18 108.8(7) . . ?
C20 C19 C18 126.3(7) . . ?
C1 C20 C19 126.0(7) . . ?
C1 C20 C35 118.3(7) . . ?
C19 C20 C35 115.6(7) . . ?
C26 C21 C22 118.7(7) . . ?
C26 C21 C10 121.1(7) . . ?
C22 C21 C10 120.2(7) . . ?
C23 C22 C21 121.4(7) . . ?
C23 C22 H10 119.3 . . ?
C21 C22 H10 119.3 . . ?
C22 C23 C24 117.9(7) . . ?
C22 C23 C27 121.5(7) . . ?
C24 C23 C27 120.6(7) . . ?
C23 C24 C25 122.7(7) . . ?
C23 C24 H11 118.7 . . ?
C25 C24 H11 118.7 . . ?
C26 C25 C24 117.5(7) . . ?
C26 C25 C31 118.7(7) . . ?
C24 C25 C31 123.7(8) . . ?
C25 C26 C21 121.9(7) . . ?
C25 C26 H12 119.0 . . ?
C21 C26 H12 119.0 . . ?
C30 C27 C29 108.6(8) . . ?
C30 C27 C28 108.3(8) . . ?
C29 C27 C28 108.7(7) . . ?
C30 C27 C23 112.5(7) . . ?
C29 C27 C23 109.4(7) . . ?
C28 C27 C23 109.2(7) . . ?
C27 C28 H43 109.5 . . ?
C27 C28 H44 109.5 . . ?
H43 C28 H44 109.5 . . ?
C27 C28 H45 109.5 . . ?
H43 C28 H45 109.5 . . ?
H44 C28 H45 109.5 . . ?
C27 C29 H46 109.5 . . ?
C27 C29 H47 109.5 . . ?
H46 C29 H47 109.5 . . ?
C27 C29 H48 109.5 . . ?
H46 C29 H48 109.5 . . ?
H47 C29 H48 109.5 . . ?
C27 C30 H49 109.5 . . ?
C27 C30 H50 109.5 . . ?
H49 C30 H50 109.5 . . ?
C27 C30 H51 109.5 . . ?
H49 C30 H51 109.5 . . ?
H50 C30 H51 109.5 . . ?
C33 C31 C34 114.9(10) . . ?
C33 C31 C25 112.0(8) . . ?
C34 C31 C25 109.5(8) . . ?
C33 C31 C32 105.1(9) . . ?
C34 C31 C32 105.6(8) . . ?
C25 C31 C32 109.4(7) . . ?
C31 C32 H52 109.5 . . ?
C31 C32 H53 109.5 . . ?
H52 C32 H53 109.5 . . ?
C31 C32 H54 109.5 . . ?
H52 C32 H54 109.5 . . ?
H53 C32 H54 109.5 . . ?
C31 C33 H55 109.5 . . ?
C31 C33 H56 109.5 . . ?
H55 C33 H56 109.5 . . ?
C31 C33 H57 109.5 . . ?
H55 C33 H57 109.5 . . ?
H56 C33 H57 109.5 . . ?
C31 C34 H58 109.5 . . ?
C31 C34 H59 109.5 . . ?
H58 C34 H59 109.5 . . ?
C31 C34 H60 109.5 . . ?
H58 C34 H60 109.5 . . ?
H59 C34 H60 109.5 . . ?
C40 C35 C36 118.9(7) . . ?
C40 C35 C20 121.6(7) . . ?
C36 C35 C20 119.4(7) . . ?
C35 C36 C37 120.8(7) . . ?
C35 C36 H13 119.6 . . ?
C37 C36 H13 119.6 . . ?
C36 C37 C38 118.6(7) . . ?
C36 C37 C41 118.6(7) . . ?
C38 C37 C41 122.8(7) . . ?
C39 C38 C37 121.4(7) . . ?
C39 C38 H14 119.3 . . ?
C37 C38 H14 119.3 . . ?
C40 C39 C38 118.0(7) . . ?
C40 C39 C45 122.6(7) . . ?
C38 C39 C45 119.5(7) . . ?
C39 C40 C35 122.3(7) . . ?
C39 C40 H15 118.8 . . ?
C35 C40 H15 118.8 . . ?
C44 C41 C42 112.2(9) . . ?
C44 C41 C37 112.8(7) . . ?
C42 C41 C37 108.9(8) . . ?
C44 C41 C43 107.7(8) . . ?
C42 C41 C43 106.4(8) . . ?
C37 C41 C43 108.7(7) . . ?
C41 C42 H61 109.5 . . ?
C41 C42 H62 109.5 . . ?
H61 C42 H62 109.5 . . ?
C41 C42 H63 109.5 . . ?
H61 C42 H63 109.5 . . ?
H62 C42 H63 109.5 . . ?
C41 C43 H64 109.5 . . ?
C41 C43 H65 109.5 . . ?
H64 C43 H65 109.5 . . ?
C41 C43 H66 109.5 . . ?
H64 C43 H66 109.5 . . ?
H65 C43 H66 109.5 . . ?
C41 C44 H67 109.5 . . ?
C41 C44 H68 109.5 . . ?
H67 C44 H68 109.5 . . ?
C41 C44 H69 109.5 . . ?
H67 C44 H69 109.5 . . ?
H68 C44 H69 109.5 . . ?
C47 C45 C46 108.7(7) . . ?
C47 C45 C48 109.1(7) . . ?
C46 C45 C48 107.4(7) . . ?
C47 C45 C39 108.3(7) . . ?
C46 C45 C39 111.1(7) . . ?
C48 C45 C39 112.2(7) . . ?
C45 C46 H70 109.5 . . ?
C45 C46 H71 109.5 . . ?
H70 C46 H71 109.5 . . ?
C45 C46 H72 109.5 . . ?
H70 C46 H72 109.5 . . ?
H71 C46 H72 109.5 . . ?
C45 C47 H73 109.5 . . ?
C45 C47 H74 109.5 . . ?
H73 C47 H74 109.5 . . ?
C45 C47 H75 109.5 . . ?
H73 C47 H75 109.5 . . ?
H74 C47 H75 109.5 . . ?
C45 C48 H76 109.5 . . ?
C45 C48 H77 109.5 . . ?
H76 C48 H77 109.5 . . ?
C45 C48 H78 109.5 . . ?
H76 C48 H78 109.5 . . ?
H77 C48 H78 109.5 . . ?
C50 C49 C56 115.6(11) . . ?
C50 C49 Pt1 71.8(6) . . ?
C56 C49 Pt1 106.8(7) . . ?
C50 C49 H16 122.2 . . ?
C56 C49 H16 122.2 . . ?
Pt1 C49 H16 91.3 . . ?
C49 C50 C51 127.6(11) . . ?
C49 C50 Pt1 73.3(6) . . ?
C51 C50 Pt1 105.6(7) . . ?
C49 C50 H17 116.2 . . ?
C51 C50 H17 116.2 . . ?
Pt1 C50 H17 91.2 . . ?
C52 C51 C50 118.3(10) . . ?
C52 C51 H18 107.7 . . ?
C50 C51 H18 107.7 . . ?
C52 C51 H19 107.7 . . ?
C50 C51 H19 107.7 . . ?
H18 C51 H19 107.1 . . ?
C51 C52 C53 117.2(9) . . ?
C51 C52 H20 108.0 . . ?
C53 C52 H20 108.0 . . ?
C51 C52 H21 108.0 . . ?
C53 C52 H21 108.0 . . ?
H20 C52 H21 107.2 . . ?
C54 C53 C52 127.3(10) . . ?
C54 C53 Pt1 72.9(5) . . ?
C52 C53 Pt1 109.9(6) . . ?
C54 C53 H22 116.4 . . ?
C52 C53 H22 116.4 . . ?
Pt1 C53 H22 87.1 . . ?
C53 C54 C55 123.5(10) . . ?
C53 C54 Pt1 72.2(5) . . ?
C55 C54 Pt1 106.9(6) . . ?
C53 C54 H23 118.3 . . ?
C55 C54 H23 118.3 . . ?
Pt1 C54 H23 90.9 . . ?
C56 C55 C54 117.1(10) . . ?
C56 C55 H24 108.0 . . ?
C54 C55 H24 108.0 . . ?
C56 C55 H25 108.0 . . ?
C54 C55 H25 108.0 . . ?
H24 C55 H25 107.3 . . ?
C55 C56 C49 117.3(10) . . ?
C55 C56 H26 108.0 . . ?
C49 C56 H26 108.0 . . ?
C55 C56 H27 108.0 . . ?
C49 C56 H27 108.0 . . ?
H26 C56 H27 107.2 . . ?
N5 C57 C76 126.1(7) . . ?
N5 C57 C58 109.7(6) . . ?
C76 C57 C58 124.1(7) . . ?
C59 C58 C57 108.0(7) . . ?
C59 C58 H28 126.0 . . ?
C57 C58 H28 126.0 . . ?
C58 C59 C60 105.2(7) . . ?
C58 C59 Pt1 131.5(6) . . ?
C60 C59 Pt1 123.0(6) . . ?
C61 C60 N5 125.6(7) . . ?
C61 C60 C59 124.2(7) . . ?
N5 C60 C59 110.2(6) . . ?
C60 C61 C62 128.0(8) . . ?
C60 C61 H29 116.0 . . ?
C62 C61 H29 116.0 . . ?
N6 C62 C61 124.5(7) . . ?
N6 C62 C63 110.0(7) . . ?
C61 C62 C63 125.5(7) . . ?
C64 C63 C62 107.4(7) . . ?
C64 C63 H30 126.3 . . ?
C62 C63 H30 126.3 . . ?
C63 C64 C65 107.0(7) . . ?
C63 C64 H31 126.5 . . ?
C65 C64 H31 126.5 . . ?
N6 C65 C66 125.3(7) . . ?
N6 C65 C64 109.3(7) . . ?
C66 C65 C64 125.4(7) . . ?
C67 C66 C65 125.6(7) . . ?
C67 C66 C77 119.6(7) . . ?
C65 C66 C77 114.7(6) . . ?
N7 C67 C66 124.4(7) . . ?
N7 C67 C68 109.2(7) . . ?
C66 C67 C68 126.5(7) . . ?
C69 C68 C67 108.0(7) . . ?
C69 C68 H32 126.0 . . ?
C67 C68 H32 126.0 . . ?
C68 C69 C70 106.5(7) . . ?
C68 C69 H33 126.7 . . ?
C70 C69 H33 126.7 . . ?
N7 C70 C71 125.3(8) . . ?
N7 C70 C69 109.6(7) . . ?
C71 C70 C69 125.1(8) . . ?
C70 C71 C72 126.9(8) . . ?
C70 C71 H34 116.6 . . ?
C72 C71 H34 116.6 . . ?
N8 C72 C71 126.4(7) . . ?
N8 C72 C73 109.9(7) . . ?
C71 C72 C73 123.7(8) . . ?
C74 C73 C72 105.3(8) . . ?
C74 C73 H35 127.4 . . ?
C72 C73 H35 127.4 . . ?
C73 C74 C75 108.6(7) . . ?
C73 C74 H36 125.7 . . ?
C75 C74 H36 125.7 . . ?
N8 C75 C76 125.5(7) . . ?
N8 C75 C74 109.0(7) . . ?
C76 C75 C74 125.5(7) . . ?
C57 C76 C75 124.1(7) . . ?
C57 C76 C91 117.2(7) . . ?
C75 C76 C91 118.4(7) . . ?
C78 C77 C82 119.4(7) . . ?
C78 C77 C66 120.4(7) . . ?
C82 C77 C66 120.0(7) . . ?
C77 C78 C79 122.0(8) . . ?
C77 C78 H37 119.0 . . ?
C79 C78 H37 119.0 . . ?
C80 C79 C78 116.6(7) . . ?
C80 C79 C83 124.3(8) . . ?
C78 C79 C83 119.1(8) . . ?
C79 C80 C81 124.7(7) . . ?
C79 C80 H38 117.7 . . ?
C81 C80 H38 117.7 . . ?
C82 C81 C80 116.5(8) . . ?
C82 C81 C87 121.8(7) . . ?
C80 C81 C87 121.6(7) . . ?
C77 C82 C81 120.8(7) . . ?
C77 C82 H39 119.6 . . ?
C81 C82 H39 119.6 . . ?
C86 C83 C85 109.5(9) . . ?
C86 C83 C79 113.1(8) . . ?
C85 C83 C79 109.7(8) . . ?
C86 C83 C84 106.2(9) . . ?
C85 C83 C84 109.5(9) . . ?
C79 C83 C84 108.8(7) . . ?
C83 C84 H79 109.5 . . ?
C83 C84 H80 109.5 . . ?
H79 C84 H80 109.5 . . ?
C83 C84 H81 109.5 . . ?
H79 C84 H81 109.5 . . ?
H80 C84 H81 109.5 . . ?
C83 C85 H82 109.5 . . ?
C83 C85 H83 109.5 . . ?
H82 C85 H83 109.5 . . ?
C83 C85 H84 109.5 . . ?
H82 C85 H84 109.5 . . ?
H83 C85 H84 109.5 . . ?
C83 C86 H85 109.5 . . ?
C83 C86 H86 109.5 . . ?
H85 C86 H86 109.5 . . ?
C83 C86 H87 109.5 . . ?
H85 C86 H87 109.5 . . ?
H86 C86 H87 109.5 . . ?
C88 C87 C81 112.6(7) . . ?
C88 C87 C89 108.1(8) . . ?
C81 C87 C89 109.3(8) . . ?
C88 C87 C90 108.3(8) . . ?
C81 C87 C90 110.2(7) . . ?
C89 C87 C90 108.3(8) . . ?
C87 C88 H88 109.5 . . ?
C87 C88 H89 109.5 . . ?
H88 C88 H89 109.5 . . ?
C87 C88 H90 109.5 . . ?
H88 C88 H90 109.5 . . ?
H89 C88 H90 109.5 . . ?
C87 C89 H91 109.5 . . ?
C87 C89 H92 109.5 . . ?
H91 C89 H92 109.5 . . ?
C87 C89 H93 109.5 . . ?
H91 C89 H93 109.5 . . ?
H92 C89 H93 109.5 . . ?
C87 C90 H94 109.5 . . ?
C87 C90 H95 109.5 . . ?
H94 C90 H95 109.5 . . ?
C87 C90 H96 109.5 . . ?
H94 C90 H96 109.5 . . ?
H95 C90 H96 109.5 . . ?
C96 C91 C92 120.0(7) . . ?
C96 C91 C76 120.7(7) . . ?
C92 C91 C76 119.2(7) . . ?
C91 C92 C93 120.0(8) . . ?
C91 C92 H40 120.0 . . ?
C93 C92 H40 120.0 . . ?
C94 C93 C92 117.2(8) . . ?
C94 C93 C97 121.2(8) . . ?
C92 C93 C97 121.5(8) . . ?
C93 C94 C95 125.5(8) . . ?
C93 C94 H41 117.2 . . ?
C95 C94 H41 117.2 . . ?
C94 C95 C96 115.6(8) . . ?
C94 C95 C101 121.8(7) . . ?
C96 C95 C101 122.5(8) . . ?
C91 C96 C95 121.7(8) . . ?
C91 C96 H42 119.1 . . ?
C95 C96 H42 119.1 . . ?
C113 C97 C98 125.4(16) . . ?
C113 C97 C93 115.7(14) . . ?
C98 C97 C93 116.9(11) . . ?
C113 C97 C99 63.2(14) . . ?
C98 C97 C99 111.2(13) . . ?
C93 C97 C99 108.6(12) . . ?
C113 C97 C111 114.7(15) . . ?
C98 C97 C111 61.1(13) . . ?
C93 C97 C111 107.4(13) . . ?
C99 C97 C111 57.7(13) . . ?
C113 C97 C100 41.4(13) . . ?
C98 C97 C100 106.4(12) . . ?
C93 C97 C100 108.6(11) . . ?
C99 C97 C100 104.2(12) . . ?
C111 C97 C100 143.5(15) . . ?
C113 C97 C112 109.5(15) . . ?
C98 C97 C112 40.8(11) . . ?
C93 C97 C112 106.5(11) . . ?
C99 C97 C112 143.4(14) . . ?
C111 C97 C112 101.9(13) . . ?
C100 C97 C112 73.5(12) . . ?
C95 C101 C104 112.4(7) . . ?
C95 C101 C103 107.9(7) . . ?
C104 C101 C103 107.4(8) . . ?
C95 C101 C102 111.3(7) . . ?
C104 C101 C102 108.5(8) . . ?
C103 C101 C102 109.4(7) . . ?
C101 C102 H121 109.5 . . ?
C101 C102 H122 109.5 . . ?
H121 C102 H122 109.5 . . ?
C101 C102 H123 109.5 . . ?
H121 C102 H123 109.5 . . ?
H122 C102 H123 109.5 . . ?
C101 C103 H124 109.5 . . ?
C101 C103 H125 109.5 . . ?
H124 C103 H125 109.5 . . ?
C101 C103 H126 109.5 . . ?
H124 C103 H126 109.5 . . ?
H125 C103 H126 109.5 . . ?
C101 C104 H127 109.5 . . ?
C101 C104 H128 109.5 . . ?
H127 C104 H128 109.5 . . ?
C101 C104 H129 109.5 . . ?
H127 C104 H129 109.5 . . ?
H128 C104 H129 109.5 . . ?
O2 C105 H115 109.5 . . ?
O2 C105 H116 109.5 . . ?
H115 C105 H116 109.5 . . ?
O2 C105 H117 109.5 . . ?
H115 C105 H117 109.5 . . ?
H116 C105 H117 109.5 . . ?
O1 C106 H118 109.5 . . ?
O1 C106 H119 109.5 . . ?
H118 C106 H119 109.5 . . ?
O1 C106 H120 109.5 . . ?
H118 C106 H120 109.5 . . ?
H119 C106 H120 109.5 . . ?
Cl1 C108 Cl2 112.8(7) . . ?
Cl1 C108 Cl3 109.7(6) . . ?
Cl2 C108 Cl3 112.9(6) . . ?
Cl1 C108 H130 107.0 . . ?
Cl2 C108 H130 107.0 . . ?
Cl3 C108 H130 107.0 . . ?
C4 N1 C1 106.9(6) . . ?
C4 N1 Zn1 125.6(5) . . ?
C1 N1 Zn1 127.1(6) . . ?
C6 N2 C9 105.8(7) . . ?
C6 N2 Zn1 126.0(5) . . ?
C9 N2 Zn1 127.8(6) . . ?
C14 N3 C11 106.7(6) . . ?
C14 N3 Zn1 125.5(5) . . ?
C11 N3 Zn1 127.2(5) . . ?
C16 N4 C19 107.1(7) . . ?
C16 N4 Zn1 124.8(5) . . ?
C19 N4 Zn1 126.8(5) . . ?
C57 N5 C60 106.9(6) . . ?
C57 N5 Zn2 127.7(5) . . ?
C60 N5 Zn2 125.3(5) . . ?
C62 N6 C65 106.4(6) . . ?
C62 N6 Zn2 125.6(5) . . ?
C65 N6 Zn2 127.9(5) . . ?
C70 N7 C67 106.7(7) . . ?
C70 N7 Zn2 125.0(5) . . ?
C67 N7 Zn2 127.5(5) . . ?
C75 N8 C72 107.3(6) . . ?
C75 N8 Zn2 127.7(5) . . ?
C72 N8 Zn2 124.8(5) . . ?
C3 Pt1 C59 86.3(3) . . ?
C3 Pt1 C53 93.2(3) . . ?
C59 Pt1 C53 160.9(3) . . ?
C3 Pt1 C54 90.7(3) . . ?
C59 Pt1 C54 164.0(3) . . ?
C53 Pt1 C54 34.9(3) . . ?
C3 Pt1 C50 163.0(4) . . ?
C59 Pt1 C50 93.8(4) . . ?
C53 Pt1 C50 81.2(4) . . ?
C54 Pt1 C50 93.6(4) . . ?
C3 Pt1 C49 161.9(4) . . ?
C59 Pt1 C49 96.7(4) . . ?
C53 Pt1 C49 89.7(4) . . ?
C54 Pt1 C49 81.5(4) . . ?
C50 Pt1 C49 34.9(4) . . ?
N3 Zn1 N2 88.4(3) . . ?
N3 Zn1 N1 165.8(3) . . ?
N2 Zn1 N1 90.0(3) . . ?
N3 Zn1 N4 89.6(3) . . ?
N2 Zn1 N4 166.4(3) . . ?
N1 Zn1 N4 88.7(3) . . ?
N3 Zn1 O1 100.8(2) . . ?
N2 Zn1 O1 94.2(2) . . ?
N1 Zn1 O1 93.4(2) . . ?
N4 Zn1 O1 99.4(2) . . ?
N6 Zn2 N5 90.7(3) . . ?
N6 Zn2 N8 165.2(3) . . ?
N5 Zn2 N8 88.0(3) . . ?
N6 Zn2 N7 87.4(3) . . ?
N5 Zn2 N7 166.0(3) . . ?
N8 Zn2 N7 90.3(3) . . ?
N6 Zn2 O2 95.5(3) . . ?
N5 Zn2 O2 99.6(3) . . ?
N8 Zn2 O2 99.3(3) . . ?
N7 Zn2 O2 94.4(3) . . ?
C97 C98 H97 109.5 . . ?
C97 C98 H98 109.5 . . ?
H97 C98 H98 109.5 . . ?
C97 C98 H99 109.5 . . ?
H97 C98 H99 109.5 . . ?
H98 C98 H99 109.5 . . ?
C97 C99 H100 109.5 . . ?
C97 C99 H101 109.5 . . ?
H100 C99 H101 109.5 . . ?
C97 C99 H102 109.5 . . ?
H100 C99 H102 109.5 . . ?
H101 C99 H102 109.5 . . ?
C97 C100 H103 109.5 . . ?
C97 C100 H104 109.5 . . ?
H103 C100 H104 109.5 . . ?
C97 C100 H105 109.5 . . ?
H103 C100 H105 109.5 . . ?
H104 C100 H105 109.5 . . ?
C97 C111 H106 109.5 . . ?
C97 C111 H107 109.5 . . ?
H106 C111 H107 109.5 . . ?
C97 C111 H108 109.5 . . ?
H106 C111 H108 109.5 . . ?
H107 C111 H108 109.5 . . ?
C97 C112 H109 109.5 . . ?
C97 C112 H110 109.5 . . ?
H109 C112 H110 109.5 . . ?
C97 C112 H111 109.5 . . ?
H109 C112 H111 109.5 . . ?
H110 C112 H111 109.5 . . ?
C97 C113 H112 109.5 . . ?
C97 C113 H113 109.5 . . ?
H112 C113 H113 109.5 . . ?
C97 C113 H114 109.5 . . ?
H112 C113 H114 109.5 . . ?
H113 C113 H114 109.5 . . ?
Cl6 C109 Cl4 115.5(9) . . ?
Cl6 C109 Cl5 120.8(10) . . ?
Cl4 C109 Cl5 112.7(9) . . ?
Cl6 C109 H131 101.2 . . ?
Cl4 C109 H131 101.2 . . ?
Cl5 C109 H131 101.2 . . ?
Cl7 C110 Cl8 123.8(17) . . ?
Cl7 C110 Cl9 111.1(14) . . ?
Cl8 C110 Cl9 97.1(12) . . ?
Cl7 C110 H133 107.9 . . ?
Cl8 C110 H133 107.9 . . ?
Cl9 C110 H133 107.9 . . ?

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
C20 C1 C2 C3 179.7(7) . . . . ?
N1 C1 C2 C3 0.4(9) . . . . ?
C1 C2 C3 C4 0.9(8) . . . . ?
C1 C2 C3 Pt1 -176.7(6) . . . . ?
C2 C3 C4 N1 -1.9(9) . . . . ?
Pt1 C3 C4 N1 175.9(5) . . . . ?
C2 C3 C4 C5 179.4(7) . . . . ?
Pt1 C3 C4 C5 -2.8(11) . . . . ?
N1 C4 C5 C6 -2.5(13) . . . . ?
C3 C4 C5 C6 176.0(8) . . . . ?
C4 C5 C6 N2 0.7(14) . . . . ?
C4 C5 C6 C7 -177.2(8) . . . . ?
N2 C6 C7 C8 -1.2(10) . . . . ?
C5 C6 C7 C8 177.0(8) . . . . ?
C6 C7 C8 C9 0.9(10) . . . . ?
C7 C8 C9 N2 -0.3(10) . . . . ?
C7 C8 C9 C10 179.6(8) . . . . ?
N2 C9 C10 C11 0.3(13) . . . . ?
C8 C9 C10 C11 -179.5(8) . . . . ?
N2 C9 C10 C21 -177.3(7) . . . . ?
C8 C9 C10 C21 2.8(12) . . . . ?
C9 C10 C11 N3 0.2(13) . . . . ?
C21 C10 C11 N3 177.8(7) . . . . ?
C9 C10 C11 C12 178.2(7) . . . . ?
C21 C10 C11 C12 -4.2(11) . . . . ?
C10 C11 C12 C13 -177.6(8) . . . . ?
N3 C11 C12 C13 0.6(9) . . . . ?
C11 C12 C13 C14 -1.1(9) . . . . ?
C12 C13 C14 N3 1.2(9) . . . . ?
C12 C13 C14 C15 -179.3(7) . . . . ?
N3 C14 C15 C16 -1.7(13) . . . . ?
C13 C14 C15 C16 178.9(8) . . . . ?
C14 C15 C16 N4 -1.3(13) . . . . ?
C14 C15 C16 C17 179.5(8) . . . . ?
N4 C16 C17 C18 0.4(9) . . . . ?
C15 C16 C17 C18 179.8(8) . . . . ?
C16 C17 C18 C19 -0.5(9) . . . . ?
C17 C18 C19 N4 0.3(9) . . . . ?
C17 C18 C19 C20 179.0(8) . . . . ?
N1 C1 C20 C19 0.7(12) . . . . ?
C2 C1 C20 C19 -178.5(7) . . . . ?
N1 C1 C20 C35 -179.2(7) . . . . ?
C2 C1 C20 C35 1.6(12) . . . . ?
N4 C19 C20 C1 2.2(13) . . . . ?
C18 C19 C20 C1 -176.2(8) . . . . ?
N4 C19 C20 C35 -177.9(7) . . . . ?
C18 C19 C20 C35 3.7(11) . . . . ?
C11 C10 C21 C26 -65.8(11) . . . . ?
C9 C10 C21 C26 112.1(9) . . . . ?
C11 C10 C21 C22 113.4(9) . . . . ?
C9 C10 C21 C22 -68.8(10) . . . . ?
C26 C21 C22 C23 0.5(13) . . . . ?
C10 C21 C22 C23 -178.6(8) . . . . ?
C21 C22 C23 C24 -1.0(13) . . . . ?
C21 C22 C23 C27 -179.5(8) . . . . ?
C22 C23 C24 C25 0.4(13) . . . . ?
C27 C23 C24 C25 178.9(8) . . . . ?
C23 C24 C25 C26 0.7(12) . . . . ?
C23 C24 C25 C31 177.6(8) . . . . ?
C24 C25 C26 C21 -1.2(12) . . . . ?
C31 C25 C26 C21 -178.3(8) . . . . ?
C22 C21 C26 C25 0.6(12) . . . . ?
C10 C21 C26 C25 179.8(8) . . . . ?
C22 C23 C27 C30 3.4(13) . . . . ?
C24 C23 C27 C30 -175.1(9) . . . . ?
C22 C23 C27 C29 124.2(9) . . . . ?
C24 C23 C27 C29 -54.3(11) . . . . ?
C22 C23 C27 C28 -116.9(9) . . . . ?
C24 C23 C27 C28 64.6(11) . . . . ?
C26 C25 C31 C33 -170.8(10) . . . . ?
C24 C25 C31 C33 12.4(13) . . . . ?
C26 C25 C31 C34 60.5(11) . . . . ?
C24 C25 C31 C34 -116.3(10) . . . . ?
C26 C25 C31 C32 -54.7(11) . . . . ?
C24 C25 C31 C32 128.5(9) . . . . ?
C1 C20 C35 C40 65.0(10) . . . . ?
C19 C20 C35 C40 -114.9(8) . . . . ?
C1 C20 C35 C36 -118.9(8) . . . . ?
C19 C20 C35 C36 61.2(10) . . . . ?
C40 C35 C36 C37 2.6(12) . . . . ?
C20 C35 C36 C37 -173.5(7) . . . . ?
C35 C36 C37 C38 -2.0(12) . . . . ?
C35 C36 C37 C41 176.6(8) . . . . ?
C36 C37 C38 C39 0.7(12) . . . . ?
C41 C37 C38 C39 -177.8(8) . . . . ?
C37 C38 C39 C40 -0.1(12) . . . . ?
C37 C38 C39 C45 177.7(7) . . . . ?
C38 C39 C40 C35 0.8(12) . . . . ?
C45 C39 C40 C35 -176.9(7) . . . . ?
C36 C35 C40 C39 -2.1(12) . . . . ?
C20 C35 C40 C39 174.0(7) . . . . ?
C36 C37 C41 C44 -176.6(9) . . . . ?
C38 C37 C41 C44 1.9(13) . . . . ?
C36 C37 C41 C42 58.2(11) . . . . ?
C38 C37 C41 C42 -123.3(9) . . . . ?
C36 C37 C41 C43 -57.3(10) . . . . ?
C38 C37 C41 C43 121.2(9) . . . . ?
C40 C39 C45 C47 109.8(9) . . . . ?
C38 C39 C45 C47 -67.9(10) . . . . ?
C40 C39 C45 C46 -130.9(8) . . . . ?
C38 C39 C45 C46 51.5(10) . . . . ?
C40 C39 C45 C48 -10.7(11) . . . . ?
C38 C39 C45 C48 171.6(7) . . . . ?
C56 C49 C50 C51 -3.3(16) . . . . ?
Pt1 C49 C50 C51 97.0(11) . . . . ?
C56 C49 C50 Pt1 -100.3(8) . . . . ?
C49 C50 C51 C52 -50.4(18) . . . . ?
Pt1 C50 C51 C52 30.3(15) . . . . ?
C50 C51 C52 C53 -19.8(18) . . . . ?
C51 C52 C53 C54 80.8(15) . . . . ?
C51 C52 C53 Pt1 -2.4(13) . . . . ?
C52 C53 C54 C55 -3.4(15) . . . . ?
Pt1 C53 C54 C55 98.9(9) . . . . ?
C52 C53 C54 Pt1 -102.3(10) . . . . ?
C53 C54 C55 C56 -44.3(15) . . . . ?
Pt1 C54 C55 C56 35.2(13) . . . . ?
C54 C55 C56 C49 -35.7(17) . . . . ?
C50 C49 C56 C55 93.2(14) . . . . ?
Pt1 C49 C56 C55 15.8(14) . . . . ?
N5 C57 C58 C59 1.2(9) . . . . ?
C76 C57 C58 C59 -175.2(8) . . . . ?
C57 C58 C59 C60 -0.8(9) . . . . ?
C57 C58 C59 Pt1 173.2(6) . . . . ?
C58 C59 C60 C61 177.6(8) . . . . ?
Pt1 C59 C60 C61 2.9(12) . . . . ?
C58 C59 C60 N5 0.3(9) . . . . ?
Pt1 C59 C60 N5 -174.4(5) . . . . ?
N5 C60 C61 C62 4.0(14) . . . . ?
C59 C60 C61 C62 -172.9(8) . . . . ?
C60 C61 C62 N6 -1.0(14) . . . . ?
C60 C61 C62 C63 178.8(9) . . . . ?
N6 C62 C63 C64 0.5(10) . . . . ?
C61 C62 C63 C64 -179.4(8) . . . . ?
C62 C63 C64 C65 -0.1(9) . . . . ?
C63 C64 C65 N6 -0.4(9) . . . . ?
C63 C64 C65 C66 177.7(8) . . . . ?
N6 C65 C66 C67 3.2(13) . . . . ?
C64 C65 C66 C67 -174.6(8) . . . . ?
N6 C65 C66 C77 -178.3(7) . . . . ?
C64 C65 C66 C77 4.0(11) . . . . ?
C65 C66 C67 N7 -1.5(13) . . . . ?
C77 C66 C67 N7 -180.0(7) . . . . ?
C65 C66 C67 C68 178.0(8) . . . . ?
C77 C66 C67 C68 -0.4(12) . . . . ?
N7 C67 C68 C69 0.5(10) . . . . ?
C66 C67 C68 C69 -179.1(8) . . . . ?
C67 C68 C69 C70 -0.8(10) . . . . ?
C68 C69 C70 N7 0.8(10) . . . . ?
C68 C69 C70 C71 -179.5(9) . . . . ?
N7 C70 C71 C72 -0.5(15) . . . . ?
C69 C70 C71 C72 179.9(9) . . . . ?
C70 C71 C72 N8 -1.5(15) . . . . ?
C70 C71 C72 C73 178.4(9) . . . . ?
N8 C72 C73 C74 1.1(10) . . . . ?
C71 C72 C73 C74 -178.9(8) . . . . ?
C72 C73 C74 C75 -0.7(10) . . . . ?
C73 C74 C75 N8 0.0(10) . . . . ?
C73 C74 C75 C76 178.4(8) . . . . ?
N5 C57 C76 C75 -4.9(13) . . . . ?
C58 C57 C76 C75 170.8(7) . . . . ?
N5 C57 C76 C91 -179.2(7) . . . . ?
C58 C57 C76 C91 -3.4(11) . . . . ?
N8 C75 C76 C57 1.9(13) . . . . ?
C74 C75 C76 C57 -176.2(8) . . . . ?
N8 C75 C76 C91 176.0(7) . . . . ?
C74 C75 C76 C91 -2.1(12) . . . . ?
C67 C66 C77 C78 -112.9(9) . . . . ?
C65 C66 C77 C78 68.5(9) . . . . ?
C67 C66 C77 C82 72.8(10) . . . . ?
C65 C66 C77 C82 -105.8(8) . . . . ?
C82 C77 C78 C79 2.5(12) . . . . ?
C66 C77 C78 C79 -171.9(7) . . . . ?
C77 C78 C79 C80 -1.7(12) . . . . ?
C77 C78 C79 C83 176.9(7) . . . . ?
C78 C79 C80 C81 -0.1(12) . . . . ?
C83 C79 C80 C81 -178.7(8) . . . . ?
C79 C80 C81 C82 1.2(12) . . . . ?
C79 C80 C81 C87 176.8(8) . . . . ?
C78 C77 C82 C81 -1.3(11) . . . . ?
C66 C77 C82 C81 173.1(7) . . . . ?
C80 C81 C82 C77 -0.5(11) . . . . ?
C87 C81 C82 C77 -176.1(7) . . . . ?
C80 C79 C83 C86 2.7(13) . . . . ?
C78 C79 C83 C86 -175.8(9) . . . . ?
C80 C79 C83 C85 -119.8(10) . . . . ?
C78 C79 C83 C85 61.7(11) . . . . ?
C80 C79 C83 C84 120.4(10) . . . . ?
C78 C79 C83 C84 -58.1(11) . . . . ?
C82 C81 C87 C88 -10.0(11) . . . . ?
C80 C81 C87 C88 174.6(7) . . . . ?
C82 C81 C87 C89 110.2(9) . . . . ?
C80 C81 C87 C89 -65.2(10) . . . . ?
C82 C81 C87 C90 -131.0(8) . . . . ?
C80 C81 C87 C90 53.6(10) . . . . ?
C57 C76 C91 C96 105.6(9) . . . . ?
C75 C76 C91 C96 -68.9(10) . . . . ?
C57 C76 C91 C92 -71.0(10) . . . . ?
C75 C76 C91 C92 114.4(9) . . . . ?
C96 C91 C92 C93 -0.9(12) . . . . ?
C76 C91 C92 C93 175.8(7) . . . . ?
C91 C92 C93 C94 -1.3(12) . . . . ?
C91 C92 C93 C97 -177.4(8) . . . . ?
C92 C93 C94 C95 2.4(13) . . . . ?
C97 C93 C94 C95 178.5(9) . . . . ?
C93 C94 C95 C96 -1.2(13) . . . . ?
C93 C94 C95 C101 -177.4(8) . . . . ?
C92 C91 C96 C95 2.2(12) . . . . ?
C76 C91 C96 C95 -174.4(7) . . . . ?
C94 C95 C96 C91 -1.2(11) . . . . ?
C101 C95 C96 C91 175.0(7) . . . . ?
C94 C93 C97 C113 -3(2) . . . . ?
C92 C93 C97 C113 172.7(16) . . . . ?
C94 C93 C97 C98 -167.9(14) . . . . ?
C92 C93 C97 C98 8.0(17) . . . . ?
C94 C93 C97 C99 65.2(15) . . . . ?
C92 C93 C97 C99 -118.8(13) . . . . ?
C94 C93 C97 C111 126.2(13) . . . . ?
C92 C93 C97 C111 -57.8(15) . . . . ?
C94 C93 C97 C100 -47.5(14) . . . . ?
C92 C93 C97 C100 128.4(12) . . . . ?
C94 C93 C97 C112 -125.2(12) . . . . ?
C92 C93 C97 C112 50.7(14) . . . . ?
C94 C95 C101 C104 -172.4(8) . . . . ?
C96 C95 C101 C104 11.6(11) . . . . ?
C94 C95 C101 C103 69.4(10) . . . . ?
C96 C95 C101 C103 -106.6(9) . . . . ?
C94 C95 C101 C102 -50.6(11) . . . . ?
C96 C95 C101 C102 133.4(8) . . . . ?
C5 C4 N1 C1 -179.2(7) . . . . ?
C3 C4 N1 C1 2.2(8) . . . . ?
C5 C4 N1 Zn1 -6.2(11) . . . . ?
C3 C4 N1 Zn1 175.2(5) . . . . ?
C20 C1 N1 C4 179.1(7) . . . . ?
C2 C1 N1 C4 -1.6(8) . . . . ?
C20 C1 N1 Zn1 6.3(11) . . . . ?
C2 C1 N1 Zn1 -174.4(5) . . . . ?
C5 C6 N2 C9 -177.2(8) . . . . ?
C7 C6 N2 C9 1.0(9) . . . . ?
C5 C6 N2 Zn1 9.5(11) . . . . ?
C7 C6 N2 Zn1 -172.3(5) . . . . ?
C10 C9 N2 C6 179.7(8) . . . . ?
C8 C9 N2 C6 -0.5(9) . . . . ?
C10 C9 N2 Zn1 -7.2(11) . . . . ?
C8 C9 N2 Zn1 172.7(5) . . . . ?
C15 C14 N3 C11 179.7(7) . . . . ?
C13 C14 N3 C11 -0.8(8) . . . . ?
C15 C14 N3 Zn1 -7.9(11) . . . . ?
C13 C14 N3 Zn1 171.6(5) . . . . ?
C10 C11 N3 C14 178.4(7) . . . . ?
C12 C11 N3 C14 0.1(8) . . . . ?
C10 C11 N3 Zn1 6.1(11) . . . . ?
C12 C11 N3 Zn1 -172.1(5) . . . . ?
C15 C16 N4 C19 -179.6(8) . . . . ?
C17 C16 N4 C19 -0.2(9) . . . . ?
C15 C16 N4 Zn1 13.1(11) . . . . ?
C17 C16 N4 Zn1 -167.5(5) . . . . ?
C20 C19 N4 C16 -178.7(7) . . . . ?
C18 C19 N4 C16 -0.1(8) . . . . ?
C20 C19 N4 Zn1 -11.7(11) . . . . ?
C18 C19 N4 Zn1 166.9(5) . . . . ?
C76 C57 N5 C60 175.3(8) . . . . ?
C58 C57 N5 C60 -1.0(9) . . . . ?
C76 C57 N5 Zn2 -1.4(12) . . . . ?
C58 C57 N5 Zn2 -177.7(5) . . . . ?
C61 C60 N5 C57 -176.8(8) . . . . ?
C59 C60 N5 C57 0.5(9) . . . . ?
C61 C60 N5 Zn2 0.0(12) . . . . ?
C59 C60 N5 Zn2 177.2(5) . . . . ?
C61 C62 N6 C65 179.2(8) . . . . ?
C63 C62 N6 C65 -0.7(9) . . . . ?
C61 C62 N6 Zn2 -5.4(12) . . . . ?
C63 C62 N6 Zn2 174.8(5) . . . . ?
C66 C65 N6 C62 -177.4(8) . . . . ?
C64 C65 N6 C62 0.7(9) . . . . ?
C66 C65 N6 Zn2 7.3(11) . . . . ?
C64 C65 N6 Zn2 -174.7(5) . . . . ?
C71 C70 N7 C67 179.8(8) . . . . ?
C69 C70 N7 C67 -0.5(9) . . . . ?
C71 C70 N7 Zn2 9.4(12) . . . . ?
C69 C70 N7 Zn2 -170.9(6) . . . . ?
C66 C67 N7 C70 179.6(8) . . . . ?
C68 C67 N7 C70 0.0(9) . . . . ?
C66 C67 N7 Zn2 -10.3(11) . . . . ?
C68 C67 N7 Zn2 170.1(5) . . . . ?
C76 C75 N8 C72 -177.7(8) . . . . ?
C74 C75 N8 C72 0.6(9) . . . . ?
C76 C75 N8 Zn2 7.2(11) . . . . ?
C74 C75 N8 Zn2 -174.4(6) . . . . ?
C71 C72 N8 C75 178.9(8) . . . . ?
C73 C72 N8 C75 -1.0(9) . . . . ?
C71 C72 N8 Zn2 -5.8(12) . . . . ?
C73 C72 N8 Zn2 174.2(6) . . . . ?
C2 C3 Pt1 C59 -93.7(8) . . . . ?
C4 C3 Pt1 C59 89.1(6) . . . . ?
C2 C3 Pt1 C53 67.1(8) . . . . ?
C4 C3 Pt1 C53 -110.1(6) . . . . ?
C2 C3 Pt1 C54 102.0(8) . . . . ?
C4 C3 Pt1 C54 -75.2(6) . . . . ?
C2 C3 Pt1 C50 -2.8(16) . . . . ?
C4 C3 Pt1 C50 180.0(10) . . . . ?
C2 C3 Pt1 C49 165.9(11) . . . . ?
C4 C3 Pt1 C49 -11.3(15) . . . . ?
C58 C59 Pt1 C3 -80.2(8) . . . . ?
C60 C59 Pt1 C3 93.0(7) . . . . ?
C58 C59 Pt1 C53 -169.4(9) . . . . ?
C60 C59 Pt1 C53 3.7(14) . . . . ?
C58 C59 Pt1 C54 -0.5(18) . . . . ?
C60 C59 Pt1 C54 172.7(11) . . . . ?
C58 C59 Pt1 C50 116.8(8) . . . . ?
C60 C59 Pt1 C50 -70.0(7) . . . . ?
C58 C59 Pt1 C49 81.9(8) . . . . ?
C60 C59 Pt1 C49 -104.9(7) . . . . ?
C54 C53 Pt1 C3 86.6(6) . . . . ?
C52 C53 Pt1 C3 -149.1(7) . . . . ?
C54 C53 Pt1 C59 174.7(9) . . . . ?
C52 C53 Pt1 C59 -61.1(14) . . . . ?
C52 C53 Pt1 C54 124.2(10) . . . . ?
C54 C53 Pt1 C50 -109.5(7) . . . . ?
C52 C53 Pt1 C50 14.7(7) . . . . ?
C54 C53 Pt1 C49 -75.5(7) . . . . ?
C52 C53 Pt1 C49 48.7(7) . . . . ?
C53 C54 Pt1 C3 -94.6(6) . . . . ?
C55 C54 Pt1 C3 144.9(7) . . . . ?
C53 C54 Pt1 C59 -173.7(10) . . . . ?
C55 C54 Pt1 C59 65.8(15) . . . . ?
C55 C54 Pt1 C53 -120.5(10) . . . . ?
C53 C54 Pt1 C50 68.9(7) . . . . ?
C55 C54 Pt1 C50 -51.6(7) . . . . ?
C53 C54 Pt1 C49 101.8(7) . . . . ?
C55 C54 Pt1 C49 -18.7(7) . . . . ?
C49 C50 Pt1 C3 173.9(10) . . . . ?
C51 C50 Pt1 C3 48.6(16) . . . . ?
C49 C50 Pt1 C59 -96.3(7) . . . . ?
C51 C50 Pt1 C59 138.4(8) . . . . ?
C49 C50 Pt1 C53 102.3(7) . . . . ?
C51 C50 Pt1 C53 -23.0(8) . . . . ?
C49 C50 Pt1 C54 69.5(7) . . . . ?
C51 C50 Pt1 C54 -55.8(9) . . . . ?
C51 C50 Pt1 C49 -125.3(12) . . . . ?
C50 C49 Pt1 C3 -174.3(10) . . . . ?
C56 C49 Pt1 C3 -62.2(16) . . . . ?
C50 C49 Pt1 C59 87.0(7) . . . . ?
C56 C49 Pt1 C59 -161.0(8) . . . . ?
C50 C49 Pt1 C53 -74.9(7) . . . . ?
C56 C49 Pt1 C53 37.1(8) . . . . ?
C50 C49 Pt1 C54 -109.0(7) . . . . ?
C56 C49 Pt1 C54 3.0(8) . . . . ?
C56 C49 Pt1 C50 112.0(12) . . . . ?
C14 N3 Zn1 N2 -179.8(6) . . . . ?
C11 N3 Zn1 N2 -8.9(6) . . . . ?
C14 N3 Zn1 N1 96.5(12) . . . . ?
C11 N3 Zn1 N1 -92.6(12) . . . . ?
C14 N3 Zn1 N4 13.6(6) . . . . ?
C11 N3 Zn1 N4 -175.5(6) . . . . ?
C14 N3 Zn1 O1 -85.8(6) . . . . ?
C11 N3 Zn1 O1 85.0(6) . . . . ?
C6 N2 Zn1 N3 -178.7(7) . . . . ?
C9 N2 Zn1 N3 9.5(7) . . . . ?
C6 N2 Zn1 N1 -12.8(7) . . . . ?
C9 N2 Zn1 N1 175.3(7) . . . . ?
C6 N2 Zn1 N4 -97.2(12) . . . . ?
C9 N2 Zn1 N4 90.9(12) . . . . ?
C6 N2 Zn1 O1 80.6(7) . . . . ?
C9 N2 Zn1 O1 -91.2(7) . . . . ?
C4 N1 Zn1 N3 94.7(12) . . . . ?
C1 N1 Zn1 N3 -93.7(12) . . . . ?
C4 N1 Zn1 N2 11.2(6) . . . . ?
C1 N1 Zn1 N2 -177.2(6) . . . . ?
C4 N1 Zn1 N4 177.7(6) . . . . ?
C1 N1 Zn1 N4 -10.7(6) . . . . ?
C4 N1 Zn1 O1 -83.0(6) . . . . ?
C1 N1 Zn1 O1 88.6(6) . . . . ?
C16 N4 Zn1 N3 -16.0(6) . . . . ?
C19 N4 Zn1 N3 179.2(6) . . . . ?
C16 N4 Zn1 N2 -97.3(12) . . . . ?
C19 N4 Zn1 N2 97.9(12) . . . . ?
C16 N4 Zn1 N1 178.1(6) . . . . ?
C19 N4 Zn1 N1 13.3(6) . . . . ?
C16 N4 Zn1 O1 84.9(6) . . . . ?
C19 N4 Zn1 O1 -79.9(6) . . . . ?
C106 O1 Zn1 N3 61.6(7) . . . . ?
C106 O1 Zn1 N2 150.7(6) . . . . ?
C106 O1 Zn1 N1 -119.0(7) . . . . ?
C106 O1 Zn1 N4 -29.8(7) . . . . ?
C62 N6 Zn2 N5 6.6(7) . . . . ?
C65 N6 Zn2 N5 -178.9(7) . . . . ?
C62 N6 Zn2 N8 91.4(12) . . . . ?
C65 N6 Zn2 N8 -94.1(12) . . . . ?
C62 N6 Zn2 N7 172.7(7) . . . . ?
C65 N6 Zn2 N7 -12.8(7) . . . . ?
C62 N6 Zn2 O2 -93.1(7) . . . . ?
C65 N6 Zn2 O2 81.4(7) . . . . ?
C57 N5 Zn2 N6 172.0(7) . . . . ?
C60 N5 Zn2 N6 -4.1(7) . . . . ?
C57 N5 Zn2 N8 6.8(7) . . . . ?
C60 N5 Zn2 N8 -169.3(7) . . . . ?
C57 N5 Zn2 N7 90.1(12) . . . . ?
C60 N5 Zn2 N7 -86.0(12) . . . . ?
C57 N5 Zn2 O2 -92.3(7) . . . . ?
C60 N5 Zn2 O2 91.6(7) . . . . ?
C75 N8 Zn2 N6 -94.7(12) . . . . ?
C72 N8 Zn2 N6 91.1(12) . . . . ?
C75 N8 Zn2 N5 -9.5(7) . . . . ?
C72 N8 Zn2 N5 176.2(7) . . . . ?
C75 N8 Zn2 N7 -175.6(7) . . . . ?
C72 N8 Zn2 N7 10.2(7) . . . . ?
C75 N8 Zn2 O2 89.9(7) . . . . ?
C72 N8 Zn2 O2 -84.4(7) . . . . ?
C70 N7 Zn2 N6 -177.2(7) . . . . ?
C67 N7 Zn2 N6 14.3(6) . . . . ?
C70 N7 Zn2 N5 -94.9(12) . . . . ?
C67 N7 Zn2 N5 96.6(11) . . . . ?
C70 N7 Zn2 N8 -11.9(7) . . . . ?
C67 N7 Zn2 N8 179.7(6) . . . . ?
C70 N7 Zn2 O2 87.5(7) . . . . ?
C67 N7 Zn2 O2 -81.0(7) . . . . ?
C105 O2 Zn2 N6 -6.0(10) . . . . ?
C105 O2 Zn2 N5 -97.6(10) . . . . ?
C105 O2 Zn2 N8 172.9(10) . . . . ?
C105 O2 Zn2 N7 81.8(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        65.00
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         2.480
_refine_diff_density_min         -2.311
_refine_diff_density_rms         0.142
####################################################################### 
# 
# 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_40702t
_database_code_depnum_ccdc_archive 'CCDC 1406331'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
2-2, 18-18-doubly Pt(II)-bridged Ni(II) diporphyrin
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C139.38 H155 N8 Ni2 Pt2, 7.3(C H Cl3), 0.63(C H3), 5.45(H)'
_chemical_formula_sum            'C147.31 H169.64 Cl21.90 N8 Ni2 Pt2'
_chemical_formula_weight         3336.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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'
Cl Cl 0.3639 0.7018 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.4832(10)
_cell_length_b                   20.2466(16)
_cell_length_c                   21.267(3)
_cell_angle_alpha                86.76(2)
_cell_angle_beta                 81.40(2)
_cell_angle_gamma                67.434(11)
_cell_volume                     7659.6(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    8191
_cell_measurement_theta_min      25.8
_cell_measurement_theta_max      68.2

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3387
_exptl_absorpt_coefficient_mu    7.512
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2115
_exptl_absorpt_correction_T_max  0.5204
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            94058
_diffrn_reflns_av_R_equivalents  0.0528
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         6.55
_diffrn_reflns_theta_max         66.00
_reflns_number_total             25907
_reflns_number_gt                25068
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+170.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         25907
_refine_ls_number_parameters     1817
_refine_ls_number_restraints     425
_refine_ls_R_factor_all          0.0701
_refine_ls_R_factor_gt           0.0685
_refine_ls_wR_factor_ref         0.1570
_refine_ls_wR_factor_gt          0.1561
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3449(4) 0.2664(4) 0.6767(3) 0.0102(14) Uani 1 1 d . . .
C2 C 0.3124(4) 0.2823(4) 0.6187(4) 0.0121(15) Uani 1 1 d . . .
C3 C 0.2894(4) 0.3543(4) 0.6110(3) 0.0119(15) Uani 1 1 d . . .
H1 H 0.2693 0.3805 0.5751 0.014 Uiso 1 1 calc R . .
C4 C 0.3006(4) 0.3840(4) 0.6666(3) 0.0108(14) Uani 1 1 d . . .
C5 C 0.2740(4) 0.4556(4) 0.6811(3) 0.0133(15) Uani 1 1 d . . .
C6 C 0.2712(4) 0.4779(4) 0.7435(4) 0.0144(15) Uani 1 1 d . . .
C7 C 0.2254(4) 0.5479(4) 0.7676(4) 0.0196(17) Uani 1 1 d . . .
H2 H 0.1985 0.5880 0.7435 0.024 Uiso 1 1 calc R . .
C8 C 0.2272(4) 0.5468(4) 0.8305(4) 0.0198(17) Uani 1 1 d . . .
H3 H 0.2011 0.5856 0.8592 0.024 Uiso 1 1 calc R . .
C9 C 0.2757(4) 0.4761(4) 0.8464(4) 0.0152(16) Uani 1 1 d . . .
C10 C 0.3005(4) 0.4554(4) 0.9054(4) 0.0145(15) Uani 1 1 d . . .
C11 C 0.3620(4) 0.3934(4) 0.9128(3) 0.0149(15) Uani 1 1 d . . .
C12 C 0.4016(5) 0.3784(5) 0.9664(4) 0.0235(18) Uani 1 1 d . . .
H4 H 0.3857 0.4043 1.0053 0.028 Uiso 1 1 calc R . .
C13 C 0.4652(5) 0.3213(4) 0.9521(4) 0.0207(17) Uani 1 1 d . . .
H5 H 0.5040 0.3008 0.9779 0.025 Uiso 1 1 calc R . .
C14 C 0.4639(4) 0.2968(4) 0.8903(3) 0.0148(15) Uani 1 1 d . . .
C15 C 0.5165(4) 0.2349(4) 0.8610(3) 0.0146(15) Uani 1 1 d . . .
C16 C 0.5030(4) 0.2063(4) 0.8084(4) 0.0141(15) Uani 1 1 d . . .
C17 C 0.5456(4) 0.1354(4) 0.7831(3) 0.0117(14) Uani 1 1 d . . .
H6 H 0.5926 0.1036 0.7941 0.014 Uiso 1 1 calc R . .
C18 C 0.5065(4) 0.1222(4) 0.7406(3) 0.0106(14) Uani 1 1 d . . .
C19 C 0.4416(4) 0.1873(4) 0.7369(3) 0.0091(14) Uani 1 1 d . . .
C20 C 0.3908(4) 0.1998(4) 0.6942(3) 0.0126(15) Uani 1 1 d . . .
H7 H 0.3875 0.1596 0.6759 0.015 Uiso 1 1 calc R . .
C21 C 0.5669(4) 0.0948(4) 0.5604(3) 0.0087(7) Uani 1 1 d U . .
C22 C 0.5901(4) 0.0636(4) 0.6205(3) 0.0096(7) Uani 1 1 d U . .
C23 C 0.6629(4) 0.0572(4) 0.6168(3) 0.0097(7) Uani 1 1 d U . .
H8 H 0.6932 0.0414 0.6500 0.012 Uiso 1 1 calc R . .
C24 C 0.6858(4) 0.0785(4) 0.5539(3) 0.0093(7) Uani 1 1 d U . .
C25 C 0.7583(4) 0.0695(4) 0.5269(3) 0.0103(8) Uani 1 1 d U . .
C26 C 0.7777(4) 0.0758(4) 0.4619(3) 0.0102(14) Uani 1 1 d . . .
C27 C 0.8534(4) 0.0479(4) 0.4288(4) 0.0152(16) Uani 1 1 d . . .
H9 H 0.8983 0.0293 0.4476 0.018 Uiso 1 1 calc R . .
C28 C 0.8483(4) 0.0535(4) 0.3667(4) 0.0149(16) Uani 1 1 d . . .
H10 H 0.8889 0.0378 0.3331 0.018 Uiso 1 1 calc R . .
C29 C 0.7705(4) 0.0871(4) 0.3600(3) 0.0101(14) Uani 1 1 d . . .
C30 C 0.7444(4) 0.1120(4) 0.3015(3) 0.0104(14) Uani 1 1 d . . .
C31 C 0.6729(4) 0.1615(4) 0.2995(3) 0.0113(14) Uani 1 1 d . . .
C32 C 0.6473(4) 0.2030(4) 0.2446(3) 0.0158(16) Uani 1 1 d . . .
H11 H 0.6736 0.1965 0.2025 0.019 Uiso 1 1 calc R . .
C33 C 0.5784(4) 0.2532(4) 0.2640(4) 0.0155(16) Uani 1 1 d . . .
H12 H 0.5485 0.2899 0.2384 0.019 Uiso 1 1 calc R . .
C34 C 0.5589(4) 0.2409(4) 0.3296(4) 0.0125(15) Uani 1 1 d . . .
C35 C 0.4870(4) 0.2726(4) 0.3637(3) 0.0122(15) Uani 1 1 d . . .
C36 C 0.4659(4) 0.2454(4) 0.4213(3) 0.0099(14) Uani 1 1 d . . .
C37 C 0.3895(4) 0.2643(4) 0.4517(3) 0.0099(14) Uani 1 1 d . . .
H13 H 0.3470 0.3029 0.4399 0.012 Uiso 1 1 calc R . .
C38 C 0.3886(4) 0.2177(4) 0.5002(3) 0.0100(14) Uani 1 1 d . . .
C39 C 0.4672(4) 0.1722(4) 0.5017(3) 0.0085(14) Uani 1 1 d . . .
C40 C 0.4924(4) 0.1231(4) 0.5494(3) 0.0103(14) Uani 1 1 d . . .
H14 H 0.4573 0.1080 0.5758 0.012 Uiso 1 1 calc R . .
C41 C 0.2399(4) 0.5131(4) 0.6353(4) 0.0197(17) Uani 1 1 d . . .
C42 C 0.2699(4) 0.5641(4) 0.6210(4) 0.0173(16) Uani 1 1 d . . .
H15 H 0.3157 0.5580 0.6357 0.021 Uiso 1 1 calc R . .
C43 C 0.2350(4) 0.6253(4) 0.5852(4) 0.0182(16) Uani 1 1 d . . .
C44 C 0.1682(4) 0.6317(4) 0.5647(4) 0.0184(17) Uani 1 1 d . . .
H16 H 0.1431 0.6728 0.5409 0.022 Uiso 1 1 calc R . .
C45 C 0.1359(4) 0.5793(4) 0.5778(4) 0.0178(16) Uani 1 1 d . . .
C46 C 0.1723(4) 0.5207(4) 0.6133(3) 0.0134(15) Uani 1 1 d . . .
H17 H 0.1519 0.4851 0.6231 0.016 Uiso 1 1 calc R . .
C47 C 0.2662(5) 0.6845(4) 0.5768(4) 0.0218(18) Uani 1 1 d . . .
C48 C 0.3517(5) 0.6533(6) 0.5574(5) 0.033(2) Uani 1 1 d . . .
H57 H 0.3634 0.6362 0.5134 0.050 Uiso 1 1 calc R . .
H58 H 0.3747 0.6133 0.5855 0.050 Uiso 1 1 calc R . .
H59 H 0.3717 0.6904 0.5609 0.050 Uiso 1 1 calc R . .
C49 C 0.2311(6) 0.7391(5) 0.5279(5) 0.040(3) Uani 1 1 d . . .
H60 H 0.1774 0.7640 0.5426 0.060 Uiso 1 1 calc R . .
H61 H 0.2376 0.7150 0.4875 0.060 Uiso 1 1 calc R . .
H62 H 0.2554 0.7738 0.5218 0.060 Uiso 1 1 calc R . .
C50 C 0.2485(6) 0.7230(5) 0.6418(5) 0.037(2) Uani 1 1 d . . .
H63 H 0.2689 0.7606 0.6380 0.055 Uiso 1 1 calc R . .
H64 H 0.2714 0.6884 0.6741 0.055 Uiso 1 1 calc R . .
H65 H 0.1940 0.7444 0.6542 0.055 Uiso 1 1 calc R . .
C51 C 0.0607(4) 0.5916(5) 0.5561(4) 0.0218(18) Uani 1 1 d . . .
C52 C 0.0651(5) 0.6006(6) 0.4835(4) 0.034(2) Uani 1 1 d . . .
H66 H 0.0829 0.6391 0.4702 0.051 Uiso 1 1 calc R . .
H67 H 0.0152 0.6126 0.4712 0.051 Uiso 1 1 calc R . .
H68 H 0.1000 0.5558 0.4628 0.051 Uiso 1 1 calc R . .
C53 C -0.0003(5) 0.6600(6) 0.5873(5) 0.040(3) Uani 1 1 d . . .
H69 H -0.0034 0.6556 0.6337 0.060 Uiso 1 1 calc R . .
H70 H -0.0488 0.6666 0.5746 0.060 Uiso 1 1 calc R . .
H71 H 0.0125 0.7013 0.5734 0.060 Uiso 1 1 calc R . .
C54 C 0.0350(5) 0.5287(5) 0.5739(5) 0.032(2) Uani 1 1 d . . .
H72 H 0.0731 0.4845 0.5546 0.048 Uiso 1 1 calc R . .
H73 H -0.0127 0.5384 0.5582 0.048 Uiso 1 1 calc R . .
H74 H 0.0284 0.5233 0.6203 0.048 Uiso 1 1 calc R . .
C55 C 0.2666(5) 0.5082(4) 0.9582(4) 0.0188(17) Uani 1 1 d . . .
C56 C 0.1925(5) 0.5286(5) 0.9838(5) 0.032(2) Uani 1 1 d . A .
H18 H 0.1627 0.5071 0.9683 0.038 Uiso 1 1 calc R . .
C57 C 0.1596(6) 0.5799(6) 1.0318(6) 0.050(3) Uani 1 1 d D . .
C58 C 0.2079(6) 0.6105(6) 1.0539(5) 0.037(2) Uani 1 1 d U A .
H19 H 0.1873 0.6458 1.0864 0.044 Uiso 1 1 calc R . .
C59 C 0.2811(6) 0.5905(5) 1.0299(4) 0.030(2) Uani 1 1 d . . .
C60 C 0.3103(5) 0.5398(4) 0.9817(4) 0.0197(17) Uani 1 1 d . A .
H20 H 0.3616 0.5260 0.9640 0.024 Uiso 1 1 calc R . .
C61 C 0.0824(7) 0.5991(7) 1.0699(6) 0.040(4) Uani 0.685(18) 1 d PDU A 3
C65 C 0.3308(7) 0.6246(5) 1.0540(5) 0.041(3) Uani 1 1 d . A .
C66 C 0.3082(7) 0.7015(5) 1.0270(5) 0.040(3) Uani 1 1 d . . .
H75 H 0.3187 0.6995 0.9805 0.060 Uiso 1 1 calc R A .
H76 H 0.3371 0.7254 1.0434 0.060 Uiso 1 1 calc R . .
H77 H 0.2545 0.7282 1.0401 0.060 Uiso 1 1 calc R . .
C67 C 0.3184(10) 0.6279(7) 1.1270(5) 0.066(4) Uani 1 1 d . . .
H78 H 0.2651 0.6541 1.1420 0.099 Uiso 1 1 calc R A .
H79 H 0.3480 0.6524 1.1413 0.099 Uiso 1 1 calc R . .
H80 H 0.3343 0.5792 1.1442 0.099 Uiso 1 1 calc R . .
C68 C 0.4148(7) 0.5821(6) 1.0326(6) 0.054(3) Uani 1 1 d . . .
H81 H 0.4273 0.5316 1.0440 0.081 Uiso 1 1 calc R A .
H82 H 0.4446 0.6012 1.0537 0.081 Uiso 1 1 calc R . .
H83 H 0.4259 0.5862 0.9864 0.081 Uiso 1 1 calc R . .
C69 C 0.5856(4) 0.1928(4) 0.8895(3) 0.0136(15) Uani 1 1 d . . .
C70 C 0.5805(4) 0.1672(4) 0.9530(4) 0.0167(16) Uani 1 1 d . . .
H21 H 0.5327 0.1758 0.9770 0.020 Uiso 1 1 calc R . .
C71 C 0.6455(4) 0.1295(4) 0.9804(4) 0.0168(16) Uani 1 1 d . . .
C72 C 0.7146(4) 0.1133(4) 0.9425(4) 0.0199(17) Uani 1 1 d . . .
H22 H 0.7590 0.0860 0.9602 0.024 Uiso 1 1 calc R . .
C73 C 0.7209(4) 0.1353(4) 0.8803(4) 0.0185(17) Uani 1 1 d . . .
C74 C 0.6563(4) 0.1763(4) 0.8550(4) 0.0155(16) Uani 1 1 d . . .
H23 H 0.6605 0.1936 0.8127 0.019 Uiso 1 1 calc R . .
C75 C 0.6372(5) 0.1079(5) 1.0504(4) 0.029(2) Uani 1 1 d . . .
C76 C 0.6069(15) 0.0498(11) 1.0583(7) 0.128(10) Uani 1 1 d . . .
H84 H 0.5598 0.0653 1.0402 0.191 Uiso 1 1 calc R . .
H85 H 0.5976 0.0395 1.1037 0.191 Uiso 1 1 calc R . .
H86 H 0.6435 0.0065 1.0364 0.191 Uiso 1 1 calc R . .
C77 C 0.5824(8) 0.1741(8) 1.0900(5) 0.072(5) Uani 1 1 d . . .
H87 H 0.5973 0.2148 1.0789 0.108 Uiso 1 1 calc R . .
H88 H 0.5841 0.1634 1.1354 0.108 Uiso 1 1 calc R . .
H89 H 0.5313 0.1858 1.0806 0.108 Uiso 1 1 calc R . .
C78 C 0.7100(7) 0.0867(9) 1.0782(5) 0.069(5) Uani 1 1 d . . .
H196 H 0.7285 0.1256 1.0718 0.104 Uiso 1 1 calc R . .
H197 H 0.7474 0.0433 1.0570 0.104 Uiso 1 1 calc R . .
H198 H 0.7010 0.0775 1.1238 0.104 Uiso 1 1 calc R . .
C79 C 0.7976(5) 0.1154(5) 0.8374(4) 0.028(2) Uani 1 1 d . . .
C80 C 0.8170(6) 0.1836(6) 0.8272(6) 0.045(3) Uani 1 1 d . . .
H93 H 0.8653 0.1718 0.7999 0.068 Uiso 1 1 calc R . .
H94 H 0.8200 0.2008 0.8684 0.068 Uiso 1 1 calc R . .
H95 H 0.7777 0.2209 0.8069 0.068 Uiso 1 1 calc R . .
C81 C 0.8608(5) 0.0573(6) 0.8672(5) 0.039(3) Uani 1 1 d . . .
H96 H 0.8499 0.0138 0.8733 0.058 Uiso 1 1 calc R . .
H97 H 0.8648 0.0739 0.9083 0.058 Uiso 1 1 calc R . .
H98 H 0.9083 0.0468 0.8389 0.058 Uiso 1 1 calc R . .
C82 C 0.7946(6) 0.0888(7) 0.7726(5) 0.046(3) Uani 1 1 d . . .
H99 H 0.7760 0.0500 0.7784 0.069 Uiso 1 1 calc R . .
H100 H 0.8451 0.0712 0.7483 0.069 Uiso 1 1 calc R . .
H101 H 0.7609 0.1282 0.7494 0.069 Uiso 1 1 calc R . .
C83 C 0.8197(4) 0.0500(4) 0.5686(3) 0.0098(13) Uani 1 1 d U . .
C84 C 0.8465(4) -0.0161(4) 0.5991(3) 0.0127(14) Uani 1 1 d U . .
H24 H 0.8241 -0.0497 0.5953 0.015 Uiso 1 1 calc R . .
C85 C 0.9055(4) -0.0339(4) 0.6352(3) 0.0133(14) Uani 1 1 d U . .
C86 C 0.9365(4) 0.0183(4) 0.6396(3) 0.0116(14) Uani 1 1 d U . .
H25 H 0.9769 0.0073 0.6635 0.014 Uiso 1 1 calc R . .
C87 C 0.9104(4) 0.0847(4) 0.6104(3) 0.0138(14) Uani 1 1 d U . .
C88 C 0.8518(4) 0.0995(4) 0.5742(3) 0.0130(14) Uani 1 1 d U . .
H26 H 0.8337 0.1442 0.5531 0.016 Uiso 1 1 calc R . .
C89 C 0.9364(4) -0.1059(4) 0.6684(4) 0.0160(16) Uani 1 1 d . . .
C90 C 0.8858(6) -0.1491(6) 0.6692(6) 0.049(3) Uani 1 1 d . . .
H102 H 0.9065 -0.1936 0.6929 0.073 Uiso 1 1 calc R . .
H103 H 0.8836 -0.1602 0.6255 0.073 Uiso 1 1 calc R . .
H104 H 0.8351 -0.1207 0.6898 0.073 Uiso 1 1 calc R . .
C91 C 0.9472(10) -0.0972(6) 0.7361(5) 0.068(5) Uani 1 1 d . . .
H105 H 0.9825 -0.0733 0.7358 0.102 Uiso 1 1 calc R . .
H106 H 0.9672 -0.1443 0.7559 0.102 Uiso 1 1 calc R . .
H107 H 0.8988 -0.0682 0.7602 0.102 Uiso 1 1 calc R . .
C92 C 1.0133(6) -0.1526(6) 0.6333(6) 0.052(3) Uani 1 1 d . . .
H108 H 1.0491 -0.1296 0.6348 0.078 Uiso 1 1 calc R . .
H109 H 1.0087 -0.1585 0.5889 0.078 Uiso 1 1 calc R . .
H110 H 1.0313 -0.1996 0.6538 0.078 Uiso 1 1 calc R . .
C93 C 0.9416(4) 0.1436(4) 0.6154(4) 0.0171(16) Uani 1 1 d . . .
C94 C 0.8768(5) 0.2142(5) 0.6380(5) 0.0268(19) Uani 1 1 d . . .
H111 H 0.8506 0.2066 0.6791 0.040 Uiso 1 1 calc R . .
H112 H 0.8415 0.2299 0.6067 0.040 Uiso 1 1 calc R . .
H113 H 0.8970 0.2509 0.6424 0.040 Uiso 1 1 calc R . .
C95 C 0.9795(5) 0.1552(5) 0.5493(4) 0.028(2) Uani 1 1 d . . .
H114 H 0.9948 0.1958 0.5509 0.042 Uiso 1 1 calc R . .
H115 H 0.9440 0.1652 0.5185 0.042 Uiso 1 1 calc R . .
H116 H 1.0237 0.1120 0.5364 0.042 Uiso 1 1 calc R . .
C96 C 0.9995(5) 0.1233(5) 0.6618(4) 0.0243(19) Uani 1 1 d . . .
H117 H 1.0185 0.1616 0.6630 0.036 Uiso 1 1 calc R . .
H118 H 1.0413 0.0787 0.6477 0.036 Uiso 1 1 calc R . .
H119 H 0.9759 0.1167 0.7044 0.036 Uiso 1 1 calc R . .
C97 C 0.7973(4) 0.0877(4) 0.2415(3) 0.0124(15) Uani 1 1 d . . .
C98 C 0.8215(4) 0.0168(4) 0.2221(3) 0.0129(15) Uani 1 1 d . . .
H27 H 0.8045 -0.0154 0.2477 0.015 Uiso 1 1 calc R . .
C99 C 0.8701(4) -0.0079(5) 0.1660(4) 0.0183(17) Uani 1 1 d . B .
C100 C 0.8940(4) 0.0407(5) 0.1293(3) 0.0177(17) Uani 1 1 d . . .
H28 H 0.9272 0.0244 0.0909 0.021 Uiso 1 1 calc R . .
C101 C 0.8711(4) 0.1126(5) 0.1467(4) 0.0203(17) Uani 1 1 d . . .
C102 C 0.8238(4) 0.1347(4) 0.2041(4) 0.0170(16) Uani 1 1 d . . .
H29 H 0.8093 0.1825 0.2181 0.020 Uiso 1 1 calc R . .
C103 C 0.8953(5) -0.0861(5) 0.1444(4) 0.0227(18) Uani 1 1 d . . .
C104 C 0.8764(11) -0.0913(10) 0.0806(8) 0.041(5) Uani 0.610(13) 1 d P B 1
H148 H 0.9032 -0.0693 0.0492 0.061 Uiso 0.610(13) 1 calc PR B 1
H149 H 0.8222 -0.0664 0.0806 0.061 Uiso 0.610(13) 1 calc PR B 1
H150 H 0.8912 -0.1417 0.0697 0.061 Uiso 0.610(13) 1 calc PR B 1
C105 C 0.9833(9) -0.1195(8) 0.1408(8) 0.033(4) Uani 0.610(13) 1 d P B 1
H151 H 0.9973 -0.1121 0.1814 0.049 Uiso 0.610(13) 1 calc PR B 1
H152 H 1.0056 -0.0963 0.1067 0.049 Uiso 0.610(13) 1 calc PR B 1
H153 H 1.0016 -0.1708 0.1321 0.049 Uiso 0.610(13) 1 calc PR B 1
C106 C 0.8649(10) -0.1306(8) 0.1934(8) 0.036(4) Uani 0.610(13) 1 d P B 1
H154 H 0.8880 -0.1811 0.1810 0.053 Uiso 0.610(13) 1 calc PR B 1
H155 H 0.8104 -0.1139 0.1952 0.053 Uiso 0.610(13) 1 calc PR B 1
H156 H 0.8772 -0.1251 0.2354 0.053 Uiso 0.610(13) 1 calc PR B 1
C107 C 0.8986(5) 0.1636(5) 0.1034(4) 0.030(2) Uani 1 1 d . . .
C108 C 0.8643(10) 0.2393(7) 0.1270(9) 0.100(7) Uani 1 1 d . . .
H120 H 0.8103 0.2525 0.1402 0.150 Uiso 1 1 calc R . .
H121 H 0.8723 0.2713 0.0929 0.150 Uiso 1 1 calc R . .
H122 H 0.8879 0.2436 0.1633 0.150 Uiso 1 1 calc R . .
C109 C 0.8760(7) 0.1635(8) 0.0365(5) 0.056(4) Uani 1 1 d . . .
H123 H 0.8212 0.1814 0.0397 0.084 Uiso 1 1 calc R . .
H124 H 0.8977 0.1146 0.0197 0.084 Uiso 1 1 calc R . .
H125 H 0.8949 0.1943 0.0080 0.084 Uiso 1 1 calc R . .
C110 C 0.9836(6) 0.1379(7) 0.0967(5) 0.043(3) Uani 1 1 d . . .
H126 H 1.0004 0.1706 0.0689 0.064 Uiso 1 1 calc R . .
H127 H 1.0061 0.0898 0.0782 0.064 Uiso 1 1 calc R . .
H128 H 0.9990 0.1367 0.1387 0.064 Uiso 1 1 calc R . .
C111 C 0.4291(4) 0.3332(4) 0.3337(3) 0.0132(15) Uani 1 1 d . . .
C112 C 0.4083(4) 0.3222(4) 0.2758(3) 0.0159(16) Uani 1 1 d . . .
H30 H 0.4269 0.2754 0.2585 0.019 Uiso 1 1 calc R . .
C113 C 0.3602(4) 0.3796(5) 0.2435(4) 0.0212(18) Uani 1 1 d . . .
C114 C 0.3310(5) 0.4465(5) 0.2724(4) 0.027(2) Uani 1 1 d . . .
H31 H 0.2973 0.4855 0.2515 0.033 Uiso 1 1 calc R . .
C115 C 0.3487(5) 0.4591(5) 0.3304(4) 0.028(2) Uani 1 1 d . B .
C116 C 0.3989(4) 0.4009(4) 0.3606(4) 0.0195(17) Uani 1 1 d . . .
H32 H 0.4123 0.4080 0.4001 0.023 Uiso 1 1 calc R . .
C117 C 0.3452(5) 0.3660(5) 0.1771(4) 0.032(2) Uani 1 1 d . . .
C118 C 0.2892(6) 0.4315(5) 0.1493(5) 0.037(2) Uani 1 1 d . . .
H129 H 0.2418 0.4482 0.1783 0.056 Uiso 1 1 calc R . .
H130 H 0.2804 0.4192 0.1081 0.056 Uiso 1 1 calc R . .
H131 H 0.3092 0.4694 0.1434 0.056 Uiso 1 1 calc R . .
C119 C 0.3116(9) 0.3069(7) 0.1812(6) 0.062(4) Uani 1 1 d . . .
H132 H 0.2638 0.3229 0.2097 0.094 Uiso 1 1 calc R . .
H133 H 0.3467 0.2627 0.1978 0.094 Uiso 1 1 calc R . .
H134 H 0.3031 0.2980 0.1388 0.094 Uiso 1 1 calc R . .
C120 C 0.4204(7) 0.3419(9) 0.1331(5) 0.079(6) Uani 1 1 d . . .
H135 H 0.4133 0.3303 0.0910 0.119 Uiso 1 1 calc R . .
H136 H 0.4567 0.2995 0.1511 0.119 Uiso 1 1 calc R . .
H137 H 0.4394 0.3805 0.1291 0.119 Uiso 1 1 calc R . .
C121 C 0.3185(5) 0.5337(6) 0.3597(5) 0.046(3) Uani 1 1 d DU . .
C122 C 0.3680(11) 0.5470(12) 0.4017(8) 0.047(4) Uani 0.610(13) 1 d PDU B 1
H157 H 0.3472 0.5975 0.4139 0.071 Uiso 0.610(13) 1 calc PR B 1
H158 H 0.4186 0.5348 0.3784 0.071 Uiso 0.610(13) 1 calc PR B 1
H159 H 0.3702 0.5173 0.4399 0.071 Uiso 0.610(13) 1 calc PR B 1
C123 C 0.3052(10) 0.5914(8) 0.3083(7) 0.037(4) Uani 0.610(13) 1 d PDU B 1
H160 H 0.2925 0.6380 0.3280 0.055 Uiso 0.610(13) 1 calc PR B 1
H161 H 0.2637 0.5928 0.2866 0.055 Uiso 0.610(13) 1 calc PR B 1
H162 H 0.3508 0.5805 0.2775 0.055 Uiso 0.610(13) 1 calc PR B 1
C124 C 0.2425(10) 0.5480(11) 0.3983(9) 0.060(5) Uani 0.610(13) 1 d PDU B 1
H163 H 0.2459 0.5085 0.4281 0.090 Uiso 0.610(13) 1 calc PR B 1
H164 H 0.2061 0.5520 0.3697 0.090 Uiso 0.610(13) 1 calc PR B 1
H165 H 0.2263 0.5928 0.4220 0.090 Uiso 0.610(13) 1 calc PR B 1
C125 C 0.3952(5) -0.0120(5) 0.7156(4) 0.0247(9) Uani 1 1 d U . .
H33 H 0.3621 0.0303 0.6940 0.030 Uiso 1 1 calc R . .
H34 H 0.3628 -0.0334 0.7421 0.030 Uiso 1 1 calc R . .
C126 C 0.4462(5) -0.0661(5) 0.6653(4) 0.0246(9) Uani 1 1 d U . .
H35 H 0.4165 -0.0670 0.6317 0.029 Uiso 1 1 calc R . .
H36 H 0.4632 -0.1141 0.6852 0.029 Uiso 1 1 calc R . .
C127 C 0.5156(5) -0.0522(5) 0.6339(4) 0.0241(9) Uani 1 1 d U . .
H37 H 0.5105 -0.0215 0.5979 0.029 Uiso 1 1 calc R . .
C128 C 0.5854(5) -0.0817(4) 0.6546(4) 0.0248(9) Uani 1 1 d U . .
H38 H 0.6250 -0.0704 0.6311 0.030 Uiso 1 1 calc R . .
C129 C 0.6036(5) -0.1301(5) 0.7115(4) 0.0260(9) Uani 1 1 d U . .
H39 H 0.6511 -0.1312 0.7236 0.031 Uiso 1 1 calc R . .
H40 H 0.6121 -0.1793 0.6988 0.031 Uiso 1 1 calc R . .
C130 C 0.5429(5) -0.1087(5) 0.7704(4) 0.0262(9) Uani 1 1 d U . .
H41 H 0.5053 -0.1294 0.7662 0.031 Uiso 1 1 calc R . .
H42 H 0.5667 -0.1300 0.8086 0.031 Uiso 1 1 calc R . .
C131 C 0.5032(5) -0.0294(5) 0.7803(4) 0.0251(9) Uani 1 1 d U . .
H43 H 0.5256 -0.0059 0.8033 0.030 Uiso 1 1 calc R . .
C132 C 0.4355(5) 0.0124(5) 0.7583(4) 0.0244(9) Uani 1 1 d U . .
H44 H 0.4130 0.0610 0.7716 0.029 Uiso 1 1 calc R . .
C133 C 0.2316(5) 0.0997(5) 0.6171(4) 0.0222(8) Uani 1 1 d U . .
H45 H 0.1844 0.1039 0.6020 0.027 Uiso 1 1 calc R . .
H46 H 0.2374 0.0693 0.6555 0.027 Uiso 1 1 calc R . .
C134 C 0.2978(5) 0.0632(5) 0.5652(4) 0.0222(8) Uani 1 1 d U . .
H47 H 0.3439 0.0415 0.5856 0.027 Uiso 1 1 calc R . .
H48 H 0.2891 0.0239 0.5466 0.027 Uiso 1 1 calc R . .
C135 C 0.3114(5) 0.1107(5) 0.5124(4) 0.0214(8) Uani 1 1 d U . .
H49 H 0.3623 0.1012 0.4957 0.026 Uiso 1 1 calc R . .
C136 C 0.2578(4) 0.1667(5) 0.4855(4) 0.0211(8) Uani 1 1 d U . .
H50 H 0.2750 0.1947 0.4546 0.025 Uiso 1 1 calc R . .
C137 C 0.1739(4) 0.1872(5) 0.5013(4) 0.0217(8) Uani 1 1 d U . .
H51 H 0.1639 0.1436 0.5142 0.026 Uiso 1 1 calc R . .
H52 H 0.1506 0.2060 0.4624 0.026 Uiso 1 1 calc R . .
C138 C 0.1359(4) 0.2439(5) 0.5549(4) 0.0219(8) Uani 1 1 d U . .
H53 H 0.1247 0.2920 0.5358 0.026 Uiso 1 1 calc R . .
H54 H 0.0874 0.2407 0.5732 0.026 Uiso 1 1 calc R . .
C139 C 0.1817(4) 0.2366(5) 0.6081(4) 0.0216(8) Uani 1 1 d U . .
H55 H 0.1800 0.2797 0.6249 0.026 Uiso 1 1 calc R . .
C140 C 0.2254(4) 0.1740(5) 0.6348(4) 0.0217(8) Uani 1 1 d U . .
H56 H 0.2537 0.1772 0.6664 0.026 Uiso 1 1 calc R . .
C141 C 0.2130(5) 0.3664(6) 0.3616(5) 0.044(3) Uani 1 1 d . . .
H204 H 0.2645 0.3663 0.3485 0.053 Uiso 1 1 calc R . .
C142 C 0.1629(7) 0.3743(8) 0.7974(7) 0.060(4) Uani 1 1 d . . .
H138 H 0.2116 0.3732 0.7737 0.072 Uiso 1 1 calc R . .
C144 C 0.5880(6) 0.4563(6) 0.2057(5) 0.034(2) Uani 1 1 d . . .
H139 H 0.6265 0.4769 0.2090 0.041 Uiso 1 1 calc R . .
C145 C 0.5664(8) 0.2666(7) 0.6595(6) 0.061(4) Uani 1 1 d . . .
H140 H 0.5520 0.2287 0.6832 0.073 Uiso 1 1 calc R . .
C146 C 0.3463(9) 0.1938(9) 0.9168(7) 0.076(4) Uani 1 1 d . . .
H141 H 0.3634 0.2252 0.8857 0.091 Uiso 1 1 calc R . .
N1 N 0.3353(3) 0.3285(3) 0.7068(3) 0.0098(12) Uani 1 1 d . . .
N2 N 0.3023(3) 0.4342(3) 0.7921(3) 0.0126(13) Uani 1 1 d . . .
N3 N 0.4005(3) 0.3416(3) 0.8663(3) 0.0133(13) Uani 1 1 d . . .
N4 N 0.4402(3) 0.2388(3) 0.7778(3) 0.0096(12) Uani 1 1 d . . .
N5 N 0.6258(3) 0.1022(3) 0.5199(3) 0.0078(7) Uani 1 1 d U . .
N6 N 0.7277(3) 0.1011(3) 0.4188(3) 0.0103(12) Uani 1 1 d . . .
N7 N 0.6177(3) 0.1851(3) 0.3525(3) 0.0093(12) Uani 1 1 d . . .
N8 N 0.5134(3) 0.1900(3) 0.4541(3) 0.0097(12) Uani 1 1 d . . .
Cl1 Cl 0.21283(16) 0.28259(18) 0.34191(14) 0.0565(8) Uani 1 1 d . . .
Cl2 Cl 0.14920(15) 0.43578(19) 0.32159(15) 0.0626(9) Uani 1 1 d . . .
Cl3 Cl 0.18897(13) 0.37986(16) 0.44497(13) 0.0458(6) Uani 1 1 d . . .
Cl4 Cl 0.1484(2) 0.2974(2) 0.77533(19) 0.0797(12) Uani 1 1 d . . .
Cl5 Cl 0.0936(2) 0.4530(3) 0.7804(3) 0.0984(15) Uani 1 1 d . . .
Cl6 Cl 0.1699(2) 0.3680(2) 0.87950(17) 0.0732(10) Uani 1 1 d . . .
C143 C 0.3196(7) 0.0290(11) 0.1171(6) 0.037(6) Uani 0.60 1 d PDU C 5
H199 H 0.3300 -0.0228 0.1115 0.045 Uiso 0.60 1 calc PR C 5
Cl7 Cl 0.3988(3) 0.0464(3) 0.0830(2) 0.0600(14) Uani 0.60 1 d PDU C 5
Cl8 Cl 0.2427(4) 0.0809(3) 0.0778(4) 0.083(2) Uani 0.60 1 d PDU C 5
Cl9 Cl 0.3005(3) 0.0490(2) 0.1991(2) 0.0469(11) Uani 0.60 1 d PDU C 5
Cl10 Cl 0.63160(18) 0.37792(15) 0.16021(13) 0.0516(7) Uani 1 1 d . . .
Cl11 Cl 0.51617(17) 0.51959(17) 0.16824(15) 0.0561(7) Uani 1 1 d . . .
Cl12 Cl 0.55428(18) 0.43771(16) 0.28245(12) 0.0503(7) Uani 1 1 d . . .
Cl13 Cl 0.5349(2) 0.3425(2) 0.70916(19) 0.0825(14) Uani 1 1 d . . .
Cl14 Cl 0.6645(2) 0.23345(18) 0.6420(2) 0.0760(11) Uani 1 1 d . . .
Cl15 Cl 0.5243(3) 0.2862(2) 0.5908(2) 0.0879(13) Uani 1 1 d . . .
Cl16 Cl 0.4254(3) 0.1151(2) 0.9260(2) 0.0864(12) Uani 1 1 d . . .
Cl17 Cl 0.2841(3) 0.1703(3) 0.8833(3) 0.1094(16) Uani 1 1 d . . .
Cl18 Cl 0.3097(4) 0.2405(3) 0.9872(2) 0.127(2) Uani 1 1 d . . .
Pt1 Pt 0.300623(15) 0.211584(16) 0.560402(13) 0.00777(8) Uani 1 1 d . . .
Pt2 Pt 0.529819(15) 0.030866(15) 0.692909(13) 0.00843(8) Uani 1 1 d . . .
Ni1 Ni 0.62081(6) 0.14574(6) 0.43647(5) 0.0076(2) Uani 1 1 d . . .
Ni2 Ni 0.36966(7) 0.33588(6) 0.78569(5) 0.0103(3) Uani 1 1 d . . .
C147 C 0.8233(13) -0.1032(14) 0.1438(12) 0.031(6) Uiso 0.390(13) 1 d P B 2
H166 H 0.8381 -0.1543 0.1357 0.046 Uiso 0.390(13) 1 calc PR B 2
H167 H 0.7953 -0.0753 0.1102 0.046 Uiso 0.390(13) 1 calc PR B 2
H168 H 0.7915 -0.0905 0.1851 0.046 Uiso 0.390(13) 1 calc PR B 2
C148 C 0.9425(13) -0.1375(13) 0.1895(11) 0.030(6) Uiso 0.390(13) 1 d P B 2
H169 H 0.9514 -0.1866 0.1782 0.045 Uiso 0.390(13) 1 calc PR B 2
H170 H 0.9163 -0.1273 0.2331 0.045 Uiso 0.390(13) 1 calc PR B 2
H171 H 0.9907 -0.1319 0.1868 0.045 Uiso 0.390(13) 1 calc PR B 2
C149 C 0.9376(15) -0.0981(15) 0.0777(12) 0.035(6) Uiso 0.390(13) 1 d P B 2
H172 H 0.9828 -0.0875 0.0763 0.053 Uiso 0.390(13) 1 calc PR B 2
H173 H 0.9054 -0.0664 0.0481 0.053 Uiso 0.390(13) 1 calc PR B 2
H174 H 0.9518 -0.1480 0.0653 0.053 Uiso 0.390(13) 1 calc PR B 2
Cl19 Cl 0.1228(6) 0.5749(7) 0.2225(6) 0.137(5) Uani 0.50 1 d P D 4
Cl20 Cl 0.0164(8) 0.6140(8) 0.3338(5) 0.161(7) Uani 0.50 1 d P D 4
Cl21 Cl 0.0282(15) 0.7210(7) 0.2476(8) 0.223(11) Uani 0.50 1 d P D 4
C150 C 0.037(2) 0.6348(19) 0.2573(15) 0.085(11) Uani 0.50 1 d P D 4
H214 H -0.0012 0.6293 0.2341 0.102 Uiso 0.50 1 calc PR D 4
C151 C 0.0391(15) 0.6774(10) 1.0581(9) 0.054(6) Uani 0.685(18) 1 d PDU A 3
H142 H 0.0421 0.6864 1.0122 0.082 Uiso 0.50 1 calc PR A 3
H143 H 0.0606 0.7062 1.0778 0.082 Uiso 0.50 1 calc PR A 3
H144 H -0.0135 0.6903 1.0766 0.082 Uiso 0.50 1 calc PR A 3
C152 C 0.0428(13) 0.5563(12) 1.0450(12) 0.069(8) Uani 0.685(18) 1 d PDU A 3
H145 H -0.0111 0.5777 1.0604 0.104 Uiso 0.50 1 calc PR A 3
H146 H 0.0633 0.5069 1.0601 0.104 Uiso 0.50 1 calc PR A 3
H147 H 0.0506 0.5568 0.9984 0.104 Uiso 0.50 1 calc PR A 3
C153 C 0.0820(11) 0.5861(11) 1.1406(8) 0.071(7) Uani 0.685(18) 1 d PDU A 3
H190 H 0.1059 0.6145 1.1578 0.107 Uiso 0.50 1 calc PR A 3
H191 H 0.1097 0.5352 1.1484 0.107 Uiso 0.50 1 calc PR A 3
H192 H 0.0301 0.6002 1.1616 0.107 Uiso 0.50 1 calc PR A 3
C154 C 0.2753(16) 0.5256(17) 0.4287(12) 0.043(7) Uani 0.390(13) 1 d PDU B 2
H184 H 0.3117 0.5064 0.4589 0.065 Uiso 0.390(13) 1 calc PR B 2
H185 H 0.2495 0.4931 0.4258 0.065 Uiso 0.390(13) 1 calc PR B 2
H186 H 0.2385 0.5726 0.4435 0.065 Uiso 0.390(13) 1 calc PR B 2
C157 C 0.3851(18) 0.552(2) 0.3811(16) 0.047(4) Uani 0.39 1 d PDU B 2
H193 H 0.4191 0.5105 0.4014 0.071 Uiso 0.390(13) 1 calc PR B 2
H194 H 0.3635 0.5924 0.4112 0.071 Uiso 0.390(13) 1 calc PR B 2
H195 H 0.4129 0.5657 0.3436 0.071 Uiso 0.390(13) 1 calc PR B 2
C158 C 0.264(2) 0.611(3) 0.339(4) 0.46(13) Uiso 0.390(13) 1 d PD B 2
H181 H 0.2919 0.6312 0.3071 0.686 Uiso 0.390(13) 1 calc PR B 2
H182 H 0.2433 0.6422 0.3761 0.686 Uiso 0.390(13) 1 calc PR B 2
H183 H 0.2226 0.6060 0.3206 0.686 Uiso 0.390(13) 1 calc PR B 2
Cl25 Cl 0.2369(11) 0.1841(9) 0.1631(8) 0.146(6) Uani 0.40 1 d PDU E 6
Cl26 Cl 0.1910(11) 0.1123(9) 0.0748(10) 0.157(7) Uani 0.40 1 d PDU E 6
Cl27 Cl 0.3238(11) 0.0378(9) 0.1307(10) 0.131(7) Uani 0.40 1 d PDU E 6
C166 C 0.2683(15) 0.1209(12) 0.1009(15) 0.103(15) Uani 0.40 1 d PDU E 6
H201 H 0.2983 0.1362 0.0649 0.123 Uiso 0.40 1 calc PR E 6
Cl31 Cl 0.0822(6) 0.3954(5) 0.1744(8) 0.168(5) Uani 0.60 1 d PDU F 5
Cl29 Cl 0.1351(7) 0.2410(5) 0.1644(6) 0.148(4) Uani 0.60 1 d PDU F 5
Cl30 Cl -0.0223(5) 0.3209(5) 0.2277(5) 0.142(4) Uani 0.60 1 d PDU F 5
C167 C 0.0717(12) 0.3190(10) 0.2086(15) 0.143(15) Uani 0.60 1 d PDU F 5
H202 H 0.0906 0.3141 0.2505 0.172 Uiso 0.60 1 calc PR F 5
Cl32 Cl 0.0580(9) 0.3881(8) 0.2247(6) 0.045(4) Uani 0.20 1 d PDU G 6
Cl33 Cl 0.1430(18) 0.346(3) 0.0978(13) 0.24(2) Uani 0.20 1 d PDU G 6
Cl34 Cl -0.0068(13) 0.3428(17) 0.1279(12) 0.123(9) Uani 0.20 1 d PDU G 6
C168 C 0.0533(17) 0.385(2) 0.1426(8) 0.08(2) Uani 0.20 1 d PDU G 6
H203 H 0.0308 0.4358 0.1279 0.098 Uiso 0.20 1 calc PR G 6
C169 C 0.0237(19) 0.6261(18) 0.9761(15) 0.042(8) Uiso 0.315(18) 1 d PDU A 4
H205 H 0.0438 0.5851 0.9471 0.063 Uiso 0.315(18) 1 calc PR A 4
H206 H 0.0277 0.6683 0.9535 0.063 Uiso 0.315(18) 1 calc PR A 4
H207 H -0.0292 0.6356 0.9918 0.063 Uiso 0.315(18) 1 calc PR A 4
C170 C 0.0712(11) 0.6085(14) 1.0358(12) 0.040(4) Uani 0.32 1 d PDU A 4
C171 C 0.052(3) 0.545(2) 1.074(2) 0.057(13) Uani 0.315(18) 1 d PDU A 4
H208 H 0.0756 0.5005 1.0494 0.085 Uiso 0.315(18) 1 calc PR A 4
H209 H -0.0025 0.5579 1.0818 0.085 Uiso 0.315(18) 1 calc PR A 4
H210 H 0.0713 0.5372 1.1153 0.085 Uiso 0.315(18) 1 calc PR A 4
C172 C 0.030(4) 0.678(2) 1.0818(19) 0.054(6) Uani 0.32 1 d PDU A 4
H211 H 0.0342 0.7201 1.0594 0.082 Uiso 0.315(18) 1 calc PR A 4
H212 H 0.0541 0.6700 1.1203 0.082 Uiso 0.315(18) 1 calc PR A 4
H213 H -0.0231 0.6855 1.0935 0.082 Uiso 0.315(18) 1 calc PR A 4


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C20 1.368(11) . ?
C1 N1 1.379(9) . ?
C1 C2 1.435(10) . ?
C2 C3 1.359(11) . ?
C2 Pt1 2.044(7) . ?
C3 C4 1.437(10) . ?
C3 H1 0.9500 . ?
C4 C5 1.375(11) . ?
C4 N1 1.389(9) . ?
C5 C6 1.412(10) . ?
C5 C41 1.489(11) . ?
C6 N2 1.375(10) . ?
C6 C7 1.430(11) . ?
C7 C8 1.341(12) . ?
C7 H2 0.9500 . ?
C8 C9 1.435(11) . ?
C8 H3 0.9500 . ?
C9 N2 1.384(10) . ?
C9 C10 1.396(11) . ?
C10 C11 1.385(11) . ?
C10 C55 1.488(10) . ?
C11 N3 1.389(10) . ?
C11 C12 1.426(11) . ?
C12 C13 1.340(12) . ?
C12 H4 0.9500 . ?
C13 C14 1.437(10) . ?
C13 H5 0.9500 . ?
C14 N3 1.373(10) . ?
C14 C15 1.387(11) . ?
C15 C16 1.391(10) . ?
C15 C69 1.488(10) . ?
C16 N4 1.387(9) . ?
C16 C17 1.441(10) . ?
C17 C18 1.362(10) . ?
C17 H6 0.9500 . ?
C18 C19 1.443(10) . ?
C18 Pt2 2.021(7) . ?
C19 N4 1.384(9) . ?
C19 C20 1.386(10) . ?
C20 H7 0.9500 . ?
C21 N5 1.379(9) . ?
C21 C40 1.392(10) . ?
C21 C22 1.449(9) . ?
C22 C23 1.365(10) . ?
C22 Pt2 2.032(7) . ?
C23 C24 1.441(10) . ?
C23 H8 0.9500 . ?
C24 N5 1.380(9) . ?
C24 C25 1.388(10) . ?
C25 C26 1.390(10) . ?
C25 C83 1.513(9) . ?
C26 N6 1.373(9) . ?
C26 C27 1.444(10) . ?
C27 C28 1.333(11) . ?
C27 H9 0.9500 . ?
C28 C29 1.429(10) . ?
C28 H10 0.9500 . ?
C29 N6 1.373(9) . ?
C29 C30 1.408(10) . ?
C30 C31 1.373(10) . ?
C30 C97 1.491(9) . ?
C31 N7 1.400(9) . ?
C31 C32 1.436(11) . ?
C32 C33 1.356(11) . ?
C32 H11 0.9500 . ?
C33 C34 1.424(11) . ?
C33 H12 0.9500 . ?
C34 N7 1.393(9) . ?
C34 C35 1.399(10) . ?
C35 C36 1.385(10) . ?
C35 C111 1.500(10) . ?
C36 N8 1.382(9) . ?
C36 C37 1.443(9) . ?
C37 C38 1.361(10) . ?
C37 H13 0.9500 . ?
C38 C39 1.456(9) . ?
C38 Pt1 2.021(7) . ?
C39 N8 1.379(9) . ?
C39 C40 1.385(10) . ?
C40 H14 0.9500 . ?
C41 C42 1.370(12) . ?
C41 C46 1.413(11) . ?
C42 C43 1.406(11) . ?
C42 H15 0.9500 . ?
C43 C44 1.390(11) . ?
C43 C47 1.530(11) . ?
C44 C45 1.425(12) . ?
C44 H16 0.9500 . ?
C45 C46 1.376(11) . ?
C45 C51 1.526(10) . ?
C46 H17 0.9500 . ?
C47 C49 1.509(12) . ?
C47 C48 1.537(13) . ?
C47 C50 1.551(13) . ?
C48 H57 0.9800 . ?
C48 H58 0.9800 . ?
C48 H59 0.9800 . ?
C49 H60 0.9800 . ?
C49 H61 0.9800 . ?
C49 H62 0.9800 . ?
C50 H63 0.9800 . ?
C50 H64 0.9800 . ?
C50 H65 0.9800 . ?
C51 C52 1.539(12) . ?
C51 C53 1.541(12) . ?
C51 C54 1.547(13) . ?
C52 H66 0.9800 . ?
C52 H67 0.9800 . ?
C52 H68 0.9800 . ?
C53 H69 0.9800 . ?
C53 H70 0.9800 . ?
C53 H71 0.9800 . ?
C54 H72 0.9800 . ?
C54 H73 0.9800 . ?
C54 H74 0.9800 . ?
C55 C56 1.373(12) . ?
C55 C60 1.401(12) . ?
C56 C57 1.396(14) . ?
C56 H18 0.9500 . ?
C57 C58 1.449(15) . ?
C57 C61 1.513(13) . ?
C57 C170 1.583(18) . ?
C58 C59 1.350(14) . ?
C58 H19 0.9500 . ?
C59 C60 1.388(12) . ?
C59 C65 1.542(14) . ?
C60 H20 0.9500 . ?
C61 C151 1.510(17) . ?
C61 C153 1.512(16) . ?
C61 C152 1.521(18) . ?
C65 C67 1.536(14) . ?
C65 C68 1.538(18) . ?
C65 C66 1.548(14) . ?
C66 H75 0.9800 . ?
C66 H76 0.9800 . ?
C66 H77 0.9800 . ?
C67 H78 0.9800 . ?
C67 H79 0.9800 . ?
C67 H80 0.9800 . ?
C68 H81 0.9800 . ?
C68 H82 0.9800 . ?
C68 H83 0.9800 . ?
C69 C74 1.386(11) . ?
C69 C70 1.421(11) . ?
C70 C71 1.398(11) . ?
C70 H21 0.9500 . ?
C71 C72 1.391(11) . ?
C71 C75 1.531(11) . ?
C72 C73 1.375(12) . ?
C72 H22 0.9500 . ?
C73 C74 1.382(11) . ?
C73 C79 1.549(12) . ?
C74 H23 0.9500 . ?
C75 C76 1.497(16) . ?
C75 C78 1.517(14) . ?
C75 C77 1.550(16) . ?
C76 H84 0.9800 . ?
C76 H85 0.9800 . ?
C76 H86 0.9800 . ?
C77 H87 0.9800 . ?
C77 H88 0.9800 . ?
C77 H89 0.9800 . ?
C78 H196 0.9800 . ?
C78 H197 0.9800 . ?
C78 H198 0.9800 . ?
C79 C82 1.524(13) . ?
C79 C81 1.530(13) . ?
C79 C80 1.560(15) . ?
C80 H93 0.9800 . ?
C80 H94 0.9800 . ?
C80 H95 0.9800 . ?
C81 H96 0.9800 . ?
C81 H97 0.9800 . ?
C81 H98 0.9800 . ?
C82 H99 0.9800 . ?
C82 H100 0.9800 . ?
C82 H101 0.9800 . ?
C83 C88 1.389(10) . ?
C83 C84 1.396(11) . ?
C84 C85 1.398(10) . ?
C84 H24 0.9500 . ?
C85 C86 1.415(11) . ?
C85 C89 1.525(11) . ?
C86 C87 1.388(11) . ?
C86 H25 0.9500 . ?
C87 C88 1.399(10) . ?
C87 C93 1.548(10) . ?
C88 H26 0.9500 . ?
C89 C91 1.514(12) . ?
C89 C92 1.534(12) . ?
C89 C90 1.547(12) . ?
C90 H102 0.9800 . ?
C90 H103 0.9800 . ?
C90 H104 0.9800 . ?
C91 H105 0.9800 . ?
C91 H106 0.9800 . ?
C91 H107 0.9800 . ?
C92 H108 0.9800 . ?
C92 H109 0.9800 . ?
C92 H110 0.9800 . ?
C93 C96 1.533(10) . ?
C93 C95 1.537(11) . ?
C93 C94 1.541(11) . ?
C94 H111 0.9800 . ?
C94 H112 0.9800 . ?
C94 H113 0.9800 . ?
C95 H114 0.9800 . ?
C95 H115 0.9800 . ?
C95 H116 0.9800 . ?
C96 H117 0.9800 . ?
C96 H118 0.9800 . ?
C96 H119 0.9800 . ?
C97 C98 1.394(11) . ?
C97 C102 1.406(11) . ?
C98 C99 1.390(10) . ?
C98 H27 0.9500 . ?
C99 C100 1.397(12) . ?
C99 C103 1.543(12) . ?
C100 C101 1.403(12) . ?
C100 H28 0.9500 . ?
C101 C102 1.394(11) . ?
C101 C107 1.540(12) . ?
C102 H29 0.9500 . ?
C103 C104 1.477(17) . ?
C103 C148 1.51(3) . ?
C103 C149 1.51(3) . ?
C103 C106 1.539(18) . ?
C103 C147 1.57(2) . ?
C103 C105 1.574(17) . ?
C104 H148 0.9800 . ?
C104 H149 0.9800 . ?
C104 H150 0.9800 . ?
C105 H151 0.9800 . ?
C105 H152 0.9800 . ?
C105 H153 0.9800 . ?
C106 H154 0.9800 . ?
C106 H155 0.9800 . ?
C106 H156 0.9800 . ?
C107 C108 1.499(16) . ?
C107 C110 1.520(13) . ?
C107 C109 1.550(15) . ?
C108 H120 0.9800 . ?
C108 H121 0.9800 . ?
C108 H122 0.9800 . ?
C109 H123 0.9800 . ?
C109 H124 0.9800 . ?
C109 H125 0.9800 . ?
C110 H126 0.9800 . ?
C110 H127 0.9800 . ?
C110 H128 0.9800 . ?
C111 C116 1.387(11) . ?
C111 C112 1.406(10) . ?
C112 C113 1.402(11) . ?
C112 H30 0.9500 . ?
C113 C114 1.391(12) . ?
C113 C117 1.544(12) . ?
C114 C115 1.391(13) . ?
C114 H31 0.9500 . ?
C115 C116 1.406(12) . ?
C115 C121 1.526(14) . ?
C116 H32 0.9500 . ?
C117 C118 1.514(12) . ?
C117 C120 1.535(15) . ?
C117 C119 1.562(17) . ?
C118 H129 0.9800 . ?
C118 H130 0.9800 . ?
C118 H131 0.9800 . ?
C119 H132 0.9800 . ?
C119 H133 0.9800 . ?
C119 H134 0.9800 . ?
C120 H135 0.9800 . ?
C120 H136 0.9800 . ?
C120 H137 0.9800 . ?
C121 C124 1.511(15) . ?
C121 C122 1.510(17) . ?
C121 C158 1.60(3) . ?
C121 C123 1.528(15) . ?
C121 C157 1.61(3) . ?
C121 C154 1.61(2) . ?
C122 H157 0.9800 . ?
C122 H158 0.9800 . ?
C122 H159 0.9800 . ?
C123 H160 0.9800 . ?
C123 H161 0.9800 . ?
C123 H162 0.9800 . ?
C124 H163 0.9800 . ?
C124 H164 0.9800 . ?
C124 H165 0.9800 . ?
C125 C132 1.500(12) . ?
C125 C126 1.519(11) . ?
C125 H33 0.9900 . ?
C125 H34 0.9900 . ?
C126 C127 1.536(12) . ?
C126 H35 0.9900 . ?
C126 H36 0.9900 . ?
C127 C128 1.388(13) . ?
C127 Pt2 2.276(8) . ?
C127 H37 0.9500 . ?
C128 C129 1.509(13) . ?
C128 Pt2 2.253(8) . ?
C128 H38 0.9500 . ?
C129 C130 1.542(11) . ?
C129 H39 0.9900 . ?
C129 H40 0.9900 . ?
C130 C131 1.502(12) . ?
C130 H41 0.9900 . ?
C130 H42 0.9900 . ?
C131 C132 1.399(13) . ?
C131 Pt2 2.270(9) . ?
C131 H43 0.9500 . ?
C132 Pt2 2.269(8) . ?
C132 H44 0.9500 . ?
C133 C140 1.527(12) . ?
C133 C134 1.537(11) . ?
C133 H45 0.9900 . ?
C133 H46 0.9900 . ?
C134 C135 1.496(12) . ?
C134 H47 0.9900 . ?
C134 H48 0.9900 . ?
C135 C136 1.378(12) . ?
C135 Pt1 2.259(8) . ?
C135 H49 0.9500 . ?
C136 C137 1.513(11) . ?
C136 Pt1 2.279(8) . ?
C136 H50 0.9500 . ?
C137 C138 1.552(11) . ?
C137 H51 0.9900 . ?
C137 H52 0.9900 . ?
C138 C139 1.511(11) . ?
C138 H53 0.9900 . ?
C138 H54 0.9900 . ?
C139 C140 1.374(12) . ?
C139 Pt1 2.261(8) . ?
C139 H55 0.9500 . ?
C140 Pt1 2.292(8) . ?
C140 H56 0.9500 . ?
C141 Cl2 1.756(11) . ?
C141 Cl1 1.771(13) . ?
C141 Cl3 1.774(12) . ?
C141 H204 1.0000 . ?
C142 Cl5 1.709(15) . ?
C142 Cl6 1.765(15) . ?
C142 Cl4 1.784(15) . ?
C142 H138 1.0000 . ?
C144 Cl12 1.742(10) . ?
C144 Cl10 1.753(11) . ?
C144 Cl11 1.755(10) . ?
C144 H139 1.0000 . ?
C145 Cl15 1.733(16) . ?
C145 Cl14 1.752(15) . ?
C145 Cl13 1.768(12) . ?
C145 H140 1.0000 . ?
C146 Cl17 1.715(17) . ?
C146 Cl18 1.723(18) . ?
C146 Cl16 1.766(17) . ?
C146 H141 1.0000 . ?
N1 Ni2 1.930(6) . ?
N2 Ni2 1.917(6) . ?
N3 Ni2 1.923(6) . ?
N4 Ni2 1.918(6) . ?
N5 Ni1 1.935(6) . ?
N6 Ni1 1.912(6) . ?
N7 Ni1 1.913(6) . ?
N8 Ni1 1.920(6) . ?
C143 Cl7 1.757(13) . ?
C143 Cl9 1.763(13) . ?
C143 Cl8 1.766(13) . ?
C143 H199 1.0000 . ?
C147 H166 0.9800 . ?
C147 H167 0.9800 . ?
C147 H168 0.9800 . ?
C148 H169 0.9800 . ?
C148 H170 0.9800 . ?
C148 H171 0.9800 . ?
C149 H172 0.9800 . ?
C149 H173 0.9800 . ?
C149 H174 0.9800 . ?
Cl19 C150 1.72(4) . ?
Cl20 C150 1.69(4) . ?
Cl21 C150 1.69(4) . ?
C150 H214 1.0000 . ?
C151 H142 0.9800 . ?
C151 H143 0.9800 . ?
C151 H144 0.9800 . ?
C152 H145 0.9800 . ?
C152 H146 0.9800 . ?
C152 H147 0.9800 . ?
C153 H190 0.9800 . ?
C153 H191 0.9800 . ?
C153 H192 0.9800 . ?
C154 H184 0.9800 . ?
C154 H185 0.9800 . ?
C154 H186 0.9800 . ?
C157 H193 0.9800 . ?
C157 H194 0.9800 . ?
C157 H195 0.9800 . ?
C158 H181 0.9800 . ?
C158 H182 0.9800 . ?
C158 H183 0.9800 . ?
Cl25 C166 1.763(19) . ?
Cl26 C166 1.752(19) . ?
Cl27 C166 1.758(19) . ?
C166 H201 1.0000 . ?
Cl31 C167 1.741(18) . ?
Cl29 C167 1.796(18) . ?
Cl30 C167 1.801(18) . ?
C167 H202 1.0000 . ?
Cl32 C168 1.768(10) . ?
Cl33 C168 1.766(10) . ?
Cl34 C168 1.762(10) . ?
C168 H203 1.0000 . ?
C169 C170 1.63(3) . ?
C169 H205 0.9800 . ?
C169 H206 0.9800 . ?
C169 H207 0.9800 . ?
C170 C172 1.62(3) . ?
C170 C171 1.62(3) . ?
C171 H208 0.9800 . ?
C171 H209 0.9800 . ?
C171 H210 0.9800 . ?
C172 H211 0.9800 . ?
C172 H212 0.9800 . ?
C172 H213 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C20 C1 N1 123.6(6) . . ?
C20 C1 C2 124.8(7) . . ?
N1 C1 C2 110.6(6) . . ?
C3 C2 C1 106.1(6) . . ?
C3 C2 Pt1 126.8(6) . . ?
C1 C2 Pt1 127.1(5) . . ?
C2 C3 C4 108.2(6) . . ?
C2 C3 H1 125.9 . . ?
C4 C3 H1 125.9 . . ?
C5 C4 N1 125.2(6) . . ?
C5 C4 C3 125.6(7) . . ?
N1 C4 C3 108.9(6) . . ?
C4 C5 C6 120.4(7) . . ?
C4 C5 C41 123.1(7) . . ?
C6 C5 C41 116.3(7) . . ?
N2 C6 C5 125.8(7) . . ?
N2 C6 C7 109.8(6) . . ?
C5 C6 C7 123.8(7) . . ?
C8 C7 C6 107.6(7) . . ?
C8 C7 H2 126.2 . . ?
C6 C7 H2 126.2 . . ?
C7 C8 C9 107.3(7) . . ?
C7 C8 H3 126.3 . . ?
C9 C8 H3 126.3 . . ?
N2 C9 C10 124.8(7) . . ?
N2 C9 C8 109.4(7) . . ?
C10 C9 C8 125.2(7) . . ?
C11 C10 C9 121.8(7) . . ?
C11 C10 C55 120.1(7) . . ?
C9 C10 C55 117.4(7) . . ?
C10 C11 N3 125.5(7) . . ?
C10 C11 C12 124.3(7) . . ?
N3 C11 C12 109.7(7) . . ?
C13 C12 C11 107.6(7) . . ?
C13 C12 H4 126.2 . . ?
C11 C12 H4 126.2 . . ?
C12 C13 C14 107.2(7) . . ?
C12 C13 H5 126.4 . . ?
C14 C13 H5 126.4 . . ?
N3 C14 C15 125.0(7) . . ?
N3 C14 C13 109.9(7) . . ?
C15 C14 C13 125.1(7) . . ?
C14 C15 C16 121.4(7) . . ?
C14 C15 C69 120.3(6) . . ?
C16 C15 C69 117.9(7) . . ?
N4 C16 C15 124.2(7) . . ?
N4 C16 C17 109.8(6) . . ?
C15 C16 C17 125.5(7) . . ?
C18 C17 C16 107.9(6) . . ?
C18 C17 H6 126.1 . . ?
C16 C17 H6 126.1 . . ?
C17 C18 C19 106.0(6) . . ?
C17 C18 Pt2 128.7(6) . . ?
C19 C18 Pt2 125.3(5) . . ?
N4 C19 C20 123.6(6) . . ?
N4 C19 C18 111.0(6) . . ?
C20 C19 C18 125.1(6) . . ?
C1 C20 C19 124.3(7) . . ?
C1 C20 H7 117.9 . . ?
C19 C20 H7 117.9 . . ?
N5 C21 C40 124.7(6) . . ?
N5 C21 C22 111.4(6) . . ?
C40 C21 C22 123.3(6) . . ?
C23 C22 C21 105.1(6) . . ?
C23 C22 Pt2 127.0(5) . . ?
C21 C22 Pt2 127.8(5) . . ?
C22 C23 C24 108.2(6) . . ?
C22 C23 H8 125.9 . . ?
C24 C23 H8 125.9 . . ?
N5 C24 C25 122.9(6) . . ?
N5 C24 C23 109.8(6) . . ?
C25 C24 C23 126.9(6) . . ?
C24 C25 C26 122.4(6) . . ?
C24 C25 C83 119.8(6) . . ?
C26 C25 C83 117.7(6) . . ?
N6 C26 C25 125.0(6) . . ?
N6 C26 C27 109.7(6) . . ?
C25 C26 C27 124.9(6) . . ?
C28 C27 C26 107.0(6) . . ?
C28 C27 H9 126.5 . . ?
C26 C27 H9 126.5 . . ?
C27 C28 C29 107.6(6) . . ?
C27 C28 H10 126.2 . . ?
C29 C28 H10 126.2 . . ?
N6 C29 C30 125.7(6) . . ?
N6 C29 C28 110.1(6) . . ?
C30 C29 C28 123.4(6) . . ?
C31 C30 C29 120.9(6) . . ?
C31 C30 C97 120.1(6) . . ?
C29 C30 C97 118.8(6) . . ?
C30 C31 N7 124.7(7) . . ?
C30 C31 C32 124.8(7) . . ?
N7 C31 C32 110.2(6) . . ?
C33 C32 C31 107.0(6) . . ?
C33 C32 H11 126.5 . . ?
C31 C32 H11 126.5 . . ?
C32 C33 C34 107.6(7) . . ?
C32 C33 H12 126.2 . . ?
C34 C33 H12 126.2 . . ?
N7 C34 C35 124.1(7) . . ?
N7 C34 C33 110.6(6) . . ?
C35 C34 C33 124.6(7) . . ?
C36 C35 C34 122.0(7) . . ?
C36 C35 C111 119.1(6) . . ?
C34 C35 C111 118.6(6) . . ?
N8 C36 C35 125.1(6) . . ?
N8 C36 C37 109.7(6) . . ?
C35 C36 C37 124.9(7) . . ?
C38 C37 C36 108.6(6) . . ?
C38 C37 H13 125.7 . . ?
C36 C37 H13 125.7 . . ?
C37 C38 C39 104.9(6) . . ?
C37 C38 Pt1 129.4(5) . . ?
C39 C38 Pt1 125.7(5) . . ?
N8 C39 C40 124.4(6) . . ?
N8 C39 C38 111.4(6) . . ?
C40 C39 C38 123.8(6) . . ?
C39 C40 C21 123.0(6) . . ?
C39 C40 H14 118.5 . . ?
C21 C40 H14 118.5 . . ?
C42 C41 C46 119.9(7) . . ?
C42 C41 C5 118.7(7) . . ?
C46 C41 C5 120.9(7) . . ?
C41 C42 C43 122.0(7) . . ?
C41 C42 H15 119.0 . . ?
C43 C42 H15 119.0 . . ?
C44 C43 C42 116.9(7) . . ?
C44 C43 C47 123.1(7) . . ?
C42 C43 C47 119.7(7) . . ?
C43 C44 C45 122.8(7) . . ?
C43 C44 H16 118.6 . . ?
C45 C44 H16 118.6 . . ?
C46 C45 C44 117.8(7) . . ?
C46 C45 C51 122.3(7) . . ?
C44 C45 C51 119.9(7) . . ?
C45 C46 C41 120.6(7) . . ?
C45 C46 H17 119.7 . . ?
C41 C46 H17 119.7 . . ?
C49 C47 C43 112.4(7) . . ?
C49 C47 C48 108.7(8) . . ?
C43 C47 C48 111.1(7) . . ?
C49 C47 C50 108.3(8) . . ?
C43 C47 C50 107.7(7) . . ?
C48 C47 C50 108.5(7) . . ?
C47 C48 H57 109.5 . . ?
C47 C48 H58 109.5 . . ?
H57 C48 H58 109.5 . . ?
C47 C48 H59 109.5 . . ?
H57 C48 H59 109.5 . . ?
H58 C48 H59 109.5 . . ?
C47 C49 H60 109.5 . . ?
C47 C49 H61 109.5 . . ?
H60 C49 H61 109.5 . . ?
C47 C49 H62 109.5 . . ?
H60 C49 H62 109.5 . . ?
H61 C49 H62 109.5 . . ?
C47 C50 H63 109.5 . . ?
C47 C50 H64 109.5 . . ?
H63 C50 H64 109.5 . . ?
C47 C50 H65 109.5 . . ?
H63 C50 H65 109.5 . . ?
H64 C50 H65 109.5 . . ?
C45 C51 C52 111.0(7) . . ?
C45 C51 C53 109.8(7) . . ?
C52 C51 C53 108.2(8) . . ?
C45 C51 C54 112.4(7) . . ?
C52 C51 C54 107.1(7) . . ?
C53 C51 C54 108.1(8) . . ?
C51 C52 H66 109.5 . . ?
C51 C52 H67 109.5 . . ?
H66 C52 H67 109.5 . . ?
C51 C52 H68 109.5 . . ?
H66 C52 H68 109.5 . . ?
H67 C52 H68 109.5 . . ?
C51 C53 H69 109.5 . . ?
C51 C53 H70 109.5 . . ?
H69 C53 H70 109.5 . . ?
C51 C53 H71 109.5 . . ?
H69 C53 H71 109.5 . . ?
H70 C53 H71 109.5 . . ?
C51 C54 H72 109.5 . . ?
C51 C54 H73 109.5 . . ?
H72 C54 H73 109.5 . . ?
C51 C54 H74 109.5 . . ?
H72 C54 H74 109.5 . . ?
H73 C54 H74 109.5 . . ?
C56 C55 C60 118.6(8) . . ?
C56 C55 C10 121.6(8) . . ?
C60 C55 C10 119.8(7) . . ?
C55 C56 C57 122.1(9) . . ?
C55 C56 H18 119.0 . . ?
C57 C56 H18 119.0 . . ?
C56 C57 C58 116.5(9) . . ?
C56 C57 C61 126.7(10) . . ?
C58 C57 C61 116.1(10) . . ?
C56 C57 C170 109.3(13) . . ?
C58 C57 C170 131.3(13) . . ?
C61 C57 C170 29.1(9) . . ?
C59 C58 C57 122.4(9) . . ?
C59 C58 H19 118.8 . . ?
C57 C58 H19 118.8 . . ?
C58 C59 C60 118.4(9) . . ?
C58 C59 C65 121.1(9) . . ?
C60 C59 C65 120.6(9) . . ?
C59 C60 C55 122.1(8) . . ?
C59 C60 H20 118.9 . . ?
C55 C60 H20 118.9 . . ?
C151 C61 C153 109.4(10) . . ?
C151 C61 C57 106.8(13) . . ?
C153 C61 C57 114.8(13) . . ?
C151 C61 C152 108.2(12) . . ?
C153 C61 C152 108.3(11) . . ?
C57 C61 C152 109.1(13) . . ?
C67 C65 C68 107.7(10) . . ?
C67 C65 C59 110.7(10) . . ?
C68 C65 C59 112.0(8) . . ?
C67 C65 C66 109.2(8) . . ?
C68 C65 C66 109.6(10) . . ?
C59 C65 C66 107.5(8) . . ?
C65 C66 H75 109.5 . . ?
C65 C66 H76 109.5 . . ?
H75 C66 H76 109.5 . . ?
C65 C66 H77 109.5 . . ?
H75 C66 H77 109.5 . . ?
H76 C66 H77 109.5 . . ?
C65 C67 H78 109.5 . . ?
C65 C67 H79 109.5 . . ?
H78 C67 H79 109.5 . . ?
C65 C67 H80 109.5 . . ?
H78 C67 H80 109.5 . . ?
H79 C67 H80 109.5 . . ?
C65 C68 H81 109.5 . . ?
C65 C68 H82 109.5 . . ?
H81 C68 H82 109.5 . . ?
C65 C68 H83 109.5 . . ?
H81 C68 H83 109.5 . . ?
H82 C68 H83 109.5 . . ?
C74 C69 C70 118.2(7) . . ?
C74 C69 C15 121.3(7) . . ?
C70 C69 C15 120.5(7) . . ?
C71 C70 C69 120.3(7) . . ?
C71 C70 H21 119.8 . . ?
C69 C70 H21 119.8 . . ?
C72 C71 C70 118.3(7) . . ?
C72 C71 C75 123.3(7) . . ?
C70 C71 C75 118.4(7) . . ?
C73 C72 C71 122.3(7) . . ?
C73 C72 H22 118.8 . . ?
C71 C72 H22 118.8 . . ?
C72 C73 C74 118.7(8) . . ?
C72 C73 C79 122.4(7) . . ?
C74 C73 C79 118.8(7) . . ?
C73 C74 C69 121.9(7) . . ?
C73 C74 H23 119.1 . . ?
C69 C74 H23 119.1 . . ?
C76 C75 C78 111.6(13) . . ?
C76 C75 C71 110.4(9) . . ?
C78 C75 C71 112.2(8) . . ?
C76 C75 C77 109.4(13) . . ?
C78 C75 C77 104.2(10) . . ?
C71 C75 C77 108.9(8) . . ?
C75 C76 H84 109.5 . . ?
C75 C76 H85 109.5 . . ?
H84 C76 H85 109.5 . . ?
C75 C76 H86 109.5 . . ?
H84 C76 H86 109.5 . . ?
H85 C76 H86 109.5 . . ?
C75 C77 H87 109.5 . . ?
C75 C77 H88 109.5 . . ?
H87 C77 H88 109.5 . . ?
C75 C77 H89 109.5 . . ?
H87 C77 H89 109.5 . . ?
H88 C77 H89 109.5 . . ?
C75 C78 H196 109.5 . . ?
C75 C78 H197 109.5 . . ?
H196 C78 H197 109.5 . . ?
C75 C78 H198 109.5 . . ?
H196 C78 H198 109.5 . . ?
H197 C78 H198 109.5 . . ?
C82 C79 C81 108.1(8) . . ?
C82 C79 C73 111.0(8) . . ?
C81 C79 C73 112.1(8) . . ?
C82 C79 C80 108.5(9) . . ?
C81 C79 C80 108.4(8) . . ?
C73 C79 C80 108.7(7) . . ?
C79 C80 H93 109.5 . . ?
C79 C80 H94 109.5 . . ?
H93 C80 H94 109.5 . . ?
C79 C80 H95 109.5 . . ?
H93 C80 H95 109.5 . . ?
H94 C80 H95 109.5 . . ?
C79 C81 H96 109.5 . . ?
C79 C81 H97 109.5 . . ?
H96 C81 H97 109.5 . . ?
C79 C81 H98 109.5 . . ?
H96 C81 H98 109.5 . . ?
H97 C81 H98 109.5 . . ?
C79 C82 H99 109.5 . . ?
C79 C82 H100 109.5 . . ?
H99 C82 H100 109.5 . . ?
C79 C82 H101 109.5 . . ?
H99 C82 H101 109.5 . . ?
H100 C82 H101 109.5 . . ?
C88 C83 C84 119.7(6) . . ?
C88 C83 C25 117.7(7) . . ?
C84 C83 C25 122.6(6) . . ?
C83 C84 C85 121.4(7) . . ?
C83 C84 H24 119.3 . . ?
C85 C84 H24 119.3 . . ?
C84 C85 C86 116.9(7) . . ?
C84 C85 C89 122.5(7) . . ?
C86 C85 C89 120.5(6) . . ?
C87 C86 C85 122.9(7) . . ?
C87 C86 H25 118.5 . . ?
C85 C86 H25 118.5 . . ?
C86 C87 C88 117.9(7) . . ?
C86 C87 C93 124.4(6) . . ?
C88 C87 C93 117.7(7) . . ?
C83 C88 C87 121.1(7) . . ?
C83 C88 H26 119.4 . . ?
C87 C88 H26 119.4 . . ?
C91 C89 C85 111.6(7) . . ?
C91 C89 C92 107.2(9) . . ?
C85 C89 C92 110.3(7) . . ?
C91 C89 C90 108.8(9) . . ?
C85 C89 C90 112.5(7) . . ?
C92 C89 C90 106.1(9) . . ?
C89 C90 H102 109.5 . . ?
C89 C90 H103 109.5 . . ?
H102 C90 H103 109.5 . . ?
C89 C90 H104 109.5 . . ?
H102 C90 H104 109.5 . . ?
H103 C90 H104 109.5 . . ?
C89 C91 H105 109.5 . . ?
C89 C91 H106 109.5 . . ?
H105 C91 H106 109.5 . . ?
C89 C91 H107 109.5 . . ?
H105 C91 H107 109.5 . . ?
H106 C91 H107 109.5 . . ?
C89 C92 H108 109.5 . . ?
C89 C92 H109 109.5 . . ?
H108 C92 H109 109.5 . . ?
C89 C92 H110 109.5 . . ?
H108 C92 H110 109.5 . . ?
H109 C92 H110 109.5 . . ?
C96 C93 C95 108.5(6) . . ?
C96 C93 C94 108.7(7) . . ?
C95 C93 C94 109.0(7) . . ?
C96 C93 C87 112.2(7) . . ?
C95 C93 C87 108.7(6) . . ?
C94 C93 C87 109.8(6) . . ?
C93 C94 H111 109.5 . . ?
C93 C94 H112 109.5 . . ?
H111 C94 H112 109.5 . . ?
C93 C94 H113 109.5 . . ?
H111 C94 H113 109.5 . . ?
H112 C94 H113 109.5 . . ?
C93 C95 H114 109.5 . . ?
C93 C95 H115 109.5 . . ?
H114 C95 H115 109.5 . . ?
C93 C95 H116 109.5 . . ?
H114 C95 H116 109.5 . . ?
H115 C95 H116 109.5 . . ?
C93 C96 H117 109.5 . . ?
C93 C96 H118 109.5 . . ?
H117 C96 H118 109.5 . . ?
C93 C96 H119 109.5 . . ?
H117 C96 H119 109.5 . . ?
H118 C96 H119 109.5 . . ?
C98 C97 C102 119.1(7) . . ?
C98 C97 C30 119.6(7) . . ?
C102 C97 C30 121.3(7) . . ?
C99 C98 C97 121.4(7) . . ?
C99 C98 H27 119.3 . . ?
C97 C98 H27 119.3 . . ?
C98 C99 C100 118.0(7) . . ?
C98 C99 C103 120.9(7) . . ?
C100 C99 C103 121.1(7) . . ?
C99 C100 C101 122.7(7) . . ?
C99 C100 H28 118.6 . . ?
C101 C100 H28 118.6 . . ?
C102 C101 C100 117.4(7) . . ?
C102 C101 C107 122.5(8) . . ?
C100 C101 C107 120.0(7) . . ?
C101 C102 C97 121.3(7) . . ?
C101 C102 H29 119.3 . . ?
C97 C102 H29 119.3 . . ?
C104 C103 C148 135.6(13) . . ?
C104 C103 C149 44.8(12) . . ?
C148 C103 C149 109.9(15) . . ?
C104 C103 C106 111.3(12) . . ?
C148 C103 C106 57.0(12) . . ?
C149 C103 C106 135.8(13) . . ?
C104 C103 C99 112.3(9) . . ?
C148 C103 C99 111.5(11) . . ?
C149 C103 C99 111.8(12) . . ?
C106 C103 C99 112.1(8) . . ?
C104 C103 C147 64.8(12) . . ?
C148 C103 C147 107.9(14) . . ?
C149 C103 C147 107.4(14) . . ?
C106 C103 C147 53.0(12) . . ?
C99 C103 C147 108.2(11) . . ?
C104 C103 C105 108.1(11) . . ?
C148 C103 C105 51.1(11) . . ?
C149 C103 C105 65.4(12) . . ?
C106 C103 C105 106.4(11) . . ?
C99 C103 C105 106.3(8) . . ?
C147 C103 C105 144.8(13) . . ?
C103 C104 H148 109.5 . . ?
C103 C104 H149 109.5 . . ?
C103 C104 H150 109.5 . . ?
C103 C105 H151 109.5 . . ?
C103 C105 H152 109.5 . . ?
C103 C105 H153 109.5 . . ?
C103 C106 H154 109.5 . . ?
C103 C106 H155 109.5 . . ?
C103 C106 H156 109.5 . . ?
C108 C107 C110 109.4(11) . . ?
C108 C107 C101 112.8(8) . . ?
C110 C107 C101 110.2(8) . . ?
C108 C107 C109 107.4(12) . . ?
C110 C107 C109 108.3(8) . . ?
C101 C107 C109 108.6(8) . . ?
C107 C108 H120 109.5 . . ?
C107 C108 H121 109.5 . . ?
H120 C108 H121 109.5 . . ?
C107 C108 H122 109.5 . . ?
H120 C108 H122 109.5 . . ?
H121 C108 H122 109.5 . . ?
C107 C109 H123 109.5 . . ?
C107 C109 H124 109.5 . . ?
H123 C109 H124 109.5 . . ?
C107 C109 H125 109.5 . . ?
H123 C109 H125 109.5 . . ?
H124 C109 H125 109.5 . . ?
C107 C110 H126 109.5 . . ?
C107 C110 H127 109.5 . . ?
H126 C110 H127 109.5 . . ?
C107 C110 H128 109.5 . . ?
H126 C110 H128 109.5 . . ?
H127 C110 H128 109.5 . . ?
C116 C111 C112 119.6(7) . . ?
C116 C111 C35 120.6(7) . . ?
C112 C111 C35 119.7(7) . . ?
C113 C112 C111 120.8(7) . . ?
C113 C112 H30 119.6 . . ?
C111 C112 H30 119.6 . . ?
C114 C113 C112 117.6(8) . . ?
C114 C113 C117 123.7(7) . . ?
C112 C113 C117 118.7(7) . . ?
C115 C114 C113 123.3(8) . . ?
C115 C114 H31 118.4 . . ?
C113 C114 H31 118.4 . . ?
C114 C115 C116 117.7(8) . . ?
C114 C115 C121 122.2(8) . . ?
C116 C115 C121 120.0(8) . . ?
C111 C116 C115 121.0(8) . . ?
C111 C116 H32 119.5 . . ?
C115 C116 H32 119.5 . . ?
C118 C117 C120 109.4(9) . . ?
C118 C117 C113 113.1(8) . . ?
C120 C117 C113 107.4(8) . . ?
C118 C117 C119 106.4(9) . . ?
C120 C117 C119 110.5(11) . . ?
C113 C117 C119 110.1(8) . . ?
C117 C118 H129 109.5 . . ?
C117 C118 H130 109.5 . . ?
H129 C118 H130 109.5 . . ?
C117 C118 H131 109.5 . . ?
H129 C118 H131 109.5 . . ?
H130 C118 H131 109.5 . . ?
C117 C119 H132 109.5 . . ?
C117 C119 H133 109.5 . . ?
H132 C119 H133 109.5 . . ?
C117 C119 H134 109.5 . . ?
H132 C119 H134 109.5 . . ?
H133 C119 H134 109.5 . . ?
C117 C120 H135 109.5 . . ?
C117 C120 H136 109.5 . . ?
H135 C120 H136 109.5 . . ?
C117 C120 H137 109.5 . . ?
H135 C120 H137 109.5 . . ?
H136 C120 H137 109.5 . . ?
C124 C121 C122 108.3(10) . . ?
C124 C121 C115 109.4(11) . . ?
C122 C121 C115 115.4(12) . . ?
C124 C121 C158 73.3(17) . . ?
C122 C121 C158 106(3) . . ?
C115 C121 C158 134(4) . . ?
C124 C121 C123 105.6(10) . . ?
C122 C121 C123 106.5(10) . . ?
C115 C121 C123 111.2(9) . . ?
C158 C121 C123 34(2) . . ?
C124 C121 C157 125.8(16) . . ?
C122 C121 C157 19.6(14) . . ?
C115 C121 C157 111.2(15) . . ?
C158 C121 C157 101(2) . . ?
C123 C121 C157 91.6(16) . . ?
C124 C121 C154 35.2(11) . . ?
C122 C121 C154 80.0(13) . . ?
C115 C121 C154 104.7(13) . . ?
C158 C121 C154 101(2) . . ?
C123 C121 C154 135.3(14) . . ?
C157 C121 C154 99.6(16) . . ?
C121 C122 H157 109.5 . . ?
C121 C122 H158 109.5 . . ?
C121 C122 H159 109.5 . . ?
C121 C123 H160 109.5 . . ?
C121 C123 H161 109.5 . . ?
C121 C123 H162 109.5 . . ?
C121 C124 H163 109.5 . . ?
C121 C124 H164 109.5 . . ?
C121 C124 H165 109.5 . . ?
C132 C125 C126 114.6(7) . . ?
C132 C125 H33 108.6 . . ?
C126 C125 H33 108.6 . . ?
C132 C125 H34 108.6 . . ?
C126 C125 H34 108.6 . . ?
H33 C125 H34 107.6 . . ?
C125 C126 C127 115.3(7) . . ?
C125 C126 H35 108.4 . . ?
C127 C126 H35 108.4 . . ?
C125 C126 H36 108.4 . . ?
C127 C126 H36 108.4 . . ?
H35 C126 H36 107.5 . . ?
C128 C127 C126 124.1(8) . . ?
C128 C127 Pt2 71.3(5) . . ?
C126 C127 Pt2 108.2(5) . . ?
C128 C127 H37 117.9 . . ?
C126 C127 H37 117.9 . . ?
Pt2 C127 H37 90.5 . . ?
C127 C128 C129 125.4(8) . . ?
C127 C128 Pt2 73.0(5) . . ?
C129 C128 Pt2 106.4(5) . . ?
C127 C128 H38 117.3 . . ?
C129 C128 H38 117.3 . . ?
Pt2 C128 H38 90.6 . . ?
C128 C129 C130 115.1(7) . . ?
C128 C129 H39 108.5 . . ?
C130 C129 H39 108.5 . . ?
C128 C129 H40 108.5 . . ?
C130 C129 H40 108.5 . . ?
H39 C129 H40 107.5 . . ?
C131 C130 C129 114.4(7) . . ?
C131 C130 H41 108.7 . . ?
C129 C130 H41 108.7 . . ?
C131 C130 H42 108.7 . . ?
C129 C130 H42 108.7 . . ?
H41 C130 H42 107.6 . . ?
C132 C131 C130 124.7(8) . . ?
C132 C131 Pt2 72.0(5) . . ?
C130 C131 Pt2 110.6(5) . . ?
C132 C131 H43 117.6 . . ?
C130 C131 H43 117.6 . . ?
Pt2 C131 H43 87.4 . . ?
C131 C132 C125 126.3(8) . . ?
C131 C132 Pt2 72.1(5) . . ?
C125 C132 Pt2 105.2(5) . . ?
C131 C132 H44 116.9 . . ?
C125 C132 H44 116.9 . . ?
Pt2 C132 H44 92.8 . . ?
C140 C133 C134 113.1(7) . . ?
C140 C133 H45 109.0 . . ?
C134 C133 H45 109.0 . . ?
C140 C133 H46 109.0 . . ?
C134 C133 H46 109.0 . . ?
H45 C133 H46 107.8 . . ?
C135 C134 C133 115.7(7) . . ?
C135 C134 H47 108.4 . . ?
C133 C134 H47 108.4 . . ?
C135 C134 H48 108.4 . . ?
C133 C134 H48 108.4 . . ?
H47 C134 H48 107.4 . . ?
C136 C135 C134 126.8(7) . . ?
C136 C135 Pt1 73.1(5) . . ?
C134 C135 Pt1 105.4(5) . . ?
C136 C135 H49 116.6 . . ?
C134 C135 H49 116.6 . . ?
Pt1 C135 H49 91.6 . . ?
C135 C136 C137 125.2(8) . . ?
C135 C136 Pt1 71.5(5) . . ?
C137 C136 Pt1 110.1(5) . . ?
C135 C136 H50 117.4 . . ?
C137 C136 H50 117.4 . . ?
Pt1 C136 H50 88.4 . . ?
C136 C137 C138 114.3(7) . . ?
C136 C137 H51 108.7 . . ?
C138 C137 H51 108.7 . . ?
C136 C137 H52 108.7 . . ?
C138 C137 H52 108.7 . . ?
H51 C137 H52 107.6 . . ?
C139 C138 C137 114.8(7) . . ?
C139 C138 H53 108.6 . . ?
C137 C138 H53 108.6 . . ?
C139 C138 H54 108.6 . . ?
C137 C138 H54 108.6 . . ?
H53 C138 H54 107.5 . . ?
C140 C139 C138 126.8(8) . . ?
C140 C139 Pt1 73.7(5) . . ?
C138 C139 Pt1 105.6(5) . . ?
C140 C139 H55 116.6 . . ?
C138 C139 H55 116.6 . . ?
Pt1 C139 H55 90.7 . . ?
C139 C140 C133 124.3(8) . . ?
C139 C140 Pt1 71.2(5) . . ?
C133 C140 Pt1 109.6(5) . . ?
C139 C140 H56 117.8 . . ?
C133 C140 H56 117.8 . . ?
Pt1 C140 H56 89.2 . . ?
Cl2 C141 Cl1 110.5(6) . . ?
Cl2 C141 Cl3 110.1(6) . . ?
Cl1 C141 Cl3 109.5(6) . . ?
Cl2 C141 H204 108.9 . . ?
Cl1 C141 H204 108.9 . . ?
Cl3 C141 H204 108.9 . . ?
Cl5 C142 Cl6 110.8(8) . . ?
Cl5 C142 Cl4 113.1(8) . . ?
Cl6 C142 Cl4 107.8(7) . . ?
Cl5 C142 H138 108.3 . . ?
Cl6 C142 H138 108.3 . . ?
Cl4 C142 H138 108.3 . . ?
Cl12 C144 Cl10 110.8(5) . . ?
Cl12 C144 Cl11 111.3(6) . . ?
Cl10 C144 Cl11 110.5(6) . . ?
Cl12 C144 H139 108.0 . . ?
Cl10 C144 H139 108.0 . . ?
Cl11 C144 H139 108.0 . . ?
Cl15 C145 Cl14 111.5(7) . . ?
Cl15 C145 Cl13 111.1(9) . . ?
Cl14 C145 Cl13 109.8(7) . . ?
Cl15 C145 H140 108.1 . . ?
Cl14 C145 H140 108.1 . . ?
Cl13 C145 H140 108.1 . . ?
Cl17 C146 Cl18 114.7(9) . . ?
Cl17 C146 Cl16 107.9(10) . . ?
Cl18 C146 Cl16 111.6(9) . . ?
Cl17 C146 H141 107.5 . . ?
Cl18 C146 H141 107.5 . . ?
Cl16 C146 H141 107.5 . . ?
C1 N1 C4 105.9(6) . . ?
C1 N1 Ni2 126.7(5) . . ?
C4 N1 Ni2 127.3(5) . . ?
C6 N2 C9 105.9(6) . . ?
C6 N2 Ni2 127.0(5) . . ?
C9 N2 Ni2 127.1(5) . . ?
C14 N3 C11 105.5(6) . . ?
C14 N3 Ni2 128.3(5) . . ?
C11 N3 Ni2 126.2(5) . . ?
C19 N4 C16 105.2(6) . . ?
C19 N4 Ni2 126.8(5) . . ?
C16 N4 Ni2 127.8(5) . . ?
C21 N5 C24 105.3(6) . . ?
C21 N5 Ni1 126.4(4) . . ?
C24 N5 Ni1 128.0(5) . . ?
C29 N6 C26 105.6(6) . . ?
C29 N6 Ni1 127.0(5) . . ?
C26 N6 Ni1 127.4(5) . . ?
C34 N7 C31 104.5(6) . . ?
C34 N7 Ni1 128.0(5) . . ?
C31 N7 Ni1 127.4(5) . . ?
C39 N8 C36 105.3(6) . . ?
C39 N8 Ni1 127.1(5) . . ?
C36 N8 Ni1 127.6(5) . . ?
Cl7 C143 Cl9 109.8(9) . . ?
Cl7 C143 Cl8 108.9(9) . . ?
Cl9 C143 Cl8 111.1(9) . . ?
Cl7 C143 H199 109.0 . . ?
Cl9 C143 H199 109.0 . . ?
Cl8 C143 H199 109.0 . . ?
C38 Pt1 C2 88.4(3) . . ?
C38 Pt1 C135 91.0(3) . . ?
C2 Pt1 C135 163.6(3) . . ?
C38 Pt1 C139 160.8(3) . . ?
C2 Pt1 C139 90.7(3) . . ?
C135 Pt1 C139 95.2(3) . . ?
C38 Pt1 C136 94.2(3) . . ?
C2 Pt1 C136 161.0(3) . . ?
C135 Pt1 C136 35.4(3) . . ?
C139 Pt1 C136 80.7(3) . . ?
C38 Pt1 C140 163.9(3) . . ?
C2 Pt1 C140 95.8(3) . . ?
C135 Pt1 C140 80.5(3) . . ?
C139 Pt1 C140 35.1(3) . . ?
C136 Pt1 C140 86.9(3) . . ?
C18 Pt2 C22 89.9(3) . . ?
C18 Pt2 C128 163.2(3) . . ?
C22 Pt2 C128 89.5(3) . . ?
C18 Pt2 C132 89.2(3) . . ?
C22 Pt2 C132 163.8(3) . . ?
C128 Pt2 C132 96.0(3) . . ?
C18 Pt2 C131 94.6(3) . . ?
C22 Pt2 C131 160.2(3) . . ?
C128 Pt2 C131 80.6(3) . . ?
C132 Pt2 C131 35.9(3) . . ?
C18 Pt2 C127 160.9(3) . . ?
C22 Pt2 C127 94.8(3) . . ?
C128 Pt2 C127 35.7(3) . . ?
C132 Pt2 C127 81.1(3) . . ?
C131 Pt2 C127 87.2(3) . . ?
N6 Ni1 N7 89.9(2) . . ?
N6 Ni1 N8 179.6(3) . . ?
N7 Ni1 N8 90.1(2) . . ?
N6 Ni1 N5 88.9(2) . . ?
N7 Ni1 N5 177.7(3) . . ?
N8 Ni1 N5 91.0(2) . . ?
N2 Ni2 N4 177.7(3) . . ?
N2 Ni2 N3 90.9(3) . . ?
N4 Ni2 N3 89.0(3) . . ?
N2 Ni2 N1 89.3(3) . . ?
N4 Ni2 N1 90.9(2) . . ?
N3 Ni2 N1 177.4(3) . . ?
C103 C147 H166 109.5 . . ?
C103 C147 H167 109.5 . . ?
H166 C147 H167 109.5 . . ?
C103 C147 H168 109.5 . . ?
H166 C147 H168 109.5 . . ?
H167 C147 H168 109.5 . . ?
C103 C148 H169 109.5 . . ?
C103 C148 H170 109.5 . . ?
H169 C148 H170 109.5 . . ?
C103 C148 H171 109.5 . . ?
H169 C148 H171 109.5 . . ?
H170 C148 H171 109.5 . . ?
C103 C149 H172 109.5 . . ?
C103 C149 H173 109.5 . . ?
H172 C149 H173 109.5 . . ?
C103 C149 H174 109.5 . . ?
H172 C149 H174 109.5 . . ?
H173 C149 H174 109.5 . . ?
Cl20 C150 Cl21 112.9(19) . . ?
Cl20 C150 Cl19 112(2) . . ?
Cl21 C150 Cl19 113(3) . . ?
Cl20 C150 H214 105.9 . . ?
Cl21 C150 H214 105.9 . . ?
Cl19 C150 H214 105.9 . . ?
C61 C153 H190 109.5 . . ?
C61 C153 H191 109.5 . . ?
H190 C153 H191 109.5 . . ?
C61 C153 H192 109.5 . . ?
H190 C153 H192 109.5 . . ?
H191 C153 H192 109.5 . . ?
C121 C154 H184 109.5 . . ?
C121 C154 H185 109.5 . . ?
H184 C154 H185 109.5 . . ?
C121 C154 H186 109.5 . . ?
H184 C154 H186 109.5 . . ?
H185 C154 H186 109.5 . . ?
C121 C157 H193 109.5 . . ?
C121 C157 H194 109.5 . . ?
H193 C157 H194 109.5 . . ?
C121 C157 H195 109.5 . . ?
H193 C157 H195 109.5 . . ?
H194 C157 H195 109.5 . . ?
C121 C158 H181 109.5 . . ?
C121 C158 H182 109.5 . . ?
H181 C158 H182 109.5 . . ?
C121 C158 H183 109.4 . . ?
H181 C158 H183 109.5 . . ?
H182 C158 H183 109.5 . . ?
Cl26 C166 Cl27 108.3(15) . . ?
Cl26 C166 Cl25 109.6(15) . . ?
Cl27 C166 Cl25 108.4(15) . . ?
Cl26 C166 H201 110.2 . . ?
Cl27 C166 H201 110.2 . . ?
Cl25 C166 H201 110.2 . . ?
Cl31 C167 Cl29 110.2(12) . . ?
Cl31 C167 Cl30 117.4(14) . . ?
Cl29 C167 Cl30 113.4(13) . . ?
Cl31 C167 H202 104.8 . . ?
Cl29 C167 H202 104.8 . . ?
Cl30 C167 H202 104.8 . . ?
Cl34 C168 Cl33 111.7(13) . . ?
Cl34 C168 Cl32 111.8(12) . . ?
Cl33 C168 Cl32 112.1(13) . . ?
Cl34 C168 H203 107.0 . . ?
Cl33 C168 H203 107.0 . . ?
Cl32 C168 H203 107.0 . . ?
C170 C169 H205 109.5 . . ?
C170 C169 H206 109.5 . . ?
H205 C169 H206 109.5 . . ?
C170 C169 H207 109.5 . . ?
H205 C169 H207 109.5 . . ?
H206 C169 H207 109.5 . . ?
C57 C170 C172 112(3) . . ?
C57 C170 C171 102(3) . . ?
C172 C170 C171 104.9(19) . . ?
C57 C170 C169 126(2) . . ?
C172 C170 C169 104.8(19) . . ?
C171 C170 C169 105.0(19) . . ?
C170 C171 H208 109.5 . . ?
C170 C171 H209 109.5 . . ?
H208 C171 H209 109.5 . . ?
C170 C171 H210 109.5 . . ?
H208 C171 H210 109.5 . . ?
H209 C171 H210 109.5 . . ?
C170 C172 H211 109.5 . . ?
C170 C172 H212 109.5 . . ?
H211 C172 H212 109.5 . . ?
C170 C172 H213 109.5 . . ?
H211 C172 H213 109.5 . . ?
H212 C172 H213 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
C20 C1 C2 C3 -163.2(7) . . . . ?
N1 C1 C2 C3 5.6(8) . . . . ?
C20 C1 C2 Pt1 18.1(10) . . . . ?
N1 C1 C2 Pt1 -173.1(5) . . . . ?
C1 C2 C3 C4 -5.5(8) . . . . ?
Pt1 C2 C3 C4 173.2(5) . . . . ?
C2 C3 C4 C5 -169.6(7) . . . . ?
C2 C3 C4 N1 3.8(8) . . . . ?
N1 C4 C5 C6 -8.8(11) . . . . ?
C3 C4 C5 C6 163.5(7) . . . . ?
N1 C4 C5 C41 177.4(7) . . . . ?
C3 C4 C5 C41 -10.3(12) . . . . ?
C4 C5 C6 N2 9.1(12) . . . . ?
C41 C5 C6 N2 -176.7(7) . . . . ?
C4 C5 C6 C7 -160.7(7) . . . . ?
C41 C5 C6 C7 13.5(11) . . . . ?
N2 C6 C7 C8 -1.2(9) . . . . ?
C5 C6 C7 C8 170.0(7) . . . . ?
C6 C7 C8 C9 1.2(9) . . . . ?
C7 C8 C9 N2 -0.9(9) . . . . ?
C7 C8 C9 C10 171.0(8) . . . . ?
N2 C9 C10 C11 8.6(12) . . . . ?
C8 C9 C10 C11 -162.0(8) . . . . ?
N2 C9 C10 C55 178.7(7) . . . . ?
C8 C9 C10 C55 8.0(12) . . . . ?
C9 C10 C11 N3 -7.3(12) . . . . ?
C55 C10 C11 N3 -177.0(7) . . . . ?
C9 C10 C11 C12 163.2(8) . . . . ?
C55 C10 C11 C12 -6.5(12) . . . . ?
C10 C11 C12 C13 -168.3(8) . . . . ?
N3 C11 C12 C13 3.5(10) . . . . ?
C11 C12 C13 C14 -3.7(10) . . . . ?
C12 C13 C14 N3 2.7(10) . . . . ?
C12 C13 C14 C15 -173.8(8) . . . . ?
N3 C14 C15 C16 -10.7(12) . . . . ?
C13 C14 C15 C16 165.3(8) . . . . ?
N3 C14 C15 C69 176.2(7) . . . . ?
C13 C14 C15 C69 -7.8(12) . . . . ?
C14 C15 C16 N4 5.3(12) . . . . ?
C69 C15 C16 N4 178.5(7) . . . . ?
C14 C15 C16 C17 -165.8(7) . . . . ?
C69 C15 C16 C17 7.5(12) . . . . ?
N4 C16 C17 C18 -4.4(9) . . . . ?
C15 C16 C17 C18 167.7(8) . . . . ?
C16 C17 C18 C19 3.5(8) . . . . ?
C16 C17 C18 Pt2 -174.9(5) . . . . ?
C17 C18 C19 N4 -1.5(8) . . . . ?
Pt2 C18 C19 N4 176.9(5) . . . . ?
C17 C18 C19 C20 172.8(7) . . . . ?
Pt2 C18 C19 C20 -8.8(10) . . . . ?
N1 C1 C20 C19 -10.5(11) . . . . ?
C2 C1 C20 C19 156.8(7) . . . . ?
N4 C19 C20 C1 15.6(11) . . . . ?
C18 C19 C20 C1 -158.0(7) . . . . ?
N5 C21 C22 C23 4.3(8) . . . . ?
C40 C21 C22 C23 -167.0(7) . . . . ?
N5 C21 C22 Pt2 -172.5(5) . . . . ?
C40 C21 C22 Pt2 16.2(11) . . . . ?
C21 C22 C23 C24 -4.6(8) . . . . ?
Pt2 C22 C23 C24 172.3(5) . . . . ?
C22 C23 C24 N5 3.6(8) . . . . ?
C22 C23 C24 C25 -169.0(7) . . . . ?
N5 C24 C25 C26 -7.5(12) . . . . ?
C23 C24 C25 C26 164.2(7) . . . . ?
N5 C24 C25 C83 174.3(7) . . . . ?
C23 C24 C25 C83 -14.0(11) . . . . ?
C24 C25 C26 N6 9.8(12) . . . . ?
C83 C25 C26 N6 -171.9(7) . . . . ?
C24 C25 C26 C27 -161.5(7) . . . . ?
C83 C25 C26 C27 16.8(11) . . . . ?
N6 C26 C27 C28 -2.9(9) . . . . ?
C25 C26 C27 C28 169.5(7) . . . . ?
C26 C27 C28 C29 2.4(9) . . . . ?
C27 C28 C29 N6 -1.1(9) . . . . ?
C27 C28 C29 C30 169.5(7) . . . . ?
N6 C29 C30 C31 8.5(11) . . . . ?
C28 C29 C30 C31 -160.7(7) . . . . ?
N6 C29 C30 C97 -175.7(7) . . . . ?
C28 C29 C30 C97 15.1(11) . . . . ?
C29 C30 C31 N7 -8.0(11) . . . . ?
C97 C30 C31 N7 176.4(6) . . . . ?
C29 C30 C31 C32 163.8(7) . . . . ?
C97 C30 C31 C32 -11.9(11) . . . . ?
C30 C31 C32 C33 -170.5(7) . . . . ?
N7 C31 C32 C33 2.3(9) . . . . ?
C31 C32 C33 C34 -3.3(9) . . . . ?
C32 C33 C34 N7 3.3(9) . . . . ?
C32 C33 C34 C35 -167.4(7) . . . . ?
N7 C34 C35 C36 -7.3(11) . . . . ?
C33 C34 C35 C36 162.2(7) . . . . ?
N7 C34 C35 C111 179.1(7) . . . . ?
C33 C34 C35 C111 -11.4(11) . . . . ?
C34 C35 C36 N8 6.6(11) . . . . ?
C111 C35 C36 N8 -179.8(6) . . . . ?
C34 C35 C36 C37 -165.1(7) . . . . ?
C111 C35 C36 C37 8.5(11) . . . . ?
N8 C36 C37 C38 -4.6(8) . . . . ?
C35 C36 C37 C38 168.2(7) . . . . ?
C36 C37 C38 C39 3.7(8) . . . . ?
C36 C37 C38 Pt1 -178.0(5) . . . . ?
C37 C38 C39 N8 -1.8(8) . . . . ?
Pt1 C38 C39 N8 179.9(5) . . . . ?
C37 C38 C39 C40 171.3(7) . . . . ?
Pt1 C38 C39 C40 -7.0(10) . . . . ?
N8 C39 C40 C21 10.7(11) . . . . ?
C38 C39 C40 C21 -161.5(7) . . . . ?
N5 C21 C40 C39 -11.5(11) . . . . ?
C22 C21 C40 C39 158.6(7) . . . . ?
C4 C5 C41 C42 -123.8(8) . . . . ?
C6 C5 C41 C42 62.1(10) . . . . ?
C4 C5 C41 C46 64.4(10) . . . . ?
C6 C5 C41 C46 -109.7(8) . . . . ?
C46 C41 C42 C43 0.7(12) . . . . ?
C5 C41 C42 C43 -171.2(7) . . . . ?
C41 C42 C43 C44 -0.1(12) . . . . ?
C41 C42 C43 C47 173.3(8) . . . . ?
C42 C43 C44 C45 -0.8(12) . . . . ?
C47 C43 C44 C45 -174.1(8) . . . . ?
C43 C44 C45 C46 1.2(12) . . . . ?
C43 C44 C45 C51 177.3(7) . . . . ?
C44 C45 C46 C41 -0.5(11) . . . . ?
C51 C45 C46 C41 -176.6(7) . . . . ?
C42 C41 C46 C45 -0.4(12) . . . . ?
C5 C41 C46 C45 171.3(7) . . . . ?
C44 C43 C47 C49 -17.3(12) . . . . ?
C42 C43 C47 C49 169.6(8) . . . . ?
C44 C43 C47 C48 -139.3(8) . . . . ?
C42 C43 C47 C48 47.6(10) . . . . ?
C44 C43 C47 C50 101.9(9) . . . . ?
C42 C43 C47 C50 -71.1(10) . . . . ?
C46 C45 C51 C52 -124.6(9) . . . . ?
C44 C45 C51 C52 59.4(10) . . . . ?
C46 C45 C51 C53 115.8(9) . . . . ?
C44 C45 C51 C53 -60.2(10) . . . . ?
C46 C45 C51 C54 -4.6(11) . . . . ?
C44 C45 C51 C54 179.4(7) . . . . ?
C11 C10 C55 C56 -122.4(9) . . . . ?
C9 C10 C55 C56 67.4(11) . . . . ?
C11 C10 C55 C60 59.4(11) . . . . ?
C9 C10 C55 C60 -110.8(9) . . . . ?
C60 C55 C56 C57 0.5(15) . . . . ?
C10 C55 C56 C57 -177.8(10) . . . . ?
C55 C56 C57 C58 -0.4(17) . . . . ?
C55 C56 C57 C61 -170.7(12) . . . . ?
C55 C56 C57 C170 162.6(13) . . . . ?
C56 C57 C58 C59 -0.4(17) . . . . ?
C61 C57 C58 C59 171.0(11) . . . . ?
C170 C57 C58 C59 -158.8(16) . . . . ?
C57 C58 C59 C60 1.0(15) . . . . ?
C57 C58 C59 C65 179.5(10) . . . . ?
C58 C59 C60 C55 -0.9(13) . . . . ?
C65 C59 C60 C55 -179.4(8) . . . . ?
C56 C55 C60 C59 0.2(13) . . . . ?
C10 C55 C60 C59 178.5(8) . . . . ?
C56 C57 C61 C151 -120.1(15) . . . . ?
C58 C57 C61 C151 69.5(15) . . . . ?
C170 C57 C61 C151 -60(3) . . . . ?
C56 C57 C61 C153 118.4(16) . . . . ?
C58 C57 C61 C153 -52.0(16) . . . . ?
C170 C57 C61 C153 179(3) . . . . ?
C56 C57 C61 C152 -3.4(19) . . . . ?
C58 C57 C61 C152 -173.8(13) . . . . ?
C170 C57 C61 C152 57(3) . . . . ?
C58 C59 C65 C67 45.9(13) . . . . ?
C60 C59 C65 C67 -135.7(10) . . . . ?
C58 C59 C65 C68 166.1(10) . . . . ?
C60 C59 C65 C68 -15.4(13) . . . . ?
C58 C59 C65 C66 -73.4(12) . . . . ?
C60 C59 C65 C66 105.1(11) . . . . ?
C14 C15 C69 C74 -125.0(8) . . . . ?
C16 C15 C69 C74 61.6(10) . . . . ?
C14 C15 C69 C70 56.1(11) . . . . ?
C16 C15 C69 C70 -117.2(8) . . . . ?
C74 C69 C70 C71 3.0(11) . . . . ?
C15 C69 C70 C71 -178.1(7) . . . . ?
C69 C70 C71 C72 -4.7(12) . . . . ?
C69 C70 C71 C75 175.6(7) . . . . ?
C70 C71 C72 C73 2.5(12) . . . . ?
C75 C71 C72 C73 -177.8(8) . . . . ?
C71 C72 C73 C74 1.4(12) . . . . ?
C71 C72 C73 C79 -178.2(8) . . . . ?
C72 C73 C74 C69 -3.1(12) . . . . ?
C79 C73 C74 C69 176.5(7) . . . . ?
C70 C69 C74 C73 0.9(11) . . . . ?
C15 C69 C74 C73 -177.9(7) . . . . ?
C72 C71 C75 C76 -108.7(14) . . . . ?
C70 C71 C75 C76 71.0(15) . . . . ?
C72 C71 C75 C78 16.4(14) . . . . ?
C70 C71 C75 C78 -163.9(10) . . . . ?
C72 C71 C75 C77 131.2(10) . . . . ?
C70 C71 C75 C77 -49.1(12) . . . . ?
C72 C73 C79 C82 133.1(9) . . . . ?
C74 C73 C79 C82 -46.4(11) . . . . ?
C72 C73 C79 C81 12.1(12) . . . . ?
C74 C73 C79 C81 -167.4(8) . . . . ?
C72 C73 C79 C80 -107.7(10) . . . . ?
C74 C73 C79 C80 72.7(10) . . . . ?
C24 C25 C83 C88 -114.9(8) . . . . ?
C26 C25 C83 C88 66.8(9) . . . . ?
C24 C25 C83 C84 67.5(10) . . . . ?
C26 C25 C83 C84 -110.9(8) . . . . ?
C88 C83 C84 C85 -0.3(11) . . . . ?
C25 C83 C84 C85 177.3(6) . . . . ?
C83 C84 C85 C86 0.3(10) . . . . ?
C83 C84 C85 C89 -179.3(7) . . . . ?
C84 C85 C86 C87 0.5(10) . . . . ?
C89 C85 C86 C87 -179.9(7) . . . . ?
C85 C86 C87 C88 -1.3(11) . . . . ?
C85 C86 C87 C93 178.5(7) . . . . ?
C84 C83 C88 C87 -0.5(11) . . . . ?
C25 C83 C88 C87 -178.3(6) . . . . ?
C86 C87 C88 C83 1.3(11) . . . . ?
C93 C87 C88 C83 -178.5(6) . . . . ?
C84 C85 C89 C91 -134.4(10) . . . . ?
C86 C85 C89 C91 46.0(11) . . . . ?
C84 C85 C89 C92 106.5(9) . . . . ?
C86 C85 C89 C92 -73.1(10) . . . . ?
C84 C85 C89 C90 -11.7(11) . . . . ?
C86 C85 C89 C90 168.6(8) . . . . ?
C86 C87 C93 C96 -5.7(11) . . . . ?
C88 C87 C93 C96 174.1(7) . . . . ?
C86 C87 C93 C95 114.2(8) . . . . ?
C88 C87 C93 C95 -66.0(9) . . . . ?
C86 C87 C93 C94 -126.7(8) . . . . ?
C88 C87 C93 C94 53.1(9) . . . . ?
C31 C30 C97 C98 -114.3(8) . . . . ?
C29 C30 C97 C98 69.9(9) . . . . ?
C31 C30 C97 C102 66.1(10) . . . . ?
C29 C30 C97 C102 -109.7(8) . . . . ?
C102 C97 C98 C99 -1.3(11) . . . . ?
C30 C97 C98 C99 179.1(7) . . . . ?
C97 C98 C99 C100 -0.1(11) . . . . ?
C97 C98 C99 C103 -178.9(7) . . . . ?
C98 C99 C100 C101 0.0(11) . . . . ?
C103 C99 C100 C101 178.7(7) . . . . ?
C99 C100 C101 C102 1.5(12) . . . . ?
C99 C100 C101 C107 -178.9(7) . . . . ?
C100 C101 C102 C97 -2.9(11) . . . . ?
C107 C101 C102 C97 177.5(7) . . . . ?
C98 C97 C102 C101 2.8(11) . . . . ?
C30 C97 C102 C101 -177.6(7) . . . . ?
C98 C99 C103 C104 122.4(11) . . . . ?
C100 C99 C103 C104 -56.3(12) . . . . ?
C98 C99 C103 C148 -65.6(13) . . . . ?
C100 C99 C103 C148 115.6(12) . . . . ?
C98 C99 C103 C149 170.9(13) . . . . ?
C100 C99 C103 C149 -7.8(15) . . . . ?
C98 C99 C103 C106 -3.8(12) . . . . ?
C100 C99 C103 C106 177.5(10) . . . . ?
C98 C99 C103 C147 52.9(13) . . . . ?
C100 C99 C103 C147 -125.9(12) . . . . ?
C98 C99 C103 C105 -119.7(9) . . . . ?
C100 C99 C103 C105 61.6(11) . . . . ?
C102 C101 C107 C108 -4.5(15) . . . . ?
C100 C101 C107 C108 175.9(12) . . . . ?
C102 C101 C107 C110 118.0(9) . . . . ?
C100 C101 C107 C110 -61.6(11) . . . . ?
C102 C101 C107 C109 -123.5(10) . . . . ?
C100 C101 C107 C109 56.9(11) . . . . ?
C36 C35 C111 C116 69.5(10) . . . . ?
C34 C35 C111 C116 -116.7(8) . . . . ?
C36 C35 C111 C112 -114.0(8) . . . . ?
C34 C35 C111 C112 59.8(10) . . . . ?
C116 C111 C112 C113 3.3(11) . . . . ?
C35 C111 C112 C113 -173.3(7) . . . . ?
C111 C112 C113 C114 -3.5(12) . . . . ?
C111 C112 C113 C117 174.2(8) . . . . ?
C112 C113 C114 C115 1.7(13) . . . . ?
C117 C113 C114 C115 -175.8(9) . . . . ?
C113 C114 C115 C116 0.3(14) . . . . ?
C113 C114 C115 C121 177.3(9) . . . . ?
C112 C111 C116 C115 -1.2(12) . . . . ?
C35 C111 C116 C115 175.4(7) . . . . ?
C114 C115 C116 C111 -0.5(13) . . . . ?
C121 C115 C116 C111 -177.7(8) . . . . ?
C114 C113 C117 C118 -5.6(13) . . . . ?
C112 C113 C117 C118 176.9(8) . . . . ?
C114 C113 C117 C120 115.2(11) . . . . ?
C112 C113 C117 C120 -62.3(12) . . . . ?
C114 C113 C117 C119 -124.5(10) . . . . ?
C112 C113 C117 C119 58.0(11) . . . . ?
C114 C115 C121 C124 86.5(12) . . . . ?
C116 C115 C121 C124 -96.5(12) . . . . ?
C114 C115 C121 C122 -151.1(11) . . . . ?
C116 C115 C121 C122 25.9(13) . . . . ?
C114 C115 C121 C158 1(2) . . . . ?
C116 C115 C121 C158 178(2) . . . . ?
C114 C115 C121 C123 -29.7(13) . . . . ?
C116 C115 C121 C123 147.3(10) . . . . ?
C114 C115 C121 C157 -130.2(16) . . . . ?
C116 C115 C121 C157 46.7(17) . . . . ?
C114 C115 C121 C154 123.1(14) . . . . ?
C116 C115 C121 C154 -59.9(15) . . . . ?
C132 C125 C126 C127 -40.1(11) . . . . ?
C125 C126 C127 C128 93.1(10) . . . . ?
C125 C126 C127 Pt2 13.8(10) . . . . ?
C126 C127 C128 C129 -1.4(13) . . . . ?
Pt2 C127 C128 C129 98.3(8) . . . . ?
C126 C127 C128 Pt2 -99.8(8) . . . . ?
C127 C128 C129 C130 -40.9(12) . . . . ?
Pt2 C128 C129 C130 39.7(9) . . . . ?
C128 C129 C130 C131 -36.1(11) . . . . ?
C129 C130 C131 C132 94.0(11) . . . . ?
C129 C130 C131 Pt2 12.1(10) . . . . ?
C130 C131 C132 C125 -6.9(14) . . . . ?
Pt2 C131 C132 C125 96.0(8) . . . . ?
C130 C131 C132 Pt2 -103.0(8) . . . . ?
C126 C125 C132 C131 -35.8(12) . . . . ?
C126 C125 C132 Pt2 43.0(9) . . . . ?
C140 C133 C134 C135 -40.2(10) . . . . ?
C133 C134 C135 C136 -36.3(12) . . . . ?
C133 C134 C135 Pt1 43.9(8) . . . . ?
C134 C135 C136 C137 -5.1(13) . . . . ?
Pt1 C135 C136 C137 -101.9(8) . . . . ?
C134 C135 C136 Pt1 96.8(8) . . . . ?
C135 C136 C137 C138 92.0(10) . . . . ?
Pt1 C136 C137 C138 11.0(9) . . . . ?
C136 C137 C138 C139 -37.1(11) . . . . ?
C137 C138 C139 C140 -39.1(12) . . . . ?
C137 C138 C139 Pt1 42.0(8) . . . . ?
C138 C139 C140 C133 -3.8(13) . . . . ?
Pt1 C139 C140 C133 -101.3(7) . . . . ?
C138 C139 C140 Pt1 97.6(8) . . . . ?
C134 C133 C140 C139 93.5(10) . . . . ?
C134 C133 C140 Pt1 13.4(9) . . . . ?
C20 C1 N1 C4 165.8(7) . . . . ?
C2 C1 N1 C4 -3.2(8) . . . . ?
C20 C1 N1 Ni2 -10.4(10) . . . . ?
C2 C1 N1 Ni2 -179.4(5) . . . . ?
C5 C4 N1 C1 173.1(7) . . . . ?
C3 C4 N1 C1 -0.3(8) . . . . ?
C5 C4 N1 Ni2 -10.7(10) . . . . ?
C3 C4 N1 Ni2 175.9(5) . . . . ?
C5 C6 N2 C9 -170.4(7) . . . . ?
C7 C6 N2 C9 0.6(8) . . . . ?
C5 C6 N2 Ni2 10.4(11) . . . . ?
C7 C6 N2 Ni2 -178.6(5) . . . . ?
C10 C9 N2 C6 -171.7(7) . . . . ?
C8 C9 N2 C6 0.2(8) . . . . ?
C10 C9 N2 Ni2 7.5(11) . . . . ?
C8 C9 N2 Ni2 179.4(5) . . . . ?
C15 C14 N3 C11 176.0(8) . . . . ?
C13 C14 N3 C11 -0.5(9) . . . . ?
C15 C14 N3 Ni2 -4.1(11) . . . . ?
C13 C14 N3 Ni2 179.4(6) . . . . ?
C10 C11 N3 C14 170.0(7) . . . . ?
C12 C11 N3 C14 -1.7(9) . . . . ?
C10 C11 N3 Ni2 -10.0(11) . . . . ?
C12 C11 N3 Ni2 178.3(6) . . . . ?
C20 C19 N4 C16 -175.6(7) . . . . ?
C18 C19 N4 C16 -1.2(8) . . . . ?
C20 C19 N4 Ni2 0.7(10) . . . . ?
C18 C19 N4 Ni2 175.1(5) . . . . ?
C15 C16 N4 C19 -168.9(7) . . . . ?
C17 C16 N4 C19 3.4(8) . . . . ?
C15 C16 N4 Ni2 14.8(11) . . . . ?
C17 C16 N4 Ni2 -172.9(5) . . . . ?
C40 C21 N5 C24 169.0(7) . . . . ?
C22 C21 N5 C24 -2.1(8) . . . . ?
C40 C21 N5 Ni1 -5.3(10) . . . . ?
C22 C21 N5 Ni1 -176.5(5) . . . . ?
C25 C24 N5 C21 172.1(7) . . . . ?
C23 C24 N5 C21 -0.8(8) . . . . ?
C25 C24 N5 Ni1 -13.6(10) . . . . ?
C23 C24 N5 Ni1 173.4(5) . . . . ?
C30 C29 N6 C26 -171.1(7) . . . . ?
C28 C29 N6 C26 -0.7(8) . . . . ?
C30 C29 N6 Ni1 9.4(11) . . . . ?
C28 C29 N6 Ni1 179.8(5) . . . . ?
C25 C26 N6 C29 -170.2(7) . . . . ?
C27 C26 N6 C29 2.2(8) . . . . ?
C25 C26 N6 Ni1 9.3(11) . . . . ?
C27 C26 N6 Ni1 -178.3(5) . . . . ?
C35 C34 N7 C31 169.0(7) . . . . ?
C33 C34 N7 C31 -1.8(8) . . . . ?
C35 C34 N7 Ni1 -8.1(10) . . . . ?
C33 C34 N7 Ni1 -178.9(5) . . . . ?
C30 C31 N7 C34 172.5(7) . . . . ?
C32 C31 N7 C34 -0.2(8) . . . . ?
C30 C31 N7 Ni1 -10.4(10) . . . . ?
C32 C31 N7 Ni1 176.9(5) . . . . ?
C40 C39 N8 C36 -174.0(7) . . . . ?
C38 C39 N8 C36 -1.0(7) . . . . ?
C40 C39 N8 Ni1 7.0(10) . . . . ?
C38 C39 N8 Ni1 -179.9(5) . . . . ?
C35 C36 N8 C39 -169.5(7) . . . . ?
C37 C36 N8 C39 3.3(7) . . . . ?
C35 C36 N8 Ni1 9.4(10) . . . . ?
C37 C36 N8 Ni1 -177.8(5) . . . . ?
C37 C38 Pt1 C2 -88.1(7) . . . . ?
C39 C38 Pt1 C2 89.8(6) . . . . ?
C37 C38 Pt1 C135 108.3(7) . . . . ?
C39 C38 Pt1 C135 -73.8(6) . . . . ?
C37 C38 Pt1 C139 -0.6(13) . . . . ?
C39 C38 Pt1 C139 177.3(7) . . . . ?
C37 C38 Pt1 C136 73.1(7) . . . . ?
C39 C38 Pt1 C136 -109.0(6) . . . . ?
C37 C38 Pt1 C140 166.3(9) . . . . ?
C39 C38 Pt1 C140 -15.8(14) . . . . ?
C3 C2 Pt1 C38 78.2(7) . . . . ?
C1 C2 Pt1 C38 -103.5(6) . . . . ?
C3 C2 Pt1 C135 166.4(9) . . . . ?
C1 C2 Pt1 C135 -15.2(14) . . . . ?
C3 C2 Pt1 C139 -82.6(7) . . . . ?
C1 C2 Pt1 C139 95.8(6) . . . . ?
C3 C2 Pt1 C136 -20.0(13) . . . . ?
C1 C2 Pt1 C136 158.4(8) . . . . ?
C3 C2 Pt1 C140 -117.4(7) . . . . ?
C1 C2 Pt1 C140 61.0(6) . . . . ?
C136 C135 Pt1 C38 -95.7(5) . . . . ?
C134 C135 Pt1 C38 139.8(5) . . . . ?
C136 C135 Pt1 C2 176.4(9) . . . . ?
C134 C135 Pt1 C2 51.9(12) . . . . ?
C136 C135 Pt1 C139 66.0(5) . . . . ?
C134 C135 Pt1 C139 -58.5(6) . . . . ?
C134 C135 Pt1 C136 -124.5(8) . . . . ?
C136 C135 Pt1 C140 98.1(5) . . . . ?
C134 C135 Pt1 C140 -26.4(5) . . . . ?
C140 C139 Pt1 C38 173.7(8) . . . . ?
C138 C139 Pt1 C38 49.2(12) . . . . ?
C140 C139 Pt1 C2 -99.2(5) . . . . ?
C138 C139 Pt1 C2 136.3(6) . . . . ?
C140 C139 Pt1 C135 65.4(5) . . . . ?
C138 C139 Pt1 C135 -59.1(6) . . . . ?
C140 C139 Pt1 C136 97.8(5) . . . . ?
C138 C139 Pt1 C136 -26.7(6) . . . . ?
C138 C139 Pt1 C140 -124.5(8) . . . . ?
C135 C136 Pt1 C38 85.9(5) . . . . ?
C137 C136 Pt1 C38 -152.4(6) . . . . ?
C135 C136 Pt1 C2 -176.9(8) . . . . ?
C137 C136 Pt1 C2 -55.2(12) . . . . ?
C137 C136 Pt1 C135 121.7(8) . . . . ?
C135 C136 Pt1 C139 -112.8(5) . . . . ?
C137 C136 Pt1 C139 8.9(6) . . . . ?
C135 C136 Pt1 C140 -78.0(5) . . . . ?
C137 C136 Pt1 C140 43.7(6) . . . . ?
C139 C140 Pt1 C38 -172.5(9) . . . . ?
C133 C140 Pt1 C38 -51.8(13) . . . . ?
C139 C140 Pt1 C2 82.8(5) . . . . ?
C133 C140 Pt1 C2 -156.4(6) . . . . ?
C139 C140 Pt1 C135 -113.3(5) . . . . ?
C133 C140 Pt1 C135 7.4(6) . . . . ?
C133 C140 Pt1 C139 120.7(8) . . . . ?
C139 C140 Pt1 C136 -78.3(5) . . . . ?
C133 C140 Pt1 C136 42.4(6) . . . . ?
C17 C18 Pt2 C22 -90.4(7) . . . . ?
C19 C18 Pt2 C22 91.5(6) . . . . ?
C17 C18 Pt2 C128 -2.5(15) . . . . ?
C19 C18 Pt2 C128 179.4(9) . . . . ?
C17 C18 Pt2 C132 105.8(7) . . . . ?
C19 C18 Pt2 C132 -72.3(6) . . . . ?
C17 C18 Pt2 C131 70.3(7) . . . . ?
C19 C18 Pt2 C131 -107.8(6) . . . . ?
C17 C18 Pt2 C127 165.0(8) . . . . ?
C19 C18 Pt2 C127 -13.0(13) . . . . ?
C23 C22 Pt2 C18 83.0(7) . . . . ?
C21 C22 Pt2 C18 -100.8(7) . . . . ?
C23 C22 Pt2 C128 -80.2(7) . . . . ?
C21 C22 Pt2 C128 95.9(7) . . . . ?
C23 C22 Pt2 C132 169.7(9) . . . . ?
C21 C22 Pt2 C132 -14.1(15) . . . . ?
C23 C22 Pt2 C131 -20.5(13) . . . . ?
C21 C22 Pt2 C131 155.7(8) . . . . ?
C23 C22 Pt2 C127 -115.6(7) . . . . ?
C21 C22 Pt2 C127 60.6(7) . . . . ?
C127 C128 Pt2 C18 173.0(9) . . . . ?
C129 C128 Pt2 C18 50.3(13) . . . . ?
C127 C128 Pt2 C22 -99.0(5) . . . . ?
C129 C128 Pt2 C22 138.2(6) . . . . ?
C127 C128 Pt2 C132 65.7(6) . . . . ?
C129 C128 Pt2 C132 -57.1(6) . . . . ?
C127 C128 Pt2 C131 98.3(6) . . . . ?
C129 C128 Pt2 C131 -24.5(6) . . . . ?
C129 C128 Pt2 C127 -122.8(8) . . . . ?
C131 C132 Pt2 C18 -99.1(5) . . . . ?
C125 C132 Pt2 C18 137.1(6) . . . . ?
C131 C132 Pt2 C22 174.1(9) . . . . ?
C125 C132 Pt2 C22 50.3(13) . . . . ?
C131 C132 Pt2 C128 65.0(5) . . . . ?
C125 C132 Pt2 C128 -58.8(6) . . . . ?
C125 C132 Pt2 C131 -123.8(8) . . . . ?
C131 C132 Pt2 C127 97.5(5) . . . . ?
C125 C132 Pt2 C127 -26.3(6) . . . . ?
C132 C131 Pt2 C18 82.2(5) . . . . ?
C130 C131 Pt2 C18 -156.6(6) . . . . ?
C132 C131 Pt2 C22 -175.2(8) . . . . ?
C130 C131 Pt2 C22 -54.0(12) . . . . ?
C132 C131 Pt2 C128 -114.1(5) . . . . ?
C130 C131 Pt2 C128 7.1(6) . . . . ?
C130 C131 Pt2 C132 121.2(9) . . . . ?
C132 C131 Pt2 C127 -78.7(5) . . . . ?
C130 C131 Pt2 C127 42.4(7) . . . . ?
C128 C127 Pt2 C18 -173.9(8) . . . . ?
C126 C127 Pt2 C18 -53.1(12) . . . . ?
C128 C127 Pt2 C22 82.4(5) . . . . ?
C126 C127 Pt2 C22 -156.8(6) . . . . ?
C126 C127 Pt2 C128 120.8(9) . . . . ?
C128 C127 Pt2 C132 -113.5(6) . . . . ?
C126 C127 Pt2 C132 7.3(6) . . . . ?
C128 C127 Pt2 C131 -77.9(5) . . . . ?
C126 C127 Pt2 C131 42.9(6) . . . . ?
C29 N6 Ni1 N7 -19.5(6) . . . . ?
C26 N6 Ni1 N7 161.1(6) . . . . ?
C29 N6 Ni1 N8 79(45) . . . . ?
C26 N6 Ni1 N8 -101(45) . . . . ?
C29 N6 Ni1 N5 158.5(6) . . . . ?
C26 N6 Ni1 N5 -20.9(6) . . . . ?
C34 N7 Ni1 N6 -163.4(6) . . . . ?
C31 N7 Ni1 N6 20.1(6) . . . . ?
C34 N7 Ni1 N8 16.9(6) . . . . ?
C31 N7 Ni1 N8 -159.5(6) . . . . ?
C34 N7 Ni1 N5 136(6) . . . . ?
C31 N7 Ni1 N5 -40(6) . . . . ?
C39 N8 Ni1 N6 63(45) . . . . ?
C36 N8 Ni1 N6 -116(45) . . . . ?
C39 N8 Ni1 N7 161.1(6) . . . . ?
C36 N8 Ni1 N7 -17.6(6) . . . . ?
C39 N8 Ni1 N5 -16.9(6) . . . . ?
C36 N8 Ni1 N5 164.4(6) . . . . ?
C21 N5 Ni1 N6 -163.7(6) . . . . ?
C24 N5 Ni1 N6 23.3(6) . . . . ?
C21 N5 Ni1 N7 -103(6) . . . . ?
C24 N5 Ni1 N7 84(6) . . . . ?
C21 N5 Ni1 N8 16.0(6) . . . . ?
C24 N5 Ni1 N8 -157.1(6) . . . . ?
C6 N2 Ni2 N4 75(7) . . . . ?
C9 N2 Ni2 N4 -104(6) . . . . ?
C6 N2 Ni2 N3 161.5(6) . . . . ?
C9 N2 Ni2 N3 -17.5(6) . . . . ?
C6 N2 Ni2 N1 -21.1(6) . . . . ?
C9 N2 Ni2 N1 159.9(6) . . . . ?
C19 N4 Ni2 N2 -110(6) . . . . ?
C16 N4 Ni2 N2 65(7) . . . . ?
C19 N4 Ni2 N3 163.1(6) . . . . ?
C16 N4 Ni2 N3 -21.4(6) . . . . ?
C19 N4 Ni2 N1 -14.3(6) . . . . ?
C16 N4 Ni2 N1 161.2(6) . . . . ?
C14 N3 Ni2 N2 -161.4(7) . . . . ?
C11 N3 Ni2 N2 18.6(7) . . . . ?
C14 N3 Ni2 N4 16.4(7) . . . . ?
C11 N3 Ni2 N4 -163.7(6) . . . . ?
C14 N3 Ni2 N1 105(6) . . . . ?
C11 N3 Ni2 N1 -75(6) . . . . ?
C1 N1 Ni2 N2 -163.3(6) . . . . ?
C4 N1 Ni2 N2 21.4(6) . . . . ?
C1 N1 Ni2 N4 19.0(6) . . . . ?
C4 N1 Ni2 N4 -156.3(6) . . . . ?
C1 N1 Ni2 N3 -69(6) . . . . ?
C4 N1 Ni2 N3 115(6) . . . . ?
C56 C57 C170 C172 -169.8(18) . . . . ?
C58 C57 C170 C172 -10(3) . . . . ?
C61 C57 C170 C172 58(3) . . . . ?
C56 C57 C170 C171 78.6(18) . . . . ?
C58 C57 C170 C171 -121.8(19) . . . . ?
C61 C57 C170 C171 -54(3) . . . . ?
C56 C57 C170 C169 -41(3) . . . . ?
C58 C57 C170 C169 119(2) . . . . ?
C61 C57 C170 C169 -173(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        66.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         2.302
_refine_diff_density_min         -2.170
_refine_diff_density_rms         0.174
####################################################################### 
# 
# 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_40702j4
_database_code_depnum_ccdc_archive 'CCDC 1406332'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;       
2-2 Pt(II)(PPh3)2-bridged 18-18 directlylinked Ni(II) diporphyrin
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'C160 H170 N8 Ni2 P2 Pt, 4(C H Cl3), 0.8(C O), 0.2(O) '
_chemical_formula_sum            'C164.80 H174 Cl12 N8 Ni2 O P2 Pt'
_chemical_formula_weight         3082.57

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 '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'
P P 0.2955 0.4335 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c '
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15

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

_cell_length_a                   64.086(14)
_cell_length_b                   12.967(3)
_cell_length_c                   40.547(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.600(5)
_cell_angle_gamma                90.00
_cell_volume                     32884(12)
_cell_formula_units_Z            8
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      6.5
_cell_measurement_theta_max      68.3

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             12758
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3763
_exptl_absorpt_correction_T_max  0.8846
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            91610
_diffrn_reflns_av_R_equivalents  0.1085
_diffrn_reflns_av_sigmaI/netI    0.0966
_diffrn_reflns_limit_h_min       -74
_diffrn_reflns_limit_h_max       74
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_theta_min         6.69
_diffrn_reflns_theta_max         64.00
_reflns_number_total             26569
_reflns_number_gt                21151
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1650P)²+226.4370P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         26569
_refine_ls_number_parameters     1808
_refine_ls_number_restraints     122
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0947
_refine_ls_wR_factor_ref         0.2710
_refine_ls_wR_factor_gt          0.2538
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_restrained_S_all      1.024
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.39753(11) 0.0587(6) 0.35972(18) 0.0337(15) Uani 1 1 d . . .
C2 C 0.39286(11) -0.0020(7) 0.32876(19) 0.0378(17) Uani 1 1 d . . .
C3 C 0.41198(11) -0.0412(6) 0.32618(18) 0.0316(15) Uani 1 1 d . . .
H1 H 0.4143 -0.0873 0.3091 0.038 Uiso 1 1 calc R . .
C4 C 0.42815(11) -0.0018(6) 0.35337(18) 0.0315(14) Uani 1 1 d . . .
C5 C 0.44995(11) -0.0106(6) 0.35589(18) 0.0323(15) Uani 1 1 d . . .
C6 C 0.46460(11) 0.0431(6) 0.3811(2) 0.0368(16) Uani 1 1 d . . .
C7 C 0.48677(12) 0.0605(8) 0.3806(2) 0.0463(19) Uani 1 1 d . . .
H2 H 0.4943 0.0323 0.3650 0.056 Uiso 1 1 calc R . .
C8 C 0.49478(12) 0.1241(7) 0.4065(2) 0.0448(19) Uani 1 1 d . . .
H3 H 0.5089 0.1517 0.4120 0.054 Uiso 1 1 calc R . .
C9 C 0.47806(11) 0.1426(6) 0.42441(19) 0.0379(16) Uani 1 1 d . . .
C10 C 0.48110(11) 0.1894(6) 0.45590(19) 0.0366(16) Uani 1 1 d . . .
C11 C 0.46599(11) 0.1796(6) 0.47561(19) 0.0386(16) Uani 1 1 d . . .
C12 C 0.46992(11) 0.1992(7) 0.5110(2) 0.0441(19) Uani 1 1 d . . .
H4 H 0.4824 0.2303 0.5243 0.053 Uiso 1 1 calc R . .
C13 C 0.45270(12) 0.1655(7) 0.5224(2) 0.0447(19) Uani 1 1 d . . .
H5 H 0.4513 0.1633 0.5452 0.054 Uiso 1 1 calc R . .
C14 C 0.43699(11) 0.1338(6) 0.49307(18) 0.0375(16) Uani 1 1 d . . .
C15 C 0.41598(11) 0.1085(6) 0.49296(18) 0.0368(16) Uani 1 1 d . . .
C16 C 0.40028(12) 0.1019(6) 0.46355(19) 0.0393(17) Uani 1 1 d . . .
C17 C 0.37791(11) 0.1023(6) 0.46130(19) 0.0402(17) Uani 1 1 d . . .
H6 H 0.3712 0.0973 0.4799 0.048 Uiso 1 1 calc R . .
C18 C 0.36768(11) 0.1110(6) 0.42864(18) 0.0385(17) Uani 1 1 d . . .
C19 C 0.38457(10) 0.1104(6) 0.40929(18) 0.0353(16) Uani 1 1 d . . .
C20 C 0.38183(10) 0.1002(6) 0.37516(17) 0.0322(15) Uani 1 1 d . . .
H7 H 0.3687 0.1221 0.3612 0.039 Uiso 1 1 calc R . .
C21 C 0.32016(10) -0.0041(6) 0.33370(17) 0.0298(14) Uani 1 1 d . . .
C22 C 0.32798(10) -0.0278(5) 0.30293(16) 0.0245(13) Uani 1 1 d . . .
C23 C 0.30990(10) -0.0117(5) 0.27793(19) 0.0305(15) Uani 1 1 d . . .
H8 H 0.3094 -0.0160 0.2544 0.037 Uiso 1 1 calc R . .
C24 C 0.29196(11) 0.0125(5) 0.29257(17) 0.0284(14) Uani 1 1 d . . .
C25 C 0.27065(11) 0.0222(6) 0.27545(19) 0.0328(16) Uani 1 1 d . . .
C26 C 0.25448(11) 0.0218(6) 0.29328(19) 0.0329(16) Uani 1 1 d . . .
C27 C 0.23287(11) -0.0030(6) 0.2778(2) 0.0385(17) Uani 1 1 d . . .
H9 H 0.2269 -0.0065 0.2542 0.046 Uiso 1 1 calc R . .
C28 C 0.22247(11) -0.0207(6) 0.3032(2) 0.0381(17) Uani 1 1 d . . .
H10 H 0.2081 -0.0431 0.3006 0.046 Uiso 1 1 calc R . .
C29 C 0.23728(11) 0.0009(6) 0.3347(2) 0.0353(16) Uani 1 1 d . . .
C30 C 0.23207(11) 0.0062(6) 0.36555(19) 0.0342(15) Uani 1 1 d . . .
C31 C 0.24578(11) 0.0549(6) 0.39295(17) 0.0319(15) Uani 1 1 d . . .
C32 C 0.23927(12) 0.0920(7) 0.4229(2) 0.0439(19) Uani 1 1 d . . .
H11 H 0.2263 0.0767 0.4296 0.053 Uiso 1 1 calc R . .
C33 C 0.25535(12) 0.1531(6) 0.43952(19) 0.0402(17) Uani 1 1 d . . .
H12 H 0.2555 0.1905 0.4597 0.048 Uiso 1 1 calc R . .
C34 C 0.27210(11) 0.1508(6) 0.42091(19) 0.0383(16) Uani 1 1 d . . .
C35 C 0.29280(11) 0.1886(6) 0.43311(18) 0.0372(16) Uani 1 1 d . . .
C36 C 0.30975(11) 0.1568(6) 0.41973(19) 0.0395(17) Uani 1 1 d . . .
C37 C 0.33194(12) 0.1748(7) 0.4353(2) 0.0419(18) Uani 1 1 d . . .
H13 H 0.3372 0.2185 0.4540 0.050 Uiso 1 1 calc R . .
C38 C 0.34402(11) 0.1171(6) 0.41786(18) 0.0372(16) Uani 1 1 d . . .
C39 C 0.32901(10) 0.0703(6) 0.39036(17) 0.0339(15) Uani 1 1 d . . .
C40 C 0.33395(11) 0.0122(6) 0.36478(18) 0.0329(15) Uani 1 1 d . . .
H14 H 0.3477 -0.0188 0.3686 0.039 Uiso 1 1 calc R . .
C41 C 0.45824(10) -0.0686(6) 0.32999(18) 0.0365(16) Uani 1 1 d . . .
C42 C 0.45262(11) -0.0413(6) 0.2958(2) 0.0386(17) Uani 1 1 d . . .
H15 H 0.4436 0.0169 0.2894 0.046 Uiso 1 1 calc R . .
C43 C 0.45951(11) -0.0947(7) 0.27138(19) 0.0413(18) Uani 1 1 d . . .
C44 C 0.47283(11) -0.1820(7) 0.2813(2) 0.0430(18) Uani 1 1 d . . .
H16 H 0.4776 -0.2213 0.2646 0.052 Uiso 1 1 calc R . .
C45 C 0.47901(11) -0.2105(6) 0.3151(2) 0.0402(17) Uani 1 1 d . . .
C46 C 0.47155(11) -0.1544(7) 0.33898(19) 0.0393(17) Uani 1 1 d . . .
H17 H 0.4755 -0.1744 0.3620 0.047 Uiso 1 1 calc R . .
C47 C 0.45306(14) -0.0631(9) 0.2337(2) 0.058(2) Uani 1 1 d . . .
C48 C 0.4349(3) 0.003(2) 0.2265(4) 0.208(15) Uani 1 1 d . . .
H68 H 0.4354 0.0502 0.2456 0.312 Uiso 1 1 calc R . .
H69 H 0.4219 -0.0383 0.2230 0.312 Uiso 1 1 calc R . .
H70 H 0.4351 0.0432 0.2061 0.312 Uiso 1 1 calc R . .
C49 C 0.4716(3) -0.0447(18) 0.2194(4) 0.157(10) Uani 1 1 d . . .
H71 H 0.4687 -0.0692 0.1960 0.235 Uiso 1 1 calc R . .
H72 H 0.4839 -0.0818 0.2327 0.235 Uiso 1 1 calc R . .
H73 H 0.4747 0.0293 0.2199 0.235 Uiso 1 1 calc R . .
C50 C 0.4432(3) -0.1645(16) 0.2142(4) 0.123(6) Uani 1 1 d . . .
H74 H 0.4293 -0.1794 0.2197 0.185 Uiso 1 1 calc R . .
H75 H 0.4529 -0.2227 0.2211 0.185 Uiso 1 1 calc R . .
H76 H 0.4412 -0.1538 0.1898 0.185 Uiso 1 1 calc R . .
C51 C 0.49430(12) -0.3022(7) 0.3265(2) 0.0436(18) Uani 1 1 d . . .
C52 C 0.51424(12) -0.2616(8) 0.3513(2) 0.055(2) Uani 1 1 d . . .
H77 H 0.5099 -0.2245 0.3697 0.082 Uiso 1 1 calc R . .
H78 H 0.5221 -0.2147 0.3394 0.082 Uiso 1 1 calc R . .
H79 H 0.5235 -0.3197 0.3605 0.082 Uiso 1 1 calc R . .
C53 C 0.50120(15) -0.3568(8) 0.2974(2) 0.057(2) Uani 1 1 d . . .
H80 H 0.5112 -0.4122 0.3063 0.086 Uiso 1 1 calc R . .
H81 H 0.5082 -0.3072 0.2850 0.086 Uiso 1 1 calc R . .
H82 H 0.4886 -0.3860 0.2820 0.086 Uiso 1 1 calc R . .
C54 C 0.48292(13) -0.3826(7) 0.3448(2) 0.050(2) Uani 1 1 d . . .
H83 H 0.4708 -0.4126 0.3287 0.075 Uiso 1 1 calc R . .
H84 H 0.4777 -0.3486 0.3631 0.075 Uiso 1 1 calc R . .
H85 H 0.4930 -0.4372 0.3543 0.075 Uiso 1 1 calc R . .
C55 C 0.50172(11) 0.2456(6) 0.46901(19) 0.0398(17) Uani 1 1 d . . .
C56 C 0.51632(11) 0.2125(6) 0.49794(19) 0.0380(16) Uani 1 1 d . . .
H18 H 0.5136 0.1510 0.5090 0.046 Uiso 1 1 calc R . .
C57 C 0.53479(11) 0.2692(6) 0.51052(19) 0.0392(17) Uani 1 1 d . . .
C58 C 0.53890(12) 0.3549(6) 0.4931(2) 0.0424(17) Uani 1 1 d . . .
H19 H 0.5517 0.3924 0.5013 0.051 Uiso 1 1 calc R . .
C59 C 0.52487(13) 0.3891(7) 0.4636(2) 0.0465(19) Uani 1 1 d . . .
C60 C 0.50628(12) 0.3317(6) 0.4517(2) 0.0434(18) Uani 1 1 d . . .
H20 H 0.4966 0.3521 0.4315 0.052 Uiso 1 1 calc R . .
C61 C 0.55056(12) 0.2325(7) 0.5429(2) 0.0438(18) Uani 1 1 d . . .
C62 C 0.57017(16) 0.3010(8) 0.5526(3) 0.068(3) Uani 1 1 d . . .
H86 H 0.5659 0.3690 0.5593 0.103 Uiso 1 1 calc R . .
H87 H 0.5769 0.3084 0.5332 0.103 Uiso 1 1 calc R . .
H88 H 0.5804 0.2697 0.5715 0.103 Uiso 1 1 calc R . .
C63 C 0.55840(15) 0.1238(8) 0.5364(3) 0.069(3) Uani 1 1 d . . .
H89 H 0.5651 0.1256 0.5169 0.103 Uiso 1 1 calc R . .
H90 H 0.5462 0.0762 0.5319 0.103 Uiso 1 1 calc R . .
H91 H 0.5689 0.1004 0.5564 0.103 Uiso 1 1 calc R . .
C64 C 0.53904(17) 0.2319(13) 0.5721(3) 0.089(4) Uani 1 1 d . . .
H92 H 0.5488 0.2069 0.5926 0.133 Uiso 1 1 calc R . .
H93 H 0.5266 0.1864 0.5665 0.133 Uiso 1 1 calc R . .
H94 H 0.5344 0.3020 0.5759 0.133 Uiso 1 1 calc R . .
C65 C 0.52908(16) 0.4837(8) 0.4432(3) 0.061(3) Uani 1 1 d . . .
C66 C 0.51054(15) 0.5606(7) 0.4413(3) 0.063(3) Uani 1 1 d . . .
H95 H 0.4976 0.5330 0.4264 0.095 Uiso 1 1 calc R . .
H96 H 0.5143 0.6265 0.4322 0.095 Uiso 1 1 calc R . .
H97 H 0.5079 0.5714 0.4639 0.095 Uiso 1 1 calc R . .
C67 C 0.55015(17) 0.5413(9) 0.4605(3) 0.072(3) Uani 1 1 d . . .
H98 H 0.5496 0.5591 0.4837 0.108 Uiso 1 1 calc R . .
H99 H 0.5516 0.6044 0.4478 0.108 Uiso 1 1 calc R . .
H100 H 0.5625 0.4964 0.4606 0.108 Uiso 1 1 calc R . .
C68 C 0.53115(19) 0.4478(9) 0.4076(3) 0.071(3) Uani 1 1 d . . .
H101 H 0.5426 0.3966 0.4098 0.106 Uiso 1 1 calc R . .
H102 H 0.5345 0.5072 0.3947 0.106 Uiso 1 1 calc R . .
H103 H 0.5176 0.4169 0.3957 0.106 Uiso 1 1 calc R . .
C69 C 0.40994(11) 0.0930(7) 0.52621(19) 0.0411(18) Uani 1 1 d . . .
C70 C 0.40519(17) -0.0089(8) 0.5350(3) 0.057(2) Uani 1 1 d . . .
H21 H 0.4059 -0.0635 0.5197 0.068 Uiso 1 1 calc R . .
C71 C 0.3997(2) -0.0303(8) 0.5647(3) 0.069(3) Uani 1 1 d . . .
C72 C 0.39938(15) 0.0534(9) 0.5873(2) 0.058(2) Uani 1 1 d . . .
H22 H 0.3961 0.0396 0.6086 0.070 Uiso 1 1 calc R . .
C73 C 0.40384(12) 0.1560(8) 0.57936(19) 0.046(2) Uani 1 1 d . . .
C74 C 0.40883(11) 0.1732(7) 0.54800(18) 0.0409(17) Uani 1 1 d . . .
H23 H 0.4115 0.2416 0.5416 0.049 Uiso 1 1 calc R . .
C75 C 0.40467(15) 0.2459(9) 0.6046(2) 0.058(2) Uani 1 1 d . . .
C76 C 0.3944(2) 0.3423(9) 0.5864(3) 0.077(3) Uani 1 1 d . . .
H104 H 0.4020 0.3617 0.5688 0.116 Uiso 1 1 calc R . .
H105 H 0.3953 0.3989 0.6027 0.116 Uiso 1 1 calc R . .
H106 H 0.3794 0.3284 0.5762 0.116 Uiso 1 1 calc R . .
C77 C 0.42842(16) 0.2659(11) 0.6201(3) 0.075(3) Uani 1 1 d . . .
H107 H 0.4359 0.2830 0.6021 0.113 Uiso 1 1 calc R . .
H108 H 0.4348 0.2040 0.6320 0.113 Uiso 1 1 calc R . .
H109 H 0.4297 0.3235 0.6361 0.113 Uiso 1 1 calc R . .
C78 C 0.39314(17) 0.2188(10) 0.6325(2) 0.071(3) Uani 1 1 d . . .
H110 H 0.3935 0.2782 0.6475 0.106 Uiso 1 1 calc R . .
H111 H 0.4003 0.1601 0.6455 0.106 Uiso 1 1 calc R . .
H112 H 0.3783 0.2006 0.6225 0.106 Uiso 1 1 calc R . .
C79 C 0.3944(3) -0.1410(11) 0.5724(4) 0.099(5) Uani 1 1 d . . .
C80 C 0.4117(3) -0.2134(11) 0.5664(4) 0.106(5) Uani 1 1 d . . .
H113 H 0.4257 -0.1885 0.5787 0.159 Uiso 1 1 calc R . .
H114 H 0.4115 -0.2161 0.5422 0.159 Uiso 1 1 calc R . .
H115 H 0.4092 -0.2826 0.5744 0.159 Uiso 1 1 calc R . .
C81 C 0.3877(3) -0.1547(12) 0.6030(4) 0.120(6) Uani 1 1 d . . .
H116 H 0.3848 -0.2279 0.6060 0.180 Uiso 1 1 calc R . .
H117 H 0.3746 -0.1147 0.6023 0.180 Uiso 1 1 calc R . .
H118 H 0.3989 -0.1310 0.6219 0.180 Uiso 1 1 calc R . .
C82 C 0.3729(3) -0.1756(15) 0.5439(4) 0.127(7) Uani 1 1 d . . .
H119 H 0.3705 -0.2499 0.5457 0.191 Uiso 1 1 calc R . .
H120 H 0.3750 -0.1593 0.5213 0.191 Uiso 1 1 calc R . .
H121 H 0.3604 -0.1380 0.5480 0.191 Uiso 1 1 calc R . .
C83 C 0.26476(11) 0.0238(5) 0.23817(18) 0.0310(15) Uani 1 1 d . . .
C84 C 0.27065(11) -0.0545(6) 0.21900(18) 0.0333(15) Uani 1 1 d . . .
H24 H 0.2791 -0.1099 0.2301 0.040 Uiso 1 1 calc R . .
C85 C 0.26459(11) -0.0549(6) 0.18373(19) 0.0359(15) Uani 1 1 d . . .
C86 C 0.25188(12) 0.0265(6) 0.16813(19) 0.0371(17) Uani 1 1 d . . .
H25 H 0.2479 0.0286 0.1442 0.044 Uiso 1 1 calc R . .
C87 C 0.24491(10) 0.1048(6) 0.18674(18) 0.0345(15) Uani 1 1 d . . .
C88 C 0.25148(10) 0.1023(6) 0.22176(17) 0.0319(15) Uani 1 1 d . . .
H26 H 0.2468 0.1549 0.2348 0.038 Uiso 1 1 calc R . .
C89 C 0.27131(14) -0.1429(6) 0.1637(2) 0.0469(19) Uani 1 1 d . . .
C90 C 0.26256(19) -0.2431(8) 0.1744(3) 0.071(3) Uani 1 1 d . . .
H122 H 0.2687 -0.2557 0.1984 0.107 Uiso 1 1 calc R . .
H123 H 0.2663 -0.3000 0.1609 0.107 Uiso 1 1 calc R . .
H124 H 0.2470 -0.2383 0.1709 0.107 Uiso 1 1 calc R . .
C91 C 0.26313(18) -0.1307(9) 0.1251(2) 0.069(3) Uani 1 1 d . . .
H125 H 0.2475 -0.1276 0.1198 0.103 Uiso 1 1 calc R . .
H126 H 0.2678 -0.1898 0.1135 0.103 Uiso 1 1 calc R . .
H127 H 0.2689 -0.0670 0.1176 0.103 Uiso 1 1 calc R . .
C92 C 0.29609(15) -0.1489(8) 0.1712(2) 0.059(2) Uani 1 1 d . . .
H128 H 0.3018 -0.0860 0.1631 0.089 Uiso 1 1 calc R . .
H129 H 0.3005 -0.2089 0.1597 0.089 Uiso 1 1 calc R . .
H130 H 0.3016 -0.1555 0.1956 0.089 Uiso 1 1 calc R . .
C93 C 0.23069(12) 0.1926(7) 0.16839(19) 0.0419(17) Uani 1 1 d . . .
C94 C 0.24378(14) 0.2530(7) 0.1472(2) 0.053(2) Uani 1 1 d . . .
H131 H 0.2486 0.2059 0.1315 0.079 Uiso 1 1 calc R . .
H132 H 0.2562 0.2844 0.1623 0.079 Uiso 1 1 calc R . .
H133 H 0.2349 0.3071 0.1344 0.079 Uiso 1 1 calc R . .
C95 C 0.21064(12) 0.1473(7) 0.1454(2) 0.051(2) Uani 1 1 d . . .
H134 H 0.2029 0.1055 0.1589 0.077 Uiso 1 1 calc R . .
H135 H 0.2148 0.1041 0.1281 0.077 Uiso 1 1 calc R . .
H136 H 0.2014 0.2035 0.1345 0.077 Uiso 1 1 calc R . .
C96 C 0.22356(16) 0.2680(8) 0.1927(2) 0.057(2) Uani 1 1 d . . .
H137 H 0.2140 0.3198 0.1798 0.086 Uiso 1 1 calc R . .
H138 H 0.2361 0.3022 0.2065 0.086 Uiso 1 1 calc R . .
H139 H 0.2160 0.2303 0.2075 0.086 Uiso 1 1 calc R . .
C97 C 0.21110(12) -0.0385(6) 0.3690(2) 0.0376(17) Uani 1 1 d . . .
C98 C 0.19183(13) 0.0068(7) 0.3528(2) 0.0429(18) Uani 1 1 d . . .
H27 H 0.1918 0.0733 0.3429 0.051 Uiso 1 1 calc R . .
C99 C 0.17239(12) -0.0461(7) 0.3511(2) 0.0436(19) Uani 1 1 d . . .
C100 C 0.17356(13) -0.1427(7) 0.3670(2) 0.050(2) Uani 1 1 d . . .
H28 H 0.1606 -0.1788 0.3664 0.060 Uiso 1 1 calc R . .
C101 C 0.19216(13) -0.1882(7) 0.3834(2) 0.051(2) Uani 1 1 d . . .
C102 C 0.21125(13) -0.1331(6) 0.38471(19) 0.0418(17) Uani 1 1 d . . .
H29 H 0.2244 -0.1614 0.3966 0.050 Uiso 1 1 calc R . .
C103 C 0.15115(14) -0.0056(7) 0.3313(2) 0.051(2) Uani 1 1 d . . .
C104 C 0.14361(18) -0.0717(10) 0.2993(3) 0.079(3) Uani 1 1 d . . .
H140 H 0.1540 -0.0663 0.2849 0.118 Uiso 1 1 calc R . .
H141 H 0.1297 -0.0469 0.2869 0.118 Uiso 1 1 calc R . .
H142 H 0.1424 -0.1438 0.3058 0.118 Uiso 1 1 calc R . .
C105 C 0.15237(14) 0.1070(8) 0.3191(3) 0.063(3) Uani 1 1 d . . .
H143 H 0.1558 0.1531 0.3387 0.094 Uiso 1 1 calc R . .
H144 H 0.1386 0.1267 0.3047 0.094 Uiso 1 1 calc R . .
H145 H 0.1635 0.1124 0.3061 0.094 Uiso 1 1 calc R . .
C106 C 0.13413(17) -0.0093(10) 0.3526(4) 0.084(4) Uani 1 1 d . . .
H146 H 0.1337 -0.0787 0.3621 0.126 Uiso 1 1 calc R . .
H147 H 0.1201 0.0073 0.3384 0.126 Uiso 1 1 calc R . .
H148 H 0.1377 0.0409 0.3710 0.126 Uiso 1 1 calc R . .
C107 C 0.19237(16) -0.2976(8) 0.3973(3) 0.060(2) Uani 1 1 d . . .
C108 C 0.1862(2) -0.3727(9) 0.3667(4) 0.095(4) Uani 1 1 d . . .
H149 H 0.1720 -0.3543 0.3534 0.142 Uiso 1 1 calc R . .
H150 H 0.1859 -0.4435 0.3750 0.142 Uiso 1 1 calc R . .
H151 H 0.1967 -0.3674 0.3526 0.142 Uiso 1 1 calc R . .
C109 C 0.21447(17) -0.3309(8) 0.4185(3) 0.066(3) Uani 1 1 d . . .
H152 H 0.2250 -0.3300 0.4042 0.099 Uiso 1 1 calc R . .
H153 H 0.2135 -0.4007 0.4272 0.099 Uiso 1 1 calc R . .
H154 H 0.2189 -0.2830 0.4374 0.099 Uiso 1 1 calc R . .
C110 C 0.1764(2) -0.3067(11) 0.4198(4) 0.091(4) Uani 1 1 d . . .
H155 H 0.1787 -0.2505 0.4363 0.136 Uiso 1 1 calc R . .
H156 H 0.1784 -0.3731 0.4317 0.136 Uiso 1 1 calc R . .
H157 H 0.1618 -0.3026 0.4059 0.136 Uiso 1 1 calc R . .
C111 C 0.29691(12) 0.2555(6) 0.4642(2) 0.0409(17) Uani 1 1 d . . .
C112 C 0.30578(12) 0.2115(7) 0.49529(19) 0.0418(17) Uani 1 1 d . . .
H30 H 0.3086 0.1396 0.4967 0.050 Uiso 1 1 calc R . .
C113 C 0.31059(11) 0.2717(7) 0.52463(18) 0.0413(18) Uani 1 1 d . . .
C114 C 0.30614(15) 0.3752(7) 0.5215(2) 0.055(2) Uani 1 1 d . . .
H31 H 0.3096 0.4180 0.5409 0.066 Uiso 1 1 calc R . .
C115 C 0.29649(19) 0.4201(8) 0.4898(3) 0.065(3) Uani 1 1 d . . .
C116 C 0.29223(17) 0.3588(8) 0.4618(2) 0.061(2) Uani 1 1 d . . .
H32 H 0.2860 0.3880 0.4405 0.073 Uiso 1 1 calc R . .
C117 C 0.31966(18) 0.2193(10) 0.5583(2) 0.072(3) Uani 1 1 d . . .
C118 C 0.3024(2) 0.1479(11) 0.5672(3) 0.093(4) Uani 1 1 d . . .
H158 H 0.2897 0.1888 0.5686 0.139 Uiso 1 1 calc R . .
H159 H 0.3080 0.1145 0.5890 0.139 Uiso 1 1 calc R . .
H160 H 0.2984 0.0952 0.5496 0.139 Uiso 1 1 calc R . .
C119 C 0.3392(2) 0.1531(11) 0.5556(3) 0.093(4) Uani 1 1 d . . .
H161 H 0.3354 0.1070 0.5361 0.139 Uiso 1 1 calc R . .
H162 H 0.3436 0.1120 0.5763 0.139 Uiso 1 1 calc R . .
H163 H 0.3510 0.1981 0.5529 0.139 Uiso 1 1 calc R . .
C120 C 0.3265(2) 0.2949(12) 0.5874(3) 0.097(4) Uani 1 1 d . . .
H164 H 0.3365 0.3453 0.5815 0.146 Uiso 1 1 calc R . .
H165 H 0.3335 0.2571 0.6078 0.146 Uiso 1 1 calc R . .
H166 H 0.3139 0.3308 0.5917 0.146 Uiso 1 1 calc R . .
C121 C 0.2913(3) 0.5373(10) 0.4869(4) 0.119(6) Uani 1 1 d DU . .
C122 C 0.3109(3) 0.5963(15) 0.4825(6) 0.197(10) Uani 1 1 d DU . .
H167 H 0.3156 0.5705 0.4625 0.295 Uiso 1 1 calc R . .
H168 H 0.3225 0.5866 0.5026 0.295 Uiso 1 1 calc R . .
H169 H 0.3075 0.6698 0.4796 0.295 Uiso 1 1 calc R . .
C123 C 0.2740(4) 0.5649(17) 0.4560(5) 0.219(12) Uani 1 1 d DU . .
H170 H 0.2779 0.5369 0.4357 0.328 Uiso 1 1 calc R . .
H171 H 0.2727 0.6400 0.4540 0.328 Uiso 1 1 calc R . .
H172 H 0.2603 0.5354 0.4583 0.328 Uiso 1 1 calc R . .
C124 C 0.2848(4) 0.5799(12) 0.5169(4) 0.169(9) Uani 1 1 d DU . .
H173 H 0.2723 0.5423 0.5209 0.253 Uiso 1 1 calc R . .
H174 H 0.2812 0.6530 0.5132 0.253 Uiso 1 1 calc R . .
H175 H 0.2967 0.5727 0.5367 0.253 Uiso 1 1 calc R . .
C125 C 0.36493(11) -0.2029(6) 0.37077(18) 0.0347(15) Uani 1 1 d . . .
C126 C 0.34695(13) -0.2382(8) 0.3817(2) 0.050(2) Uani 1 1 d . . .
H33 H 0.3352 -0.2671 0.3660 0.060 Uiso 1 1 calc R . .
C127 C 0.34640(16) -0.2305(10) 0.4157(3) 0.068(3) Uani 1 1 d . . .
H34 H 0.3343 -0.2555 0.4233 0.081 Uiso 1 1 calc R . .
C128 C 0.36319(15) -0.1871(9) 0.4384(2) 0.063(3) Uani 1 1 d . . .
H35 H 0.3626 -0.1810 0.4616 0.076 Uiso 1 1 calc R . .
C129 C 0.38079(14) -0.1525(7) 0.4276(2) 0.050(2) Uani 1 1 d . . .
H36 H 0.3925 -0.1240 0.4435 0.060 Uiso 1 1 calc R . .
C130 C 0.38168(12) -0.1585(6) 0.3941(2) 0.0411(17) Uani 1 1 d . . .
H37 H 0.3938 -0.1323 0.3868 0.049 Uiso 1 1 calc R . .
C131 C 0.38825(11) -0.2539(6) 0.31781(19) 0.0354(16) Uani 1 1 d . . .
C132 C 0.40371(12) -0.3039(7) 0.3421(2) 0.0448(18) Uani 1 1 d . . .
H38 H 0.4021 -0.3093 0.3647 0.054 Uiso 1 1 calc R . .
C133 C 0.42153(12) -0.3459(7) 0.3327(3) 0.055(2) Uani 1 1 d . . .
H39 H 0.4323 -0.3779 0.3494 0.066 Uiso 1 1 calc R . .
C134 C 0.42389(13) -0.3421(7) 0.3001(3) 0.055(2) Uani 1 1 d . . .
H40 H 0.4362 -0.3714 0.2943 0.066 Uiso 1 1 calc R . .
C135 C 0.40825(13) -0.2951(7) 0.2752(2) 0.054(2) Uani 1 1 d . . .
H41 H 0.4096 -0.2934 0.2524 0.064 Uiso 1 1 calc R . .
C136 C 0.39066(12) -0.2511(7) 0.2846(2) 0.0466(19) Uani 1 1 d . . .
H42 H 0.3800 -0.2184 0.2679 0.056 Uiso 1 1 calc R . .
C137 C 0.34488(10) -0.2905(6) 0.30559(18) 0.0353(16) Uani 1 1 d . . .
C138 C 0.34639(11) -0.3899(6) 0.3184(2) 0.0406(17) Uani 1 1 d . . .
H43 H 0.3563 -0.4040 0.3390 0.049 Uiso 1 1 calc R . .
C139 C 0.33399(12) -0.4684(6) 0.3022(2) 0.0427(18) Uani 1 1 d . . .
H44 H 0.3351 -0.5358 0.3116 0.051 Uiso 1 1 calc R . .
C140 C 0.31968(12) -0.4481(6) 0.2717(2) 0.0449(19) Uani 1 1 d . . .
H45 H 0.3112 -0.5023 0.2601 0.054 Uiso 1 1 calc R . .
C141 C 0.31782(12) -0.3498(8) 0.2584(2) 0.052(2) Uani 1 1 d . . .
H46 H 0.3081 -0.3366 0.2375 0.062 Uiso 1 1 calc R . .
C142 C 0.33016(12) -0.2705(7) 0.2753(2) 0.0443(18) Uani 1 1 d . . .
H47 H 0.3286 -0.2025 0.2664 0.053 Uiso 1 1 calc R . .
C143 C 0.36280(14) 0.0757(7) 0.23417(19) 0.0466(19) Uani 1 1 d . . .
C144 C 0.37356(16) 0.1368(8) 0.2147(2) 0.062(2) Uani 1 1 d . . .
H48 H 0.3795 0.2015 0.2228 0.074 Uiso 1 1 calc R . .
C145 C 0.3754(2) 0.0996(10) 0.1828(3) 0.076(3) Uani 1 1 d . . .
H49 H 0.3822 0.1408 0.1689 0.092 Uiso 1 1 calc R . .
C146 C 0.36733(19) 0.0041(9) 0.1714(3) 0.069(3) Uani 1 1 d . . .
H50 H 0.3692 -0.0213 0.1502 0.082 Uiso 1 1 calc R . .
C147 C 0.35653(19) -0.0546(9) 0.1911(3) 0.068(3) Uani 1 1 d . . .
H51 H 0.3506 -0.1192 0.1829 0.081 Uiso 1 1 calc R . .
C148 C 0.35444(17) -0.0194(7) 0.2223(2) 0.056(2) Uani 1 1 d . . .
H52 H 0.3473 -0.0605 0.2358 0.067 Uiso 1 1 calc R . .
C149 C 0.37913(13) 0.2217(7) 0.2861(2) 0.0459(19) Uani 1 1 d . . .
C150 C 0.37357(15) 0.3250(7) 0.2898(2) 0.053(2) Uani 1 1 d . . .
H53 H 0.3590 0.3443 0.2871 0.064 Uiso 1 1 calc R . .
C151 C 0.38969(16) 0.3993(8) 0.2974(3) 0.064(3) Uani 1 1 d . . .
H54 H 0.3858 0.4692 0.2999 0.077 Uiso 1 1 calc R . .
C152 C 0.41058(17) 0.3756(9) 0.3015(3) 0.072(3) Uani 1 1 d . . .
H55 H 0.4211 0.4283 0.3063 0.086 Uiso 1 1 calc R . .
C153 C 0.41662(15) 0.2742(8) 0.2986(3) 0.064(3) Uani 1 1 d . . .
H56 H 0.4313 0.2566 0.3021 0.077 Uiso 1 1 calc R . .
C154 C 0.40099(13) 0.1977(7) 0.2904(2) 0.052(2) Uani 1 1 d . . .
H57 H 0.4052 0.1284 0.2878 0.062 Uiso 1 1 calc R . .
C155 C 0.33393(12) 0.1896(7) 0.2667(2) 0.049(2) Uani 1 1 d . . .
C156 C 0.32216(15) 0.2043(8) 0.2336(3) 0.063(3) Uani 1 1 d . . .
H58 H 0.3283 0.1864 0.2150 0.076 Uiso 1 1 calc R . .
C157 C 0.30200(18) 0.2442(10) 0.2277(4) 0.085(4) Uani 1 1 d . . .
H59 H 0.2939 0.2512 0.2053 0.102 Uiso 1 1 calc R . .
C158 C 0.29339(18) 0.2744(8) 0.2545(5) 0.092(5) Uani 1 1 d . . .
H60 H 0.2794 0.3031 0.2504 0.110 Uiso 1 1 calc R . .
C159 C 0.30509(17) 0.2632(8) 0.2878(4) 0.075(3) Uani 1 1 d . . .
H61 H 0.2991 0.2857 0.3060 0.090 Uiso 1 1 calc R . .
C160 C 0.32573(14) 0.2189(7) 0.2947(3) 0.057(2) Uani 1 1 d . . .
H62 H 0.3337 0.2093 0.3172 0.068 Uiso 1 1 calc R . .
C161 C 0.2044(2) 0.4287(14) 0.0407(3) 0.083(5) Uani 0.704(7) 1 d PDU A 1
H63 H 0.2077 0.4996 0.0501 0.100 Uiso 0.704(7) 1 calc PR A 1
C162 C 0.1224(3) 0.0372(13) 0.5221(6) 0.175(10) Uani 1 1 d DU . .
H64 H 0.1282 0.0105 0.5454 0.210 Uiso 1 1 calc R . .
C163 C 0.1660(4) 0.1001(15) 0.6054(4) 0.132(7) Uani 1 1 d . . .
H65 H 0.1647 0.1387 0.5837 0.158 Uiso 1 1 calc R . .
C164 C 0.0587(2) 0.1344(12) 0.5925(3) 0.092(4) Uani 1 1 d . . .
H66 H 0.0572 0.2101 0.5879 0.110 Uiso 1 1 calc R . .
Ni1 Ni 0.432005(17) 0.10091(9) 0.41952(3) 0.0317(3) Uani 1 1 d . . .
Ni2 Ni 0.282638(17) 0.05677(10) 0.35998(3) 0.0317(3) Uani 1 1 d . . .
N1 N 0.41878(9) 0.0550(5) 0.37553(15) 0.0322(12) Uani 1 1 d . . .
N2 N 0.45946(9) 0.0944(5) 0.40816(15) 0.0345(13) Uani 1 1 d . . .
N3 N 0.44547(9) 0.1434(5) 0.46454(15) 0.0357(13) Uani 1 1 d . . .
N4 N 0.40438(9) 0.1054(5) 0.43110(14) 0.0340(13) Uani 1 1 d . . .
N5 N 0.29885(9) 0.0198(4) 0.32740(15) 0.0306(13) Uani 1 1 d . . .
N6 N 0.25707(9) 0.0261(5) 0.32788(16) 0.0327(13) Uani 1 1 d . . .
N7 N 0.26613(9) 0.0897(5) 0.39278(14) 0.0351(13) Uani 1 1 d . . .
N8 N 0.30830(9) 0.0962(5) 0.39187(14) 0.0354(13) Uani 1 1 d . . .
Cl1 Cl 0.21967(11) 0.4047(5) 0.00982(19) 0.116(2) Uani 0.704(7) 1 d PDU A 1
Cl2 Cl 0.17717(8) 0.4215(4) 0.02083(14) 0.0984(17) Uani 0.704(7) 1 d PDU A 1
Cl3 Cl 0.21090(13) 0.3396(5) 0.07310(14) 0.123(3) Uani 0.704(7) 1 d PDU A 1
Cl4 Cl 0.14245(8) 0.1016(4) 0.50667(13) 0.1383(17) Uani 1 1 d DU . .
Cl5 Cl 0.10135(11) 0.1244(5) 0.52211(18) 0.170(2) Uani 1 1 d DU . .
Cl6 Cl 0.11246(11) -0.0644(5) 0.4947(2) 0.197(3) Uani 1 1 d DU . .
Cl7 Cl 0.19126(10) 0.1245(4) 0.62940(13) 0.1343(16) Uani 1 1 d . . .
Cl8 Cl 0.14479(10) 0.1515(4) 0.62573(13) 0.146(2) Uani 1 1 d . . .
Cl9 Cl 0.16108(10) -0.0257(3) 0.59497(12) 0.1306(16) Uani 1 1 d . . .
Cl10 Cl 0.08535(7) 0.1082(5) 0.60726(13) 0.1435(19) Uani 1 1 d . . .
Cl11 Cl 0.04351(6) 0.1023(4) 0.62279(11) 0.1183(14) Uani 1 1 d . . .
Cl12 Cl 0.04787(7) 0.0685(3) 0.55485(11) 0.1115(12) Uani 1 1 d . . .
Pt1 Pt 0.360596(4) -0.02625(2) 0.307349(7) 0.03054(13) Uani 1 1 d . . .
P1 P 0.36421(3) -0.19281(15) 0.32590(4) 0.0324(4) Uani 1 1 d . . .
P2 P 0.35931(3) 0.11962(16) 0.27566(5) 0.0388(4) Uani 1 1 d . . .
Cl13 Cl 0.23674(17) 0.3259(10) 0.0498(3) 0.096(4) Uani 0.296(7) 1 d PDU A 2
Cl14 Cl 0.1971(2) 0.3793(12) 0.0647(4) 0.111(5) Uani 0.296(7) 1 d PDU A 2
Cl15 Cl 0.2040(3) 0.4076(11) -0.0019(3) 0.112(5) Uani 0.296(7) 1 d PDU A 2
C165 C 0.2158(3) 0.416(2) 0.0416(5) 0.080(13) Uani 0.296(7) 1 d PDU A 2
H67 H 0.2213 0.4877 0.0478 0.096 Uiso 0.296(7) 1 calc PR A 2
O1 O 0.5110(13) 0.251(5) 0.1797(19) 0.18(3) Uiso 0.20 1 d PDU . .
O2 O 0.4177(15) 0.377(7) 0.2333(19) 0.21(3) Uiso 0.20 1 d PDU . .
C167 C 0.5188(6) 0.159(3) 0.2035(10) 0.041(8) Uiso 0.20 1 d PDU . .
C166 C 0.4205(8) 0.318(4) 0.2021(13) 0.065(12) Uiso 0.20 1 d PDU . .
O3 O 0.0714(11) 0.057(6) 0.2941(19) 0.15(2) Uiso 0.20 1 d PDU . .
O5 O 0.422(2) 0.393(11) 0.128(4) 0.28(5) Uiso 0.20 1 d PDU . .
C168 C 0.438(3) 0.458(15) 0.153(5) 0.27(6) Uiso 0.20 1 d PDU . .
C169 C 0.0505(17) 0.013(11) 0.273(4) 0.20(4) Uiso 0.20 1 d PDU . .
O6 O 0.4809(10) 0.232(6) 0.1600(18) 0.14(2) Uiso 0.20 1 d P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.373(9) . ?
C1 C20 1.403(9) . ?
C1 C2 1.457(11) . ?
C2 C3 1.352(10) . ?
C2 Pt1 2.084(7) . ?
C3 C4 1.432(10) . ?
C3 H1 0.9500 . ?
C4 C5 1.383(10) . ?
C4 N1 1.395(9) . ?
C5 C6 1.412(10) . ?
C5 C41 1.481(10) . ?
C6 N2 1.382(10) . ?
C6 C7 1.443(10) . ?
C7 C8 1.346(12) . ?
C7 H2 0.9500 . ?
C8 C9 1.439(10) . ?
C8 H3 0.9500 . ?
C9 N2 1.380(9) . ?
C9 C10 1.388(11) . ?
C10 C11 1.389(10) . ?
C10 C55 1.501(10) . ?
C11 N3 1.376(9) . ?
C11 C12 1.426(11) . ?
C12 C13 1.357(11) . ?
C12 H4 0.9500 . ?
C13 C14 1.440(10) . ?
C13 H5 0.9500 . ?
C14 C15 1.385(10) . ?
C14 N3 1.387(9) . ?
C15 C16 1.385(11) . ?
C15 C69 1.495(10) . ?
C16 N4 1.398(9) . ?
C16 C17 1.417(10) . ?
C17 C18 1.348(11) . ?
C17 H6 0.9500 . ?
C18 C19 1.469(10) . ?
C18 C38 1.485(10) . ?
C19 C20 1.363(10) . ?
C19 N4 1.381(9) . ?
C20 H7 0.9500 . ?
C21 N5 1.369(9) . ?
C21 C40 1.389(10) . ?
C21 C22 1.474(9) . ?
C22 C23 1.379(10) . ?
C22 Pt1 2.059(7) . ?
C23 C24 1.439(9) . ?
C23 H8 0.9500 . ?
C24 N5 1.388(9) . ?
C24 C25 1.396(10) . ?
C25 C26 1.387(10) . ?
C25 C83 1.476(11) . ?
C26 N6 1.377(10) . ?
C26 C27 1.427(10) . ?
C27 C28 1.361(11) . ?
C27 H9 0.9500 . ?
C28 C29 1.445(11) . ?
C28 H10 0.9500 . ?
C29 C30 1.364(11) . ?
C29 N6 1.395(9) . ?
C30 C31 1.406(11) . ?
C30 C97 1.498(10) . ?
C31 N7 1.382(9) . ?
C31 C32 1.449(10) . ?
C32 C33 1.357(12) . ?
C32 H11 0.9500 . ?
C33 C34 1.441(10) . ?
C33 H12 0.9500 . ?
C34 N7 1.373(10) . ?
C34 C35 1.399(11) . ?
C35 C36 1.379(10) . ?
C35 C111 1.505(10) . ?
C36 N8 1.362(10) . ?
C36 C37 1.443(10) . ?
C37 C38 1.377(10) . ?
C37 H13 0.9500 . ?
C38 C39 1.438(10) . ?
C39 C40 1.374(10) . ?
C39 N8 1.383(9) . ?
C40 H14 0.9500 . ?
C41 C46 1.401(11) . ?
C41 C42 1.401(11) . ?
C42 C43 1.357(11) . ?
C42 H15 0.9500 . ?
C43 C44 1.422(12) . ?
C43 C47 1.550(12) . ?
C44 C45 1.391(11) . ?
C44 H16 0.9500 . ?
C45 C46 1.379(11) . ?
C45 C51 1.546(11) . ?
C46 H17 0.9500 . ?
C47 C48 1.422(15) . ?
C47 C49 1.450(16) . ?
C47 C50 1.59(2) . ?
C48 H68 0.9800 . ?
C48 H69 0.9800 . ?
C48 H70 0.9800 . ?
C49 H71 0.9800 . ?
C49 H72 0.9800 . ?
C49 H73 0.9800 . ?
C50 H74 0.9800 . ?
C50 H75 0.9800 . ?
C50 H76 0.9800 . ?
C51 C53 1.522(12) . ?
C51 C52 1.537(12) . ?
C51 C54 1.552(11) . ?
C52 H77 0.9800 . ?
C52 H78 0.9800 . ?
C52 H79 0.9800 . ?
C53 H80 0.9800 . ?
C53 H81 0.9800 . ?
C53 H82 0.9800 . ?
C54 H83 0.9800 . ?
C54 H84 0.9800 . ?
C54 H85 0.9800 . ?
C55 C60 1.382(11) . ?
C55 C56 1.399(11) . ?
C56 C57 1.392(11) . ?
C56 H18 0.9500 . ?
C57 C58 1.374(12) . ?
C57 C61 1.548(10) . ?
C58 C59 1.401(11) . ?
C58 H19 0.9500 . ?
C59 C60 1.398(11) . ?
C59 C65 1.536(12) . ?
C60 H20 0.9500 . ?
C61 C62 1.519(12) . ?
C61 C64 1.524(13) . ?
C61 C63 1.538(13) . ?
C62 H86 0.9800 . ?
C62 H87 0.9800 . ?
C62 H88 0.9800 . ?
C63 H89 0.9800 . ?
C63 H90 0.9800 . ?
C63 H91 0.9800 . ?
C64 H92 0.9800 . ?
C64 H93 0.9800 . ?
C64 H94 0.9800 . ?
C65 C66 1.540(15) . ?
C65 C68 1.552(16) . ?
C65 C67 1.568(13) . ?
C66 H95 0.9800 . ?
C66 H96 0.9800 . ?
C66 H97 0.9800 . ?
C67 H98 0.9800 . ?
C67 H99 0.9800 . ?
C67 H100 0.9800 . ?
C68 H101 0.9800 . ?
C68 H102 0.9800 . ?
C68 H103 0.9800 . ?
C69 C74 1.376(12) . ?
C69 C70 1.420(13) . ?
C70 C71 1.354(14) . ?
C70 H21 0.9500 . ?
C71 C72 1.425(15) . ?
C71 C79 1.523(17) . ?
C72 C73 1.413(14) . ?
C72 H22 0.9500 . ?
C73 C74 1.395(11) . ?
C73 C75 1.543(13) . ?
C74 H23 0.9500 . ?
C75 C78 1.522(12) . ?
C75 C76 1.525(16) . ?
C75 C77 1.537(13) . ?
C76 H104 0.9800 . ?
C76 H105 0.9800 . ?
C76 H106 0.9800 . ?
C77 H107 0.9800 . ?
C77 H108 0.9800 . ?
C77 H109 0.9800 . ?
C78 H110 0.9800 . ?
C78 H111 0.9800 . ?
C78 H112 0.9800 . ?
C79 C81 1.410(18) . ?
C79 C80 1.513(19) . ?
C79 C82 1.66(2) . ?
C80 H113 0.9800 . ?
C80 H114 0.9800 . ?
C80 H115 0.9800 . ?
C81 H116 0.9800 . ?
C81 H117 0.9800 . ?
C81 H118 0.9800 . ?
C82 H119 0.9800 . ?
C82 H120 0.9800 . ?
C82 H121 0.9800 . ?
C83 C84 1.381(10) . ?
C83 C88 1.399(10) . ?
C84 C85 1.398(10) . ?
C84 H24 0.9500 . ?
C85 C86 1.397(11) . ?
C85 C89 1.518(10) . ?
C86 C87 1.395(11) . ?
C86 H25 0.9500 . ?
C87 C88 1.391(10) . ?
C87 C93 1.544(10) . ?
C88 H26 0.9500 . ?
C89 C90 1.517(13) . ?
C89 C91 1.544(12) . ?
C89 C92 1.552(13) . ?
C90 H122 0.9800 . ?
C90 H123 0.9800 . ?
C90 H124 0.9800 . ?
C91 H125 0.9800 . ?
C91 H126 0.9800 . ?
C91 H127 0.9800 . ?
C92 H128 0.9800 . ?
C92 H129 0.9800 . ?
C92 H130 0.9800 . ?
C93 C96 1.527(11) . ?
C93 C95 1.531(12) . ?
C93 C94 1.538(11) . ?
C94 H131 0.9800 . ?
C94 H132 0.9800 . ?
C94 H133 0.9800 . ?
C95 H134 0.9800 . ?
C95 H135 0.9800 . ?
C95 H136 0.9800 . ?
C96 H137 0.9800 . ?
C96 H138 0.9800 . ?
C96 H139 0.9800 . ?
C97 C102 1.382(12) . ?
C97 C98 1.395(12) . ?
C98 C99 1.410(11) . ?
C98 H27 0.9500 . ?
C99 C100 1.405(13) . ?
C99 C103 1.515(13) . ?
C100 C101 1.365(13) . ?
C100 H28 0.9500 . ?
C101 C102 1.407(12) . ?
C101 C107 1.526(14) . ?
C102 H29 0.9500 . ?
C103 C106 1.534(15) . ?
C103 C104 1.541(13) . ?
C103 C105 1.549(14) . ?
C104 H140 0.9800 . ?
C104 H141 0.9800 . ?
C104 H142 0.9800 . ?
C105 H143 0.9800 . ?
C105 H144 0.9800 . ?
C105 H145 0.9800 . ?
C106 H146 0.9800 . ?
C106 H147 0.9800 . ?
C106 H148 0.9800 . ?
C107 C110 1.517(14) . ?
C107 C109 1.550(15) . ?
C107 C108 1.559(16) . ?
C108 H149 0.9800 . ?
C108 H150 0.9800 . ?
C108 H151 0.9800 . ?
C109 H152 0.9800 . ?
C109 H153 0.9800 . ?
C109 H154 0.9800 . ?
C110 H155 0.9800 . ?
C110 H156 0.9800 . ?
C110 H157 0.9800 . ?
C111 C116 1.372(13) . ?
C111 C112 1.389(12) . ?
C112 C113 1.400(11) . ?
C112 H30 0.9500 . ?
C113 C114 1.373(13) . ?
C113 C117 1.521(13) . ?
C114 C115 1.421(15) . ?
C114 H31 0.9500 . ?
C115 C116 1.364(14) . ?
C115 C121 1.554(17) . ?
C116 H32 0.9500 . ?
C117 C120 1.525(16) . ?
C117 C119 1.541(15) . ?
C117 C118 1.546(19) . ?
C118 H158 0.9800 . ?
C118 H159 0.9800 . ?
C118 H160 0.9800 . ?
C119 H161 0.9800 . ?
C119 H162 0.9800 . ?
C119 H163 0.9800 . ?
C120 H164 0.9800 . ?
C120 H165 0.9800 . ?
C120 H166 0.9800 . ?
C121 C124 1.474(14) . ?
C121 C122 1.518(16) . ?
C121 C123 1.525(16) . ?
C122 H167 0.9800 . ?
C122 H168 0.9800 . ?
C122 H169 0.9800 . ?
C123 H170 0.9800 . ?
C123 H171 0.9800 . ?
C123 H172 0.9800 . ?
C124 H173 0.9800 . ?
C124 H174 0.9800 . ?
C124 H175 0.9800 . ?
C125 C130 1.390(11) . ?
C125 C126 1.398(11) . ?
C125 P1 1.815(7) . ?
C126 C127 1.389(13) . ?
C126 H33 0.9500 . ?
C127 C128 1.376(15) . ?
C127 H34 0.9500 . ?
C128 C129 1.372(13) . ?
C128 H35 0.9500 . ?
C129 C130 1.376(11) . ?
C129 H36 0.9500 . ?
C130 H37 0.9500 . ?
C131 C136 1.391(11) . ?
C131 C132 1.394(11) . ?
C131 P1 1.825(7) . ?
C132 C133 1.391(12) . ?
C132 H38 0.9500 . ?
C133 C134 1.364(14) . ?
C133 H39 0.9500 . ?
C134 C135 1.397(14) . ?
C134 H40 0.9500 . ?
C135 C136 1.388(11) . ?
C135 H41 0.9500 . ?
C136 H42 0.9500 . ?
C137 C138 1.385(11) . ?
C137 C142 1.400(11) . ?
C137 P1 1.837(7) . ?
C138 C139 1.367(11) . ?
C138 H43 0.9500 . ?
C139 C140 1.393(13) . ?
C139 H44 0.9500 . ?
C140 C141 1.380(13) . ?
C140 H45 0.9500 . ?
C141 C142 1.386(12) . ?
C141 H46 0.9500 . ?
C142 H47 0.9500 . ?
C143 C148 1.388(14) . ?
C143 C144 1.401(13) . ?
C143 P2 1.836(8) . ?
C144 C145 1.410(14) . ?
C144 H48 0.9500 . ?
C145 C146 1.381(17) . ?
C145 H49 0.9500 . ?
C146 C147 1.392(16) . ?
C146 H50 0.9500 . ?
C147 C148 1.381(13) . ?
C147 H51 0.9500 . ?
C148 H52 0.9500 . ?
C149 C150 1.403(13) . ?
C149 C154 1.408(12) . ?
C149 P2 1.819(9) . ?
C150 C151 1.397(13) . ?
C150 H53 0.9500 . ?
C151 C152 1.349(15) . ?
C151 H54 0.9500 . ?
C152 C153 1.383(16) . ?
C152 H55 0.9500 . ?
C153 C154 1.398(13) . ?
C153 H56 0.9500 . ?
C154 H57 0.9500 . ?
C155 C156 1.402(13) . ?
C155 C160 1.404(13) . ?
C155 P2 1.829(8) . ?
C156 C157 1.364(15) . ?
C156 H58 0.9500 . ?
C157 C158 1.38(2) . ?
C157 H59 0.9500 . ?
C158 C159 1.400(19) . ?
C158 H60 0.9500 . ?
C159 C160 1.413(14) . ?
C159 H61 0.9500 . ?
C160 H62 0.9500 . ?
C161 Cl3 1.731(15) . ?
C161 Cl2 1.759(14) . ?
C161 Cl1 1.774(14) . ?
C161 H63 1.0000 . ?
C162 Cl6 1.752(16) . ?
C162 Cl4 1.757(15) . ?
C162 Cl5 1.761(16) . ?
C162 H64 1.0000 . ?
C163 Cl9 1.698(19) . ?
C163 Cl7 1.73(2) . ?
C163 Cl8 1.859(19) . ?
C163 H65 1.0000 . ?
C164 Cl10 1.713(14) . ?
C164 Cl12 1.755(15) . ?
C164 Cl11 1.778(14) . ?
C164 H66 1.0000 . ?
Ni1 N1 1.896(6) . ?
Ni1 N2 1.916(5) . ?
Ni1 N3 1.922(6) . ?
Ni1 N4 1.929(6) . ?
Ni2 N6 1.899(6) . ?
Ni2 N5 1.911(6) . ?
Ni2 N7 1.920(6) . ?
Ni2 N8 1.926(6) . ?
Pt1 P2 2.278(2) . ?
Pt1 P1 2.282(2) . ?
Cl13 C165 1.757(19) . ?
Cl14 C165 1.747(19) . ?
Cl15 C165 1.767(19) . ?
C165 H67 1.0000 . ?
O1 C167 1.54(2) . ?
O2 C166 1.53(2) . ?
O3 C169 1.53(2) . ?
O5 C168 1.53(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
N1 C1 C20 122.7(6) . . ?
N1 C1 C2 112.3(6) . . ?
C20 C1 C2 124.0(6) . . ?
C3 C2 C1 104.5(6) . . ?
C3 C2 Pt1 138.2(7) . . ?
C1 C2 Pt1 116.1(5) . . ?
C2 C3 C4 108.8(6) . . ?
C2 C3 H1 125.6 . . ?
C4 C3 H1 125.6 . . ?
C5 C4 N1 124.5(6) . . ?
C5 C4 C3 125.2(6) . . ?
N1 C4 C3 110.1(6) . . ?
C4 C5 C6 120.9(6) . . ?
C4 C5 C41 120.2(6) . . ?
C6 C5 C41 118.6(6) . . ?
N2 C6 C5 125.2(6) . . ?
N2 C6 C7 109.9(6) . . ?
C5 C6 C7 124.6(7) . . ?
C8 C7 C6 107.1(7) . . ?
C8 C7 H2 126.4 . . ?
C6 C7 H2 126.4 . . ?
C7 C8 C9 107.2(7) . . ?
C7 C8 H3 126.4 . . ?
C9 C8 H3 126.4 . . ?
N2 C9 C10 124.8(6) . . ?
N2 C9 C8 110.2(7) . . ?
C10 C9 C8 124.4(7) . . ?
C9 C10 C11 120.9(7) . . ?
C9 C10 C55 118.3(6) . . ?
C11 C10 C55 120.7(7) . . ?
N3 C11 C10 125.5(7) . . ?
N3 C11 C12 109.6(6) . . ?
C10 C11 C12 124.8(7) . . ?
C13 C12 C11 107.8(6) . . ?
C13 C12 H4 126.1 . . ?
C11 C12 H4 126.1 . . ?
C12 C13 C14 106.6(7) . . ?
C12 C13 H5 126.7 . . ?
C14 C13 H5 126.7 . . ?
C15 C14 N3 125.2(6) . . ?
C15 C14 C13 125.1(7) . . ?
N3 C14 C13 109.4(6) . . ?
C16 C15 C14 122.7(7) . . ?
C16 C15 C69 119.1(6) . . ?
C14 C15 C69 118.1(6) . . ?
C15 C16 N4 123.9(6) . . ?
C15 C16 C17 126.2(7) . . ?
N4 C16 C17 109.6(6) . . ?
C18 C17 C16 109.4(6) . . ?
C18 C17 H6 125.3 . . ?
C16 C17 H6 125.3 . . ?
C17 C18 C19 105.5(6) . . ?
C17 C18 C38 122.7(6) . . ?
C19 C18 C38 131.8(7) . . ?
C20 C19 N4 122.9(6) . . ?
C20 C19 C18 126.6(6) . . ?
N4 C19 C18 109.9(6) . . ?
C19 C20 C1 122.9(6) . . ?
C19 C20 H7 118.5 . . ?
C1 C20 H7 118.5 . . ?
N5 C21 C40 123.1(6) . . ?
N5 C21 C22 113.5(6) . . ?
C40 C21 C22 122.2(6) . . ?
C23 C22 C21 101.8(6) . . ?
C23 C22 Pt1 137.5(5) . . ?
C21 C22 Pt1 116.8(5) . . ?
C22 C23 C24 110.4(6) . . ?
C22 C23 H8 124.8 . . ?
C24 C23 H8 124.8 . . ?
N5 C24 C25 124.0(6) . . ?
N5 C24 C23 109.2(6) . . ?
C25 C24 C23 126.7(7) . . ?
C26 C25 C24 120.1(7) . . ?
C26 C25 C83 118.7(6) . . ?
C24 C25 C83 121.0(6) . . ?
N6 C26 C25 126.4(7) . . ?
N6 C26 C27 110.3(6) . . ?
C25 C26 C27 122.4(7) . . ?
C28 C27 C26 107.1(7) . . ?
C28 C27 H9 126.5 . . ?
C26 C27 H9 126.5 . . ?
C27 C28 C29 107.5(6) . . ?
C27 C28 H10 126.2 . . ?
C29 C28 H10 126.2 . . ?
C30 C29 N6 125.8(7) . . ?
C30 C29 C28 125.2(7) . . ?
N6 C29 C28 108.6(6) . . ?
C29 C30 C31 120.7(7) . . ?
C29 C30 C97 118.0(7) . . ?
C31 C30 C97 121.3(6) . . ?
N7 C31 C30 124.8(6) . . ?
N7 C31 C32 109.9(6) . . ?
C30 C31 C32 124.5(6) . . ?
C33 C32 C31 106.5(6) . . ?
C33 C32 H11 126.7 . . ?
C31 C32 H11 126.7 . . ?
C32 C33 C34 107.4(7) . . ?
C32 C33 H12 126.3 . . ?
C34 C33 H12 126.3 . . ?
N7 C34 C35 124.5(6) . . ?
N7 C34 C33 110.0(6) . . ?
C35 C34 C33 124.4(7) . . ?
C36 C35 C34 121.6(7) . . ?
C36 C35 C111 119.5(7) . . ?
C34 C35 C111 118.5(6) . . ?
N8 C36 C35 125.6(7) . . ?
N8 C36 C37 109.8(6) . . ?
C35 C36 C37 124.4(7) . . ?
C38 C37 C36 107.4(7) . . ?
C38 C37 H13 126.3 . . ?
C36 C37 H13 126.3 . . ?
C37 C38 C39 105.7(6) . . ?
C37 C38 C18 122.0(7) . . ?
C39 C38 C18 132.3(6) . . ?
C40 C39 N8 123.2(6) . . ?
C40 C39 C38 126.2(6) . . ?
N8 C39 C38 110.5(6) . . ?
C39 C40 C21 124.3(7) . . ?
C39 C40 H14 117.9 . . ?
C21 C40 H14 117.9 . . ?
C46 C41 C42 118.0(7) . . ?
C46 C41 C5 120.7(7) . . ?
C42 C41 C5 121.3(7) . . ?
C43 C42 C41 122.6(7) . . ?
C43 C42 H15 118.7 . . ?
C41 C42 H15 118.7 . . ?
C42 C43 C44 118.1(7) . . ?
C42 C43 C47 121.6(8) . . ?
C44 C43 C47 120.2(7) . . ?
C45 C44 C43 121.0(7) . . ?
C45 C44 H16 119.5 . . ?
C43 C44 H16 119.5 . . ?
C46 C45 C44 119.0(7) . . ?
C46 C45 C51 119.4(7) . . ?
C44 C45 C51 121.7(7) . . ?
C45 C46 C41 121.4(7) . . ?
C45 C46 H17 119.3 . . ?
C41 C46 H17 119.3 . . ?
C48 C47 C49 121.6(15) . . ?
C48 C47 C43 113.0(8) . . ?
C49 C47 C43 111.8(9) . . ?
C48 C47 C50 100.3(15) . . ?
C49 C47 C50 102.2(13) . . ?
C43 C47 C50 105.2(10) . . ?
C47 C48 H68 109.5 . . ?
C47 C48 H69 109.5 . . ?
H68 C48 H69 109.5 . . ?
C47 C48 H70 109.5 . . ?
H68 C48 H70 109.5 . . ?
H69 C48 H70 109.5 . . ?
C47 C49 H71 109.5 . . ?
C47 C49 H72 109.5 . . ?
H71 C49 H72 109.5 . . ?
C47 C49 H73 109.5 . . ?
H71 C49 H73 109.5 . . ?
H72 C49 H73 109.5 . . ?
C47 C50 H74 109.5 . . ?
C47 C50 H75 109.5 . . ?
H74 C50 H75 109.5 . . ?
C47 C50 H76 109.5 . . ?
H74 C50 H76 109.5 . . ?
H75 C50 H76 109.5 . . ?
C53 C51 C52 109.0(7) . . ?
C53 C51 C45 113.5(7) . . ?
C52 C51 C45 108.3(7) . . ?
C53 C51 C54 107.8(7) . . ?
C52 C51 C54 109.1(7) . . ?
C45 C51 C54 109.0(6) . . ?
C51 C52 H77 109.5 . . ?
C51 C52 H78 109.5 . . ?
H77 C52 H78 109.5 . . ?
C51 C52 H79 109.5 . . ?
H77 C52 H79 109.5 . . ?
H78 C52 H79 109.5 . . ?
C51 C53 H80 109.5 . . ?
C51 C53 H81 109.5 . . ?
H80 C53 H81 109.5 . . ?
C51 C53 H82 109.5 . . ?
H80 C53 H82 109.5 . . ?
H81 C53 H82 109.5 . . ?
C51 C54 H83 109.5 . . ?
C51 C54 H84 109.5 . . ?
H83 C54 H84 109.5 . . ?
C51 C54 H85 109.5 . . ?
H83 C54 H85 109.5 . . ?
H84 C54 H85 109.5 . . ?
C60 C55 C56 119.7(7) . . ?
C60 C55 C10 118.7(7) . . ?
C56 C55 C10 121.6(7) . . ?
C57 C56 C55 120.3(7) . . ?
C57 C56 H18 119.8 . . ?
C55 C56 H18 119.8 . . ?
C58 C57 C56 118.8(7) . . ?
C58 C57 C61 121.5(7) . . ?
C56 C57 C61 119.6(7) . . ?
C57 C58 C59 122.4(7) . . ?
C57 C58 H19 118.8 . . ?
C59 C58 H19 118.8 . . ?
C60 C59 C58 117.7(8) . . ?
C60 C59 C65 118.4(7) . . ?
C58 C59 C65 123.8(7) . . ?
C55 C60 C59 120.9(8) . . ?
C55 C60 H20 119.5 . . ?
C59 C60 H20 119.5 . . ?
C62 C61 C64 108.5(9) . . ?
C62 C61 C63 107.3(7) . . ?
C64 C61 C63 111.1(9) . . ?
C62 C61 C57 112.9(7) . . ?
C64 C61 C57 108.8(7) . . ?
C63 C61 C57 108.2(7) . . ?
C61 C62 H86 109.5 . . ?
C61 C62 H87 109.5 . . ?
H86 C62 H87 109.5 . . ?
C61 C62 H88 109.5 . . ?
H86 C62 H88 109.5 . . ?
H87 C62 H88 109.5 . . ?
C61 C63 H89 109.5 . . ?
C61 C63 H90 109.5 . . ?
H89 C63 H90 109.5 . . ?
C61 C63 H91 109.5 . . ?
H89 C63 H91 109.5 . . ?
H90 C63 H91 109.5 . . ?
C61 C64 H92 109.5 . . ?
C61 C64 H93 109.5 . . ?
H92 C64 H93 109.5 . . ?
C61 C64 H94 109.5 . . ?
H92 C64 H94 109.5 . . ?
H93 C64 H94 109.5 . . ?
C59 C65 C66 108.7(8) . . ?
C59 C65 C68 108.9(8) . . ?
C66 C65 C68 111.6(9) . . ?
C59 C65 C67 112.1(8) . . ?
C66 C65 C67 107.1(9) . . ?
C68 C65 C67 108.5(9) . . ?
C65 C66 H95 109.5 . . ?
C65 C66 H96 109.5 . . ?
H95 C66 H96 109.5 . . ?
C65 C66 H97 109.5 . . ?
H95 C66 H97 109.5 . . ?
H96 C66 H97 109.5 . . ?
C65 C67 H98 109.5 . . ?
C65 C67 H99 109.5 . . ?
H98 C67 H99 109.5 . . ?
C65 C67 H100 109.5 . . ?
H98 C67 H100 109.5 . . ?
H99 C67 H100 109.5 . . ?
C65 C68 H101 109.5 . . ?
C65 C68 H102 109.5 . . ?
H101 C68 H102 109.5 . . ?
C65 C68 H103 109.5 . . ?
H101 C68 H103 109.5 . . ?
H102 C68 H103 109.5 . . ?
C74 C69 C70 119.9(8) . . ?
C74 C69 C15 122.5(8) . . ?
C70 C69 C15 117.6(7) . . ?
C71 C70 C69 121.8(9) . . ?
C71 C70 H21 119.1 . . ?
C69 C70 H21 119.1 . . ?
C70 C71 C72 117.3(9) . . ?
C70 C71 C79 119.3(10) . . ?
C72 C71 C79 123.4(10) . . ?
C73 C72 C71 122.6(8) . . ?
C73 C72 H22 118.7 . . ?
C71 C72 H22 118.7 . . ?
C74 C73 C72 117.1(8) . . ?
C74 C73 C75 120.1(8) . . ?
C72 C73 C75 122.6(7) . . ?
C69 C74 C73 121.2(8) . . ?
C69 C74 H23 119.4 . . ?
C73 C74 H23 119.4 . . ?
C78 C75 C76 108.7(9) . . ?
C78 C75 C77 109.4(8) . . ?
C76 C75 C77 110.0(10) . . ?
C78 C75 C73 111.5(8) . . ?
C76 C75 C73 110.5(8) . . ?
C77 C75 C73 106.7(8) . . ?
C75 C76 H104 109.5 . . ?
C75 C76 H105 109.5 . . ?
H104 C76 H105 109.5 . . ?
C75 C76 H106 109.5 . . ?
H104 C76 H106 109.5 . . ?
H105 C76 H106 109.5 . . ?
C75 C77 H107 109.5 . . ?
C75 C77 H108 109.5 . . ?
H107 C77 H108 109.5 . . ?
C75 C77 H109 109.5 . . ?
H107 C77 H109 109.5 . . ?
H108 C77 H109 109.5 . . ?
C75 C78 H110 109.5 . . ?
C75 C78 H111 109.5 . . ?
H110 C78 H111 109.5 . . ?
C75 C78 H112 109.5 . . ?
H110 C78 H112 109.5 . . ?
H111 C78 H112 109.5 . . ?
C81 C79 C80 116.1(14) . . ?
C81 C79 C71 115.1(13) . . ?
C80 C79 C71 110.4(11) . . ?
C81 C79 C82 102.1(14) . . ?
C80 C79 C82 104.4(14) . . ?
C71 C79 C82 107.4(13) . . ?
C79 C80 H113 109.5 . . ?
C79 C80 H114 109.5 . . ?
H113 C80 H114 109.5 . . ?
C79 C80 H115 109.5 . . ?
H113 C80 H115 109.5 . . ?
H114 C80 H115 109.5 . . ?
C79 C81 H116 109.5 . . ?
C79 C81 H117 109.5 . . ?
H116 C81 H117 109.5 . . ?
C79 C81 H118 109.5 . . ?
H116 C81 H118 109.5 . . ?
H117 C81 H118 109.5 . . ?
C79 C82 H119 109.5 . . ?
C79 C82 H120 109.5 . . ?
H119 C82 H120 109.5 . . ?
C79 C82 H121 109.5 . . ?
H119 C82 H121 109.5 . . ?
H120 C82 H121 109.5 . . ?
C84 C83 C88 118.7(7) . . ?
C84 C83 C25 121.7(7) . . ?
C88 C83 C25 119.4(6) . . ?
C83 C84 C85 121.9(7) . . ?
C83 C84 H24 119.0 . . ?
C85 C84 H24 119.0 . . ?
C86 C85 C84 117.7(7) . . ?
C86 C85 C89 122.0(7) . . ?
C84 C85 C89 120.2(7) . . ?
C87 C86 C85 121.9(7) . . ?
C87 C86 H25 119.1 . . ?
C85 C86 H25 119.1 . . ?
C88 C87 C86 118.3(7) . . ?
C88 C87 C93 121.7(7) . . ?
C86 C87 C93 120.0(7) . . ?
C87 C88 C83 121.3(6) . . ?
C87 C88 H26 119.3 . . ?
C83 C88 H26 119.3 . . ?
C90 C89 C85 108.9(7) . . ?
C90 C89 C91 108.3(8) . . ?
C85 C89 C91 113.1(7) . . ?
C90 C89 C92 109.1(8) . . ?
C85 C89 C92 109.2(7) . . ?
C91 C89 C92 108.2(7) . . ?
C89 C90 H122 109.5 . . ?
C89 C90 H123 109.5 . . ?
H122 C90 H123 109.5 . . ?
C89 C90 H124 109.5 . . ?
H122 C90 H124 109.5 . . ?
H123 C90 H124 109.5 . . ?
C89 C91 H125 109.5 . . ?
C89 C91 H126 109.5 . . ?
H125 C91 H126 109.5 . . ?
C89 C91 H127 109.5 . . ?
H125 C91 H127 109.5 . . ?
H126 C91 H127 109.5 . . ?
C89 C92 H128 109.5 . . ?
C89 C92 H129 109.5 . . ?
H128 C92 H129 109.5 . . ?
C89 C92 H130 109.5 . . ?
H128 C92 H130 109.5 . . ?
H129 C92 H130 109.5 . . ?
C96 C93 C95 108.0(7) . . ?
C96 C93 C94 108.1(8) . . ?
C95 C93 C94 110.1(7) . . ?
C96 C93 C87 112.9(6) . . ?
C95 C93 C87 109.8(7) . . ?
C94 C93 C87 107.9(6) . . ?
C93 C94 H131 109.5 . . ?
C93 C94 H132 109.5 . . ?
H131 C94 H132 109.5 . . ?
C93 C94 H133 109.5 . . ?
H131 C94 H133 109.5 . . ?
H132 C94 H133 109.5 . . ?
C93 C95 H134 109.5 . . ?
C93 C95 H135 109.5 . . ?
H134 C95 H135 109.5 . . ?
C93 C95 H136 109.5 . . ?
H134 C95 H136 109.5 . . ?
H135 C95 H136 109.5 . . ?
C93 C96 H137 109.5 . . ?
C93 C96 H138 109.5 . . ?
H137 C96 H138 109.5 . . ?
C93 C96 H139 109.5 . . ?
H137 C96 H139 109.5 . . ?
H138 C96 H139 109.5 . . ?
C102 C97 C98 120.4(7) . . ?
C102 C97 C30 118.1(7) . . ?
C98 C97 C30 120.9(8) . . ?
C97 C98 C99 120.1(9) . . ?
C97 C98 H27 120.0 . . ?
C99 C98 H27 120.0 . . ?
C100 C99 C98 116.9(8) . . ?
C100 C99 C103 120.3(7) . . ?
C98 C99 C103 122.7(9) . . ?
C101 C100 C99 124.2(8) . . ?
C101 C100 H28 117.9 . . ?
C99 C100 H28 117.9 . . ?
C100 C101 C102 117.3(9) . . ?
C100 C101 C107 121.2(8) . . ?
C102 C101 C107 121.3(8) . . ?
C97 C102 C101 121.0(8) . . ?
C97 C102 H29 119.5 . . ?
C101 C102 H29 119.5 . . ?
C99 C103 C106 111.0(9) . . ?
C99 C103 C104 109.5(8) . . ?
C106 C103 C104 109.0(9) . . ?
C99 C103 C105 113.2(7) . . ?
C106 C103 C105 107.6(8) . . ?
C104 C103 C105 106.4(9) . . ?
C103 C104 H140 109.5 . . ?
C103 C104 H141 109.5 . . ?
H140 C104 H141 109.5 . . ?
C103 C104 H142 109.5 . . ?
H140 C104 H142 109.5 . . ?
H141 C104 H142 109.5 . . ?
C103 C105 H143 109.5 . . ?
C103 C105 H144 109.5 . . ?
H143 C105 H144 109.5 . . ?
C103 C105 H145 109.5 . . ?
H143 C105 H145 109.5 . . ?
H144 C105 H145 109.5 . . ?
C103 C106 H146 109.5 . . ?
C103 C106 H147 109.5 . . ?
H146 C106 H147 109.5 . . ?
C103 C106 H148 109.5 . . ?
H146 C106 H148 109.5 . . ?
H147 C106 H148 109.5 . . ?
C110 C107 C101 110.1(9) . . ?
C110 C107 C109 107.4(9) . . ?
C101 C107 C109 113.4(8) . . ?
C110 C107 C108 109.9(10) . . ?
C101 C107 C108 107.8(9) . . ?
C109 C107 C108 108.1(9) . . ?
C107 C108 H149 109.5 . . ?
C107 C108 H150 109.5 . . ?
H149 C108 H150 109.5 . . ?
C107 C108 H151 109.5 . . ?
H149 C108 H151 109.5 . . ?
H150 C108 H151 109.5 . . ?
C107 C109 H152 109.5 . . ?
C107 C109 H153 109.5 . . ?
H152 C109 H153 109.5 . . ?
C107 C109 H154 109.5 . . ?
H152 C109 H154 109.5 . . ?
H153 C109 H154 109.5 . . ?
C107 C110 H155 109.5 . . ?
C107 C110 H156 109.5 . . ?
H155 C110 H156 109.5 . . ?
C107 C110 H157 109.5 . . ?
H155 C110 H157 109.5 . . ?
H156 C110 H157 109.5 . . ?
C116 C111 C112 120.3(8) . . ?
C116 C111 C35 120.6(8) . . ?
C112 C111 C35 119.1(7) . . ?
C111 C112 C113 120.9(8) . . ?
C111 C112 H30 119.5 . . ?
C113 C112 H30 119.5 . . ?
C114 C113 C112 117.6(8) . . ?
C114 C113 C117 123.5(8) . . ?
C112 C113 C117 118.9(8) . . ?
C113 C114 C115 121.7(8) . . ?
C113 C114 H31 119.1 . . ?
C115 C114 H31 119.1 . . ?
C116 C115 C114 118.7(10) . . ?
C116 C115 C121 120.4(10) . . ?
C114 C115 C121 120.8(9) . . ?
C115 C116 C111 120.7(9) . . ?
C115 C116 H32 119.6 . . ?
C111 C116 H32 119.6 . . ?
C113 C117 C120 113.4(10) . . ?
C113 C117 C119 110.1(8) . . ?
C120 C117 C119 108.1(10) . . ?
C113 C117 C118 108.9(9) . . ?
C120 C117 C118 107.7(10) . . ?
C119 C117 C118 108.5(12) . . ?
C117 C118 H158 109.5 . . ?
C117 C118 H159 109.5 . . ?
H158 C118 H159 109.5 . . ?
C117 C118 H160 109.5 . . ?
H158 C118 H160 109.5 . . ?
H159 C118 H160 109.5 . . ?
C117 C119 H161 109.5 . . ?
C117 C119 H162 109.5 . . ?
H161 C119 H162 109.5 . . ?
C117 C119 H163 109.5 . . ?
H161 C119 H163 109.5 . . ?
H162 C119 H163 109.5 . . ?
C117 C120 H164 109.5 . . ?
C117 C120 H165 109.5 . . ?
H164 C120 H165 109.5 . . ?
C117 C120 H166 109.5 . . ?
H164 C120 H166 109.5 . . ?
H165 C120 H166 109.5 . . ?
C124 C121 C122 107.3(12) . . ?
C124 C121 C123 107.9(12) . . ?
C122 C121 C123 104.9(12) . . ?
C124 C121 C115 113.5(12) . . ?
C122 C121 C115 109.3(14) . . ?
C123 C121 C115 113.4(13) . . ?
C121 C122 H167 109.5 . . ?
C121 C122 H168 109.5 . . ?
H167 C122 H168 109.5 . . ?
C121 C122 H169 109.5 . . ?
H167 C122 H169 109.5 . . ?
H168 C122 H169 109.5 . . ?
C121 C123 H170 109.5 . . ?
C121 C123 H171 109.5 . . ?
H170 C123 H171 109.5 . . ?
C121 C123 H172 109.5 . . ?
H170 C123 H172 109.5 . . ?
H171 C123 H172 109.5 . . ?
C121 C124 H173 109.5 . . ?
C121 C124 H174 109.5 . . ?
H173 C124 H174 109.5 . . ?
C121 C124 H175 109.5 . . ?
H173 C124 H175 109.5 . . ?
H174 C124 H175 109.5 . . ?
C130 C125 C126 119.2(7) . . ?
C130 C125 P1 119.9(6) . . ?
C126 C125 P1 120.0(6) . . ?
C127 C126 C125 119.5(8) . . ?
C127 C126 H33 120.3 . . ?
C125 C126 H33 120.3 . . ?
C128 C127 C126 120.6(9) . . ?
C128 C127 H34 119.7 . . ?
C126 C127 H34 119.7 . . ?
C129 C128 C127 119.8(9) . . ?
C129 C128 H35 120.1 . . ?
C127 C128 H35 120.1 . . ?
C128 C129 C130 120.8(8) . . ?
C128 C129 H36 119.6 . . ?
C130 C129 H36 119.6 . . ?
C129 C130 C125 120.2(8) . . ?
C129 C130 H37 119.9 . . ?
C125 C130 H37 119.9 . . ?
C136 C131 C132 118.9(7) . . ?
C136 C131 P1 116.1(6) . . ?
C132 C131 P1 124.9(6) . . ?
C133 C132 C131 119.3(8) . . ?
C133 C132 H38 120.4 . . ?
C131 C132 H38 120.4 . . ?
C134 C133 C132 121.4(8) . . ?
C134 C133 H39 119.3 . . ?
C132 C133 H39 119.3 . . ?
C133 C134 C135 120.1(7) . . ?
C133 C134 H40 119.9 . . ?
C135 C134 H40 119.9 . . ?
C136 C135 C134 118.6(9) . . ?
C136 C135 H41 120.7 . . ?
C134 C135 H41 120.7 . . ?
C135 C136 C131 121.5(8) . . ?
C135 C136 H42 119.2 . . ?
C131 C136 H42 119.2 . . ?
C138 C137 C142 118.7(7) . . ?
C138 C137 P1 119.3(6) . . ?
C142 C137 P1 121.6(6) . . ?
C139 C138 C137 121.8(8) . . ?
C139 C138 H43 119.1 . . ?
C137 C138 H43 119.1 . . ?
C138 C139 C140 119.1(8) . . ?
C138 C139 H44 120.4 . . ?
C140 C139 H44 120.4 . . ?
C141 C140 C139 120.4(7) . . ?
C141 C140 H45 119.8 . . ?
C139 C140 H45 119.8 . . ?
C140 C141 C142 120.0(8) . . ?
C140 C141 H46 120.0 . . ?
C142 C141 H46 120.0 . . ?
C141 C142 C137 120.0(8) . . ?
C141 C142 H47 120.0 . . ?
C137 C142 H47 120.0 . . ?
C148 C143 C144 120.5(8) . . ?
C148 C143 P2 118.5(6) . . ?
C144 C143 P2 121.0(7) . . ?
C143 C144 C145 118.3(10) . . ?
C143 C144 H48 120.8 . . ?
C145 C144 H48 120.8 . . ?
C146 C145 C144 120.9(10) . . ?
C146 C145 H49 119.6 . . ?
C144 C145 H49 119.6 . . ?
C145 C146 C147 119.7(10) . . ?
C145 C146 H50 120.2 . . ?
C147 C146 H50 120.2 . . ?
C148 C147 C146 120.4(11) . . ?
C148 C147 H51 119.8 . . ?
C146 C147 H51 119.8 . . ?
C147 C148 C143 120.2(9) . . ?
C147 C148 H52 119.9 . . ?
C143 C148 H52 119.9 . . ?
C150 C149 C154 117.8(8) . . ?
C150 C149 P2 122.6(7) . . ?
C154 C149 P2 119.5(7) . . ?
C151 C150 C149 119.3(9) . . ?
C151 C150 H53 120.3 . . ?
C149 C150 H53 120.3 . . ?
C152 C151 C150 122.4(10) . . ?
C152 C151 H54 118.8 . . ?
C150 C151 H54 118.8 . . ?
C151 C152 C153 119.7(9) . . ?
C151 C152 H55 120.1 . . ?
C153 C152 H55 120.1 . . ?
C152 C153 C154 119.7(9) . . ?
C152 C153 H56 120.1 . . ?
C154 C153 H56 120.1 . . ?
C153 C154 C149 121.0(9) . . ?
C153 C154 H57 119.5 . . ?
C149 C154 H57 119.5 . . ?
C156 C155 C160 121.4(9) . . ?
C156 C155 P2 121.8(8) . . ?
C160 C155 P2 116.5(7) . . ?
C157 C156 C155 120.6(12) . . ?
C157 C156 H58 119.7 . . ?
C155 C156 H58 119.7 . . ?
C156 C157 C158 119.9(13) . . ?
C156 C157 H59 120.1 . . ?
C158 C157 H59 120.1 . . ?
C157 C158 C159 120.5(11) . . ?
C157 C158 H60 119.8 . . ?
C159 C158 H60 119.8 . . ?
C158 C159 C160 121.0(12) . . ?
C158 C159 H61 119.5 . . ?
C160 C159 H61 119.5 . . ?
C155 C160 C159 116.6(10) . . ?
C155 C160 H62 121.7 . . ?
C159 C160 H62 121.7 . . ?
Cl3 C161 Cl2 111.2(9) . . ?
Cl3 C161 Cl1 109.9(9) . . ?
Cl2 C161 Cl1 108.2(8) . . ?
Cl3 C161 H63 109.2 . . ?
Cl2 C161 H63 109.2 . . ?
Cl1 C161 H63 109.2 . . ?
Cl6 C162 Cl4 108.9(10) . . ?
Cl6 C162 Cl5 108.1(10) . . ?
Cl4 C162 Cl5 108.3(11) . . ?
Cl6 C162 H64 110.5 . . ?
Cl4 C162 H64 110.5 . . ?
Cl5 C162 H64 110.5 . . ?
Cl9 C163 Cl7 114.5(13) . . ?
Cl9 C163 Cl8 110.0(10) . . ?
Cl7 C163 Cl8 111.7(9) . . ?
Cl9 C163 H65 106.7 . . ?
Cl7 C163 H65 106.7 . . ?
Cl8 C163 H65 106.7 . . ?
Cl10 C164 Cl12 112.6(9) . . ?
Cl10 C164 Cl11 111.5(8) . . ?
Cl12 C164 Cl11 108.2(8) . . ?
Cl10 C164 H66 108.1 . . ?
Cl12 C164 H66 108.1 . . ?
Cl11 C164 H66 108.1 . . ?
N1 Ni1 N2 90.3(2) . . ?
N1 Ni1 N3 178.4(3) . . ?
N2 Ni1 N3 89.7(2) . . ?
N1 Ni1 N4 89.6(2) . . ?
N2 Ni1 N4 179.2(3) . . ?
N3 Ni1 N4 90.3(2) . . ?
N6 Ni2 N5 89.5(2) . . ?
N6 Ni2 N7 89.9(2) . . ?
N5 Ni2 N7 178.3(3) . . ?
N6 Ni2 N8 176.7(3) . . ?
N5 Ni2 N8 91.0(2) . . ?
N7 Ni2 N8 89.7(2) . . ?
C1 N1 C4 103.9(6) . . ?
C1 N1 Ni1 128.5(5) . . ?
C4 N1 Ni1 127.2(5) . . ?
C9 N2 C6 105.5(6) . . ?
C9 N2 Ni1 127.5(5) . . ?
C6 N2 Ni1 127.0(5) . . ?
C11 N3 C14 106.2(6) . . ?
C11 N3 Ni1 127.3(5) . . ?
C14 N3 Ni1 126.2(5) . . ?
C19 N4 C16 105.6(6) . . ?
C19 N4 Ni1 127.6(5) . . ?
C16 N4 Ni1 126.8(5) . . ?
C21 N5 C24 104.9(5) . . ?
C21 N5 Ni2 126.8(5) . . ?
C24 N5 Ni2 128.3(5) . . ?
C26 N6 C29 106.3(6) . . ?
C26 N6 Ni2 126.9(5) . . ?
C29 N6 Ni2 126.8(5) . . ?
C34 N7 C31 106.1(5) . . ?
C34 N7 Ni2 127.4(5) . . ?
C31 N7 Ni2 126.5(5) . . ?
C36 N8 C39 106.5(6) . . ?
C36 N8 Ni2 127.1(5) . . ?
C39 N8 Ni2 126.3(5) . . ?
C22 Pt1 C2 159.0(3) . . ?
C22 Pt1 P2 92.74(18) . . ?
C2 Pt1 P2 91.2(2) . . ?
C22 Pt1 P1 92.73(18) . . ?
C2 Pt1 P1 89.2(2) . . ?
P2 Pt1 P1 163.81(7) . . ?
C125 P1 C131 108.1(3) . . ?
C125 P1 C137 105.5(3) . . ?
C131 P1 C137 97.6(3) . . ?
C125 P1 Pt1 112.2(2) . . ?
C131 P1 Pt1 112.4(3) . . ?
C137 P1 Pt1 119.7(3) . . ?
C149 P2 C155 103.3(4) . . ?
C149 P2 C143 102.7(4) . . ?
C155 P2 C143 104.6(4) . . ?
C149 P2 Pt1 122.4(3) . . ?
C155 P2 Pt1 116.5(3) . . ?
C143 P2 Pt1 105.2(3) . . ?
Cl14 C165 Cl15 108.7(14) . . ?
Cl14 C165 Cl13 107.5(14) . . ?
Cl15 C165 Cl13 106.8(13) . . ?
Cl14 C165 H67 111.2 . . ?
Cl15 C165 H67 111.2 . . ?
Cl13 C165 H67 111.2 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -0.8(9) . . . . ?
C20 C1 C2 C3 -169.5(7) . . . . ?
N1 C1 C2 Pt1 168.6(5) . . . . ?
C20 C1 C2 Pt1 -0.1(10) . . . . ?
C1 C2 C3 C4 -3.1(8) . . . . ?
Pt1 C2 C3 C4 -168.8(6) . . . . ?
C2 C3 C4 C5 -168.5(7) . . . . ?
C2 C3 C4 N1 6.2(9) . . . . ?
N1 C4 C5 C6 -3.0(12) . . . . ?
C3 C4 C5 C6 171.0(8) . . . . ?
N1 C4 C5 C41 -176.9(7) . . . . ?
C3 C4 C5 C41 -3.0(12) . . . . ?
C4 C5 C6 N2 10.7(12) . . . . ?
C41 C5 C6 N2 -175.3(7) . . . . ?
C4 C5 C6 C7 -163.2(8) . . . . ?
C41 C5 C6 C7 10.8(12) . . . . ?
N2 C6 C7 C8 -1.8(10) . . . . ?
C5 C6 C7 C8 172.9(8) . . . . ?
C6 C7 C8 C9 3.0(10) . . . . ?
C7 C8 C9 N2 -3.3(10) . . . . ?
C7 C8 C9 C10 168.1(8) . . . . ?
N2 C9 C10 C11 8.1(13) . . . . ?
C8 C9 C10 C11 -162.1(8) . . . . ?
N2 C9 C10 C55 -175.4(7) . . . . ?
C8 C9 C10 C55 14.4(12) . . . . ?
C9 C10 C11 N3 -13.7(13) . . . . ?
C55 C10 C11 N3 170.0(8) . . . . ?
C9 C10 C11 C12 161.9(8) . . . . ?
C55 C10 C11 C12 -14.5(13) . . . . ?
N3 C11 C12 C13 6.0(10) . . . . ?
C10 C11 C12 C13 -170.2(8) . . . . ?
C11 C12 C13 C14 -5.5(10) . . . . ?
C12 C13 C14 C15 -170.2(8) . . . . ?
C12 C13 C14 N3 3.4(10) . . . . ?
N3 C14 C15 C16 -8.0(13) . . . . ?
C13 C14 C15 C16 164.5(8) . . . . ?
N3 C14 C15 C69 175.1(8) . . . . ?
C13 C14 C15 C69 -12.4(13) . . . . ?
C14 C15 C16 N4 9.3(13) . . . . ?
C69 C15 C16 N4 -173.8(7) . . . . ?
C14 C15 C16 C17 -163.1(8) . . . . ?
C69 C15 C16 C17 13.7(13) . . . . ?
C15 C16 C17 C18 170.4(8) . . . . ?
N4 C16 C17 C18 -2.9(9) . . . . ?
C16 C17 C18 C19 3.1(9) . . . . ?
C16 C17 C18 C38 -178.0(7) . . . . ?
C17 C18 C19 C20 168.2(8) . . . . ?
C38 C18 C19 C20 -10.5(14) . . . . ?
C17 C18 C19 N4 -2.3(9) . . . . ?
C38 C18 C19 N4 178.9(8) . . . . ?
N4 C19 C20 C1 16.5(12) . . . . ?
C18 C19 C20 C1 -153.0(8) . . . . ?
N1 C1 C20 C19 -21.0(12) . . . . ?
C2 C1 C20 C19 146.5(8) . . . . ?
N5 C21 C22 C23 2.5(8) . . . . ?
C40 C21 C22 C23 -165.4(7) . . . . ?
N5 C21 C22 Pt1 164.0(5) . . . . ?
C40 C21 C22 Pt1 -3.9(9) . . . . ?
C21 C22 C23 C24 -4.0(7) . . . . ?
Pt1 C22 C23 C24 -159.2(5) . . . . ?
C22 C23 C24 N5 4.5(8) . . . . ?
C22 C23 C24 C25 -172.3(7) . . . . ?
N5 C24 C25 C26 -11.5(11) . . . . ?
C23 C24 C25 C26 164.9(7) . . . . ?
N5 C24 C25 C83 174.0(7) . . . . ?
C23 C24 C25 C83 -9.7(11) . . . . ?
C24 C25 C26 N6 9.1(11) . . . . ?
C83 C25 C26 N6 -176.2(7) . . . . ?
C24 C25 C26 C27 -158.6(7) . . . . ?
C83 C25 C26 C27 16.1(11) . . . . ?
N6 C26 C27 C28 -3.9(9) . . . . ?
C25 C26 C27 C28 165.5(7) . . . . ?
C26 C27 C28 C29 4.3(9) . . . . ?
C27 C28 C29 C30 170.3(8) . . . . ?
C27 C28 C29 N6 -3.3(9) . . . . ?
N6 C29 C30 C31 10.4(12) . . . . ?
C28 C29 C30 C31 -162.1(8) . . . . ?
N6 C29 C30 C97 -171.3(7) . . . . ?
C28 C29 C30 C97 16.2(12) . . . . ?
C29 C30 C31 N7 -7.9(12) . . . . ?
C97 C30 C31 N7 173.9(7) . . . . ?
C29 C30 C31 C32 160.5(8) . . . . ?
C97 C30 C31 C32 -17.7(12) . . . . ?
N7 C31 C32 C33 3.0(9) . . . . ?
C30 C31 C32 C33 -166.8(8) . . . . ?
C31 C32 C33 C34 -2.3(9) . . . . ?
C32 C33 C34 N7 0.8(9) . . . . ?
C32 C33 C34 C35 -167.8(8) . . . . ?
N7 C34 C35 C36 -7.8(13) . . . . ?
C33 C34 C35 C36 159.2(8) . . . . ?
N7 C34 C35 C111 179.6(7) . . . . ?
C33 C34 C35 C111 -13.4(12) . . . . ?
C34 C35 C36 N8 7.3(13) . . . . ?
C111 C35 C36 N8 179.9(7) . . . . ?
C34 C35 C36 C37 -166.3(8) . . . . ?
C111 C35 C36 C37 6.3(12) . . . . ?
N8 C36 C37 C38 -4.8(10) . . . . ?
C35 C36 C37 C38 169.7(8) . . . . ?
C36 C37 C38 C39 4.0(9) . . . . ?
C36 C37 C38 C18 -175.4(7) . . . . ?
C17 C18 C38 C37 41.3(12) . . . . ?
C19 C18 C38 C37 -140.2(9) . . . . ?
C17 C18 C38 C39 -138.0(9) . . . . ?
C19 C18 C38 C39 40.6(15) . . . . ?
C37 C38 C39 C40 174.7(8) . . . . ?
C18 C38 C39 C40 -6.0(14) . . . . ?
C37 C38 C39 N8 -2.1(9) . . . . ?
C18 C38 C39 N8 177.2(8) . . . . ?
N8 C39 C40 C21 17.8(12) . . . . ?
C38 C39 C40 C21 -158.6(8) . . . . ?
N5 C21 C40 C39 -12.5(12) . . . . ?
C22 C21 C40 C39 154.2(7) . . . . ?
C4 C5 C41 C46 -120.4(8) . . . . ?
C6 C5 C41 C46 65.5(10) . . . . ?
C4 C5 C41 C42 57.9(10) . . . . ?
C6 C5 C41 C42 -116.2(8) . . . . ?
C46 C41 C42 C43 0.1(11) . . . . ?
C5 C41 C42 C43 -178.2(7) . . . . ?
C41 C42 C43 C44 0.4(12) . . . . ?
C41 C42 C43 C47 180.0(8) . . . . ?
C42 C43 C44 C45 -1.4(12) . . . . ?
C47 C43 C44 C45 179.1(8) . . . . ?
C43 C44 C45 C46 1.7(12) . . . . ?
C43 C44 C45 C51 -177.2(7) . . . . ?
C44 C45 C46 C41 -1.2(11) . . . . ?
C51 C45 C46 C41 177.8(7) . . . . ?
C42 C41 C46 C45 0.2(11) . . . . ?
C5 C41 C46 C45 178.6(7) . . . . ?
C42 C43 C47 C48 -17.9(19) . . . . ?
C44 C43 C47 C48 161.6(16) . . . . ?
C42 C43 C47 C49 123.5(13) . . . . ?
C44 C43 C47 C49 -56.9(16) . . . . ?
C42 C43 C47 C50 -126.3(10) . . . . ?
C44 C43 C47 C50 53.2(11) . . . . ?
C46 C45 C51 C53 180.0(8) . . . . ?
C44 C45 C51 C53 -1.0(11) . . . . ?
C46 C45 C51 C52 -58.8(9) . . . . ?
C44 C45 C51 C52 120.2(8) . . . . ?
C46 C45 C51 C54 59.8(10) . . . . ?
C44 C45 C51 C54 -121.2(8) . . . . ?
C9 C10 C55 C60 64.1(11) . . . . ?
C11 C10 C55 C60 -119.5(9) . . . . ?
C9 C10 C55 C56 -115.5(9) . . . . ?
C11 C10 C55 C56 61.0(11) . . . . ?
C60 C55 C56 C57 3.8(12) . . . . ?
C10 C55 C56 C57 -176.7(7) . . . . ?
C55 C56 C57 C58 -3.3(12) . . . . ?
C55 C56 C57 C61 178.8(7) . . . . ?
C56 C57 C58 C59 1.9(12) . . . . ?
C61 C57 C58 C59 179.8(8) . . . . ?
C57 C58 C59 C60 -1.1(13) . . . . ?
C57 C58 C59 C65 -179.2(9) . . . . ?
C56 C55 C60 C59 -2.9(13) . . . . ?
C10 C55 C60 C59 177.5(8) . . . . ?
C58 C59 C60 C55 1.5(13) . . . . ?
C65 C59 C60 C55 179.7(9) . . . . ?
C58 C57 C61 C62 0.4(12) . . . . ?
C56 C57 C61 C62 178.2(8) . . . . ?
C58 C57 C61 C64 120.9(10) . . . . ?
C56 C57 C61 C64 -61.3(11) . . . . ?
C58 C57 C61 C63 -118.3(9) . . . . ?
C56 C57 C61 C63 59.6(10) . . . . ?
C60 C59 C65 C66 60.1(12) . . . . ?
C58 C59 C65 C66 -121.8(10) . . . . ?
C60 C59 C65 C68 -61.7(12) . . . . ?
C58 C59 C65 C68 116.4(10) . . . . ?
C60 C59 C65 C67 178.3(10) . . . . ?
C58 C59 C65 C67 -3.6(15) . . . . ?
C16 C15 C69 C74 -106.4(9) . . . . ?
C14 C15 C69 C74 70.5(10) . . . . ?
C16 C15 C69 C70 73.3(10) . . . . ?
C14 C15 C69 C70 -109.7(9) . . . . ?
C74 C69 C70 C71 -0.6(15) . . . . ?
C15 C69 C70 C71 179.6(10) . . . . ?
C69 C70 C71 C72 -1.6(17) . . . . ?
C69 C70 C71 C79 179.1(11) . . . . ?
C70 C71 C72 C73 2.2(17) . . . . ?
C79 C71 C72 C73 -178.6(12) . . . . ?
C71 C72 C73 C74 -0.5(14) . . . . ?
C71 C72 C73 C75 -176.7(10) . . . . ?
C70 C69 C74 C73 2.4(12) . . . . ?
C15 C69 C74 C73 -177.9(7) . . . . ?
C72 C73 C74 C69 -1.8(11) . . . . ?
C75 C73 C74 C69 174.5(7) . . . . ?
C74 C73 C75 C78 164.6(8) . . . . ?
C72 C73 C75 C78 -19.2(13) . . . . ?
C74 C73 C75 C76 43.6(11) . . . . ?
C72 C73 C75 C76 -140.2(9) . . . . ?
C74 C73 C75 C77 -76.0(10) . . . . ?
C72 C73 C75 C77 100.2(10) . . . . ?
C70 C71 C79 C81 -176.5(15) . . . . ?
C72 C71 C79 C81 4(2) . . . . ?
C70 C71 C79 C80 49.7(19) . . . . ?
C72 C71 C79 C80 -129.6(14) . . . . ?
C70 C71 C79 C82 -63.5(16) . . . . ?
C72 C71 C79 C82 117.2(14) . . . . ?
C26 C25 C83 C84 -119.3(8) . . . . ?
C24 C25 C83 C84 55.4(10) . . . . ?
C26 C25 C83 C88 55.6(9) . . . . ?
C24 C25 C83 C88 -129.7(7) . . . . ?
C88 C83 C84 C85 3.2(11) . . . . ?
C25 C83 C84 C85 178.1(7) . . . . ?
C83 C84 C85 C86 -1.2(11) . . . . ?
C83 C84 C85 C89 -179.6(7) . . . . ?
C84 C85 C86 C87 -1.5(11) . . . . ?
C89 C85 C86 C87 177.0(7) . . . . ?
C85 C86 C87 C88 2.0(11) . . . . ?
C85 C86 C87 C93 -179.4(7) . . . . ?
C86 C87 C88 C83 0.1(10) . . . . ?
C93 C87 C88 C83 -178.5(6) . . . . ?
C84 C83 C88 C87 -2.6(10) . . . . ?
C25 C83 C88 C87 -177.7(6) . . . . ?
C86 C85 C89 C90 -119.1(9) . . . . ?
C84 C85 C89 C90 59.3(10) . . . . ?
C86 C85 C89 C91 1.3(12) . . . . ?
C84 C85 C89 C91 179.8(8) . . . . ?
C86 C85 C89 C92 121.8(8) . . . . ?
C84 C85 C89 C92 -59.7(10) . . . . ?
C88 C87 C93 C96 -4.7(10) . . . . ?
C86 C87 C93 C96 176.8(7) . . . . ?
C88 C87 C93 C95 -125.2(7) . . . . ?
C86 C87 C93 C95 56.2(9) . . . . ?
C88 C87 C93 C94 114.8(8) . . . . ?
C86 C87 C93 C94 -63.8(9) . . . . ?
C29 C30 C97 C102 103.2(9) . . . . ?
C31 C30 C97 C102 -78.5(9) . . . . ?
C29 C30 C97 C98 -68.2(10) . . . . ?
C31 C30 C97 C98 110.1(9) . . . . ?
C102 C97 C98 C99 -2.9(12) . . . . ?
C30 C97 C98 C99 168.3(7) . . . . ?
C97 C98 C99 C100 1.8(11) . . . . ?
C97 C98 C99 C103 -174.5(8) . . . . ?
C98 C99 C100 C101 -1.0(13) . . . . ?
C103 C99 C100 C101 175.4(8) . . . . ?
C99 C100 C101 C102 1.2(13) . . . . ?
C99 C100 C101 C107 -174.3(8) . . . . ?
C98 C97 C102 C101 3.1(12) . . . . ?
C30 C97 C102 C101 -168.3(7) . . . . ?
C100 C101 C102 C97 -2.2(12) . . . . ?
C107 C101 C102 C97 173.3(8) . . . . ?
C100 C99 C103 C106 52.1(11) . . . . ?
C98 C99 C103 C106 -131.7(9) . . . . ?
C100 C99 C103 C104 -68.3(11) . . . . ?
C98 C99 C103 C104 107.9(10) . . . . ?
C100 C99 C103 C105 173.2(8) . . . . ?
C98 C99 C103 C105 -10.7(12) . . . . ?
C100 C101 C107 C110 -53.0(13) . . . . ?
C102 C101 C107 C110 131.6(10) . . . . ?
C100 C101 C107 C109 -173.4(9) . . . . ?
C102 C101 C107 C109 11.2(12) . . . . ?
C100 C101 C107 C108 66.9(12) . . . . ?
C102 C101 C107 C108 -108.5(11) . . . . ?
C36 C35 C111 C116 104.9(10) . . . . ?
C34 C35 C111 C116 -82.3(10) . . . . ?
C36 C35 C111 C112 -74.3(10) . . . . ?
C34 C35 C111 C112 98.5(9) . . . . ?
C116 C111 C112 C113 -1.6(12) . . . . ?
C35 C111 C112 C113 177.6(7) . . . . ?
C111 C112 C113 C114 0.2(11) . . . . ?
C111 C112 C113 C117 178.2(8) . . . . ?
C112 C113 C114 C115 1.7(12) . . . . ?
C117 C113 C114 C115 -176.1(9) . . . . ?
C113 C114 C115 C116 -2.2(15) . . . . ?
C113 C114 C115 C121 179.0(10) . . . . ?
C114 C115 C116 C111 0.9(15) . . . . ?
C121 C115 C116 C111 179.6(10) . . . . ?
C112 C111 C116 C115 1.0(14) . . . . ?
C35 C111 C116 C115 -178.2(8) . . . . ?
C114 C113 C117 C120 -8.8(14) . . . . ?
C112 C113 C117 C120 173.4(9) . . . . ?
C114 C113 C117 C119 -130.0(10) . . . . ?
C112 C113 C117 C119 52.2(13) . . . . ?
C114 C113 C117 C118 111.1(11) . . . . ?
C112 C113 C117 C118 -66.7(10) . . . . ?
C116 C115 C121 C124 146.9(14) . . . . ?
C114 C115 C121 C124 -34.4(18) . . . . ?
C116 C115 C121 C122 -93.4(15) . . . . ?
C114 C115 C121 C122 85.3(15) . . . . ?
C116 C115 C121 C123 23.3(18) . . . . ?
C114 C115 C121 C123 -158.0(14) . . . . ?
C130 C125 C126 C127 -1.6(14) . . . . ?
P1 C125 C126 C127 -170.0(8) . . . . ?
C125 C126 C127 C128 1.2(17) . . . . ?
C126 C127 C128 C129 -1.1(18) . . . . ?
C127 C128 C129 C130 1.5(16) . . . . ?
C128 C129 C130 C125 -2.0(14) . . . . ?
C126 C125 C130 C129 2.0(12) . . . . ?
P1 C125 C130 C129 170.4(6) . . . . ?
C136 C131 C132 C133 2.6(12) . . . . ?
P1 C131 C132 C133 -178.9(7) . . . . ?
C131 C132 C133 C134 -2.1(14) . . . . ?
C132 C133 C134 C135 0.1(14) . . . . ?
C133 C134 C135 C136 1.3(14) . . . . ?
C134 C135 C136 C131 -0.7(14) . . . . ?
C132 C131 C136 C135 -1.3(12) . . . . ?
P1 C131 C136 C135 -179.9(7) . . . . ?
C142 C137 C138 C139 0.2(11) . . . . ?
P1 C137 C138 C139 -172.7(6) . . . . ?
C137 C138 C139 C140 1.0(12) . . . . ?
C138 C139 C140 C141 -1.0(12) . . . . ?
C139 C140 C141 C142 -0.3(12) . . . . ?
C140 C141 C142 C137 1.5(12) . . . . ?
C138 C137 C142 C141 -1.5(11) . . . . ?
P1 C137 C142 C141 171.3(6) . . . . ?
C148 C143 C144 C145 0.8(15) . . . . ?
P2 C143 C144 C145 -178.8(8) . . . . ?
C143 C144 C145 C146 -1.9(17) . . . . ?
C144 C145 C146 C147 2.6(18) . . . . ?
C145 C146 C147 C148 -2.2(18) . . . . ?
C146 C147 C148 C143 1.1(17) . . . . ?
C144 C143 C148 C147 -0.5(15) . . . . ?
P2 C143 C148 C147 179.2(8) . . . . ?
C154 C149 C150 C151 0.1(13) . . . . ?
P2 C149 C150 C151 -179.2(8) . . . . ?
C149 C150 C151 C152 0.0(16) . . . . ?
C150 C151 C152 C153 -1.0(18) . . . . ?
C151 C152 C153 C154 1.9(17) . . . . ?
C152 C153 C154 C149 -1.9(16) . . . . ?
C150 C149 C154 C153 0.8(13) . . . . ?
P2 C149 C154 C153 -179.8(8) . . . . ?
C160 C155 C156 C157 -2.4(15) . . . . ?
P2 C155 C156 C157 171.0(8) . . . . ?
C155 C156 C157 C158 2.7(17) . . . . ?
C156 C157 C158 C159 -0.9(17) . . . . ?
C157 C158 C159 C160 -1.3(16) . . . . ?
C156 C155 C160 C159 0.3(14) . . . . ?
P2 C155 C160 C159 -173.5(7) . . . . ?
C158 C159 C160 C155 1.6(14) . . . . ?
C20 C1 N1 C4 173.3(7) . . . . ?
C2 C1 N1 C4 4.4(8) . . . . ?
C20 C1 N1 Ni1 0.2(11) . . . . ?
C2 C1 N1 Ni1 -168.6(5) . . . . ?
C5 C4 N1 C1 168.4(7) . . . . ?
C3 C4 N1 C1 -6.3(8) . . . . ?
C5 C4 N1 Ni1 -18.4(11) . . . . ?
C3 C4 N1 Ni1 166.8(5) . . . . ?
N2 Ni1 N1 C1 -164.7(7) . . . . ?
N3 Ni1 N1 C1 103(8) . . . . ?
N4 Ni1 N1 C1 16.1(7) . . . . ?
N2 Ni1 N1 C4 23.8(6) . . . . ?
N3 Ni1 N1 C4 -68(8) . . . . ?
N4 Ni1 N1 C4 -155.4(6) . . . . ?
C10 C9 N2 C6 -169.3(8) . . . . ?
C8 C9 N2 C6 2.1(9) . . . . ?
C10 C9 N2 Ni1 12.8(12) . . . . ?
C8 C9 N2 Ni1 -175.8(5) . . . . ?
C5 C6 N2 C9 -174.9(8) . . . . ?
C7 C6 N2 C9 -0.2(9) . . . . ?
C5 C6 N2 Ni1 3.0(12) . . . . ?
C7 C6 N2 Ni1 177.7(6) . . . . ?
N1 Ni1 N2 C9 161.1(7) . . . . ?
N3 Ni1 N2 C9 -20.6(7) . . . . ?
N4 Ni1 N2 C9 -116(18) . . . . ?
N1 Ni1 N2 C6 -16.4(7) . . . . ?
N3 Ni1 N2 C6 161.9(7) . . . . ?
N4 Ni1 N2 C6 67(18) . . . . ?
C10 C11 N3 C14 172.4(8) . . . . ?
C12 C11 N3 C14 -3.8(9) . . . . ?
C10 C11 N3 Ni1 -1.9(12) . . . . ?
C12 C11 N3 Ni1 -178.0(6) . . . . ?
C15 C14 N3 C11 173.8(8) . . . . ?
C13 C14 N3 C11 0.3(9) . . . . ?
C15 C14 N3 Ni1 -11.8(12) . . . . ?
C13 C14 N3 Ni1 174.7(6) . . . . ?
N1 Ni1 N3 C11 107(8) . . . . ?
N2 Ni1 N3 C11 15.4(7) . . . . ?
N4 Ni1 N3 C11 -165.4(7) . . . . ?
N1 Ni1 N3 C14 -66(8) . . . . ?
N2 Ni1 N3 C14 -157.7(7) . . . . ?
N4 Ni1 N3 C14 21.5(7) . . . . ?
C20 C19 N4 C16 -170.4(8) . . . . ?
C18 C19 N4 C16 0.6(9) . . . . ?
C20 C19 N4 Ni1 8.3(11) . . . . ?
C18 C19 N4 Ni1 179.2(5) . . . . ?
C15 C16 N4 C19 -172.2(8) . . . . ?
C17 C16 N4 C19 1.3(9) . . . . ?
C15 C16 N4 Ni1 9.2(12) . . . . ?
C17 C16 N4 Ni1 -177.3(5) . . . . ?
N1 Ni1 N4 C19 -20.3(7) . . . . ?
N2 Ni1 N4 C19 -104(18) . . . . ?
N3 Ni1 N4 C19 161.3(7) . . . . ?
N1 Ni1 N4 C16 158.0(7) . . . . ?
N2 Ni1 N4 C16 75(18) . . . . ?
N3 Ni1 N4 C16 -20.3(7) . . . . ?
C40 C21 N5 C24 167.9(7) . . . . ?
C22 C21 N5 C24 0.1(8) . . . . ?
C40 C21 N5 Ni2 -11.3(10) . . . . ?
C22 C21 N5 Ni2 -179.1(5) . . . . ?
C25 C24 N5 C21 174.2(7) . . . . ?
C23 C24 N5 C21 -2.7(8) . . . . ?
C25 C24 N5 Ni2 -6.6(10) . . . . ?
C23 C24 N5 Ni2 176.5(5) . . . . ?
N6 Ni2 N5 C21 -162.0(6) . . . . ?
N7 Ni2 N5 C21 -92(9) . . . . ?
N8 Ni2 N5 C21 21.3(6) . . . . ?
N6 Ni2 N5 C24 19.0(6) . . . . ?
N7 Ni2 N5 C24 89(9) . . . . ?
N8 Ni2 N5 C24 -157.7(6) . . . . ?
C25 C26 N6 C29 -167.1(7) . . . . ?
C27 C26 N6 C29 1.8(8) . . . . ?
C25 C26 N6 Ni2 11.4(11) . . . . ?
C27 C26 N6 Ni2 -179.6(5) . . . . ?
C30 C29 N6 C26 -172.7(8) . . . . ?
C28 C29 N6 C26 0.9(8) . . . . ?
C30 C29 N6 Ni2 8.7(11) . . . . ?
C28 C29 N6 Ni2 -177.7(5) . . . . ?
N5 Ni2 N6 C26 -21.0(6) . . . . ?
N7 Ni2 N6 C26 160.5(6) . . . . ?
N8 Ni2 N6 C26 78(4) . . . . ?
N5 Ni2 N6 C29 157.2(6) . . . . ?
N7 Ni2 N6 C29 -21.2(6) . . . . ?
N8 Ni2 N6 C29 -103(4) . . . . ?
C35 C34 N7 C31 169.7(7) . . . . ?
C33 C34 N7 C31 1.1(9) . . . . ?
C35 C34 N7 Ni2 -9.5(11) . . . . ?
C33 C34 N7 Ni2 -178.1(5) . . . . ?
C30 C31 N7 C34 167.3(7) . . . . ?
C32 C31 N7 C34 -2.5(9) . . . . ?
C30 C31 N7 Ni2 -13.5(11) . . . . ?
C32 C31 N7 Ni2 176.7(5) . . . . ?
N6 Ni2 N7 C34 -157.6(7) . . . . ?
N5 Ni2 N7 C34 133(9) . . . . ?
N8 Ni2 N7 C34 19.1(7) . . . . ?
N6 Ni2 N7 C31 23.4(6) . . . . ?
N5 Ni2 N7 C31 -46(9) . . . . ?
N8 Ni2 N7 C31 -159.9(6) . . . . ?
C35 C36 N8 C39 -171.1(8) . . . . ?
C37 C36 N8 C39 3.4(9) . . . . ?
C35 C36 N8 Ni2 10.4(12) . . . . ?
C37 C36 N8 Ni2 -175.2(5) . . . . ?
C40 C39 N8 C36 -177.7(8) . . . . ?
C38 C39 N8 C36 -0.8(9) . . . . ?
C40 C39 N8 Ni2 0.8(11) . . . . ?
C38 C39 N8 Ni2 177.7(5) . . . . ?
N6 Ni2 N8 C36 63(4) . . . . ?
N5 Ni2 N8 C36 162.0(7) . . . . ?
N7 Ni2 N8 C36 -19.5(7) . . . . ?
N6 Ni2 N8 C39 -115(4) . . . . ?
N5 Ni2 N8 C39 -16.2(6) . . . . ?
N7 Ni2 N8 C39 162.2(6) . . . . ?
C23 C22 Pt1 C2 143.1(8) . . . . ?
C21 C22 Pt1 C2 -9.6(11) . . . . ?
C23 C22 Pt1 P2 42.6(7) . . . . ?
C21 C22 Pt1 P2 -110.0(5) . . . . ?
C23 C22 Pt1 P1 -122.2(7) . . . . ?
C21 C22 Pt1 P1 85.2(5) . . . . ?
C3 C2 Pt1 C22 154.0(7) . . . . ?
C1 C2 Pt1 C22 -10.5(12) . . . . ?
C3 C2 Pt1 P2 -105.2(8) . . . . ?
C1 C2 Pt1 P2 90.2(6) . . . . ?
C3 C2 Pt1 P1 58.6(8) . . . . ?
C1 C2 Pt1 P1 -106.0(6) . . . . ?
C130 C125 P1 C131 60.1(7) . . . . ?
C126 C125 P1 C131 -131.5(7) . . . . ?
C130 C125 P1 C137 163.8(6) . . . . ?
C126 C125 P1 C137 -27.9(7) . . . . ?
C130 C125 P1 Pt1 -64.3(6) . . . . ?
C126 C125 P1 Pt1 104.0(7) . . . . ?
C136 C131 P1 C125 -178.4(6) . . . . ?
C132 C131 P1 C125 3.0(8) . . . . ?
C136 C131 P1 C137 72.4(7) . . . . ?
C132 C131 P1 C137 -106.1(7) . . . . ?
C136 C131 P1 Pt1 -54.1(6) . . . . ?
C132 C131 P1 Pt1 127.4(6) . . . . ?
C138 C137 P1 C125 -48.5(6) . . . . ?
C142 C137 P1 C125 138.8(6) . . . . ?
C138 C137 P1 C131 62.8(6) . . . . ?
C142 C137 P1 C131 -109.9(6) . . . . ?
C138 C137 P1 Pt1 -175.9(5) . . . . ?
C142 C137 P1 Pt1 11.3(7) . . . . ?
C22 Pt1 P1 C125 -82.0(3) . . . . ?
C2 Pt1 P1 C125 77.1(3) . . . . ?
P2 Pt1 P1 C125 168.4(3) . . . . ?
C22 Pt1 P1 C131 155.9(3) . . . . ?
C2 Pt1 P1 C131 -45.0(3) . . . . ?
P2 Pt1 P1 C131 46.3(4) . . . . ?
C22 Pt1 P1 C137 42.3(3) . . . . ?
C2 Pt1 P1 C137 -158.6(3) . . . . ?
P2 Pt1 P1 C137 -67.3(3) . . . . ?
C150 C149 P2 C155 7.3(8) . . . . ?
C154 C149 P2 C155 -172.0(7) . . . . ?
C150 C149 P2 C143 116.0(8) . . . . ?
C154 C149 P2 C143 -63.4(8) . . . . ?
C150 C149 P2 Pt1 -126.5(7) . . . . ?
C154 C149 P2 Pt1 54.1(7) . . . . ?
C156 C155 P2 C149 104.3(8) . . . . ?
C160 C155 P2 C149 -81.9(7) . . . . ?
C156 C155 P2 C143 -2.9(9) . . . . ?
C160 C155 P2 C143 170.9(7) . . . . ?
C156 C155 P2 Pt1 -118.6(7) . . . . ?
C160 C155 P2 Pt1 55.2(8) . . . . ?
C148 C143 P2 C149 162.8(8) . . . . ?
C144 C143 P2 C149 -17.5(9) . . . . ?
C148 C143 P2 C155 -89.5(8) . . . . ?
C144 C143 P2 C155 90.2(8) . . . . ?
C148 C143 P2 Pt1 33.8(8) . . . . ?
C144 C143 P2 Pt1 -146.5(7) . . . . ?
C22 Pt1 P2 C149 139.9(3) . . . . ?
C2 Pt1 P2 C149 -19.4(4) . . . . ?
P1 Pt1 P2 C149 -110.4(4) . . . . ?
C22 Pt1 P2 C155 11.6(4) . . . . ?
C2 Pt1 P2 C155 -147.8(4) . . . . ?
P1 Pt1 P2 C155 121.2(4) . . . . ?
C22 Pt1 P2 C143 -103.8(3) . . . . ?
C2 Pt1 P2 C143 96.8(4) . . . . ?
P1 Pt1 P2 C143 5.8(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.974
_diffrn_reflns_theta_full        64.00
_diffrn_measured_fraction_theta_full 0.974
_refine_diff_density_max         2.659
_refine_diff_density_min         -3.537
_refine_diff_density_rms         0.157
####################################################################### 
# 
# 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_150409ji
_database_code_depnum_ccdc_archive 'CCDC 1406343'
_audit_update_record             
;
2015-06-11 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
2-2-directly-linked Zn(II) diporphyrin
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C105.45 H110.34 N10 Zn2, C H Cl3, 0.554(C H3)'
_chemical_formula_sum            'C107 H113 Cl3 N10 Zn2'
_chemical_formula_weight         1776.20

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_Int_Tables_number      15

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

_cell_length_a                   31.530(10)
_cell_length_b                   8.731(2)
_cell_length_c                   36.552(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 113.582(11)
_cell_angle_gamma                90.00
_cell_volume                     9222(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    2390
_cell_measurement_theta_min      31.4
_cell_measurement_theta_max      68.2

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3744
_exptl_absorpt_coefficient_mu    1.853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6544
_exptl_absorpt_correction_T_max  0.9639
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.8140
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            28669
_diffrn_reflns_av_R_equivalents  0.0584
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         6.61
_diffrn_reflns_theta_max         65.99
_reflns_number_total             7874
_reflns_number_gt                5876
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1030P)²+8.7305P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7874
_refine_ls_number_parameters     697
_refine_ls_number_restraints     303
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0553
_refine_ls_wR_factor_ref         0.1642
_refine_ls_wR_factor_gt          0.1470
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.12882(12) 0.4742(4) 0.30929(10) 0.0458(8) Uani 1 1 d . . .
C2 C 0.15968(13) 0.5455(4) 0.29448(10) 0.0528(9) Uani 1 1 d . . .
H1 H 0.1547 0.5586 0.2673 0.063 Uiso 1 1 calc R . .
C3 C 0.19734(12) 0.5906(4) 0.32661(10) 0.0474(8) Uani 1 1 d . . .
H2 H 0.2239 0.6406 0.3263 0.057 Uiso 1 1 calc R . .
C4 C 0.18936(11) 0.5483(4) 0.36155(9) 0.0396(7) Uani 1 1 d . . .
C5 C 0.21906(10) 0.5818(4) 0.40091(9) 0.0379(7) Uani 1 1 d . . .
C6 C 0.21140(10) 0.5373(4) 0.43461(9) 0.0392(7) Uani 1 1 d . . .
C7 C 0.23915(11) 0.5817(4) 0.47496(10) 0.0455(8) Uani 1 1 d . . .
H3 H 0.2675 0.6369 0.4838 0.055 Uiso 1 1 calc R . .
C8 C 0.21806(12) 0.5316(4) 0.49785(10) 0.0494(9) Uani 1 1 d . . .
H4 H 0.2287 0.5441 0.5259 0.059 Uiso 1 1 calc R . .
C9 C 0.17662(11) 0.4558(4) 0.47246(9) 0.0420(8) Uani 1 1 d . . .
C10 C 0.14325(11) 0.3976(4) 0.48463(10) 0.0422(7) Uani 1 1 d . . .
H24 H 0.1506 0.4019 0.5125 0.051 Uiso 1 1 calc R . .
C11 C 0.10061(10) 0.3341(4) 0.46132(10) 0.0386(7) Uani 1 1 d . . .
C12 C 0.06805(11) 0.2719(4) 0.47549(10) 0.0432(8) Uani 1 1 d . . .
H5 H 0.0710 0.2703 0.5024 0.052 Uiso 1 1 calc R . .
C13 C 0.03239(11) 0.2158(4) 0.44350(10) 0.0420(7) Uani 1 1 d . . .
H6 H 0.0058 0.1655 0.4437 0.050 Uiso 1 1 calc R . .
C14 C 0.04223(10) 0.2464(4) 0.40914(9) 0.0378(7) Uani 1 1 d . . .
C15 C 0.01307(10) 0.2127(4) 0.36968(10) 0.0392(7) Uani 1 1 d . . .
C16 C 0.02024(10) 0.2612(4) 0.33613(10) 0.0401(7) Uani 1 1 d . . .
C17 C -0.01050(11) 0.2315(4) 0.29522(10) 0.0449(8) Uani 1 1 d . . .
H7 H -0.0394 0.1797 0.2865 0.054 Uiso 1 1 calc R . .
C18 C 0.00886(11) 0.2900(4) 0.27179(10) 0.0449(8) Uani 1 1 d . . .
C19 C 0.05308(11) 0.3550(4) 0.29806(10) 0.0441(8) Uani 1 1 d . . .
C20 C 0.08501(12) 0.4181(4) 0.28535(10) 0.0499(9) Uani 1 1 d . . .
H25 H 0.0762 0.4240 0.2573 0.060 Uiso 1 1 calc R . .
C21 C 0.25934(11) 0.6842(4) 0.40695(9) 0.0383(7) Uani 1 1 d . . .
C22 C 0.30476(11) 0.6393(4) 0.42934(9) 0.0398(7) Uani 1 1 d . . .
H8 H 0.3108 0.5394 0.4406 0.048 Uiso 1 1 calc R . .
C23 C 0.34174(11) 0.7392(4) 0.43553(9) 0.0393(7) Uani 1 1 d . . .
C24 C 0.33188(11) 0.8819(4) 0.41760(10) 0.0418(7) Uani 1 1 d . . .
H9 H 0.3568 0.9491 0.4209 0.050 Uiso 1 1 calc R . .
C25 C 0.28695(11) 0.9311(4) 0.39487(10) 0.0414(7) Uani 1 1 d . A .
C26 C 0.25094(11) 0.8303(4) 0.39026(10) 0.0396(7) Uani 1 1 d . . .
H10 H 0.2199 0.8619 0.3754 0.048 Uiso 1 1 calc R . .
C27 C 0.27690(12) 1.0874(4) 0.37388(14) 0.0579(10) Uani 1 1 d U . .
C28 C 0.2245(2) 1.1241(7) 0.3504(2) 0.0653(18) Uani 0.723(7) 1 d PU A 3
H26 H 0.2212 1.2163 0.3342 0.098 Uiso 0.723(7) 1 calc PR A 3
H27 H 0.2100 1.1415 0.3694 0.098 Uiso 0.723(7) 1 calc PR A 3
H28 H 0.2093 1.0377 0.3330 0.098 Uiso 0.723(7) 1 calc PR A 3
C29 C 0.2939(2) 1.0743(7) 0.33768(19) 0.0683(18) Uani 0.723(7) 1 d PU A 3
H29 H 0.2752 0.9972 0.3185 0.102 Uiso 0.723(7) 1 calc PR A 3
H30 H 0.3265 1.0441 0.3483 0.102 Uiso 0.723(7) 1 calc PR A 3
H31 H 0.2901 1.1737 0.3243 0.102 Uiso 0.723(7) 1 calc PR A 3
C30 C 0.3000(3) 1.2136(7) 0.39942(19) 0.076(2) Uani 0.723(7) 1 d PU A 3
H32 H 0.2937 1.3082 0.3837 0.115 Uiso 0.723(7) 1 calc PR A 3
H33 H 0.3334 1.1945 0.4114 0.115 Uiso 0.723(7) 1 calc PR A 3
H34 H 0.2886 1.2242 0.4206 0.115 Uiso 0.723(7) 1 calc PR A 3
C31 C 0.39117(11) 0.6858(4) 0.46171(10) 0.0440(8) Uani 1 1 d . . .
C32 C 0.42690(12) 0.8117(5) 0.46691(12) 0.0540(9) Uani 1 1 d . . .
H35 H 0.4190 0.9026 0.4786 0.081 Uiso 1 1 calc R . .
H36 H 0.4269 0.8380 0.4408 0.081 Uiso 1 1 calc R . .
H37 H 0.4577 0.7751 0.4846 0.081 Uiso 1 1 calc R . .
C33 C 0.40409(12) 0.5477(4) 0.44260(11) 0.0492(8) Uani 1 1 d . . .
H38 H 0.4353 0.5132 0.4598 0.074 Uiso 1 1 calc R . .
H39 H 0.4032 0.5768 0.4164 0.074 Uiso 1 1 calc R . .
H40 H 0.3820 0.4646 0.4394 0.074 Uiso 1 1 calc R . .
C34 C 0.39337(13) 0.6438(5) 0.50289(11) 0.0554(9) Uani 1 1 d . . .
H41 H 0.3709 0.5625 0.5003 0.083 Uiso 1 1 calc R . .
H42 H 0.3861 0.7342 0.5152 0.083 Uiso 1 1 calc R . .
H43 H 0.4246 0.6077 0.5197 0.083 Uiso 1 1 calc R . .
C35 C -0.02647(10) 0.1052(4) 0.36249(10) 0.0415(8) Uani 1 1 d . . .
C36 C -0.07214(11) 0.1441(4) 0.33933(10) 0.0425(7) Uani 1 1 d . . .
H11 H -0.0795 0.2465 0.3302 0.051 Uiso 1 1 calc R . .
C37 C -0.10730(11) 0.0359(4) 0.32935(10) 0.0450(8) Uani 1 1 d . B .
C38 C -0.09536(11) -0.1115(4) 0.34480(11) 0.0483(8) Uani 1 1 d . . .
H12 H -0.1191 -0.1862 0.3388 0.058 Uiso 1 1 calc R . .
C39 C -0.05003(12) -0.1535(4) 0.36870(12) 0.0481(8) Uani 1 1 d . . .
C40 C -0.01596(11) -0.0426(4) 0.37703(10) 0.0441(8) Uani 1 1 d . . .
H13 H 0.0153 -0.0686 0.3931 0.053 Uiso 1 1 calc R . .
C41 C -0.03778(14) -0.3139(5) 0.38676(16) 0.0685(12) Uani 1 1 d U . .
C42 C -0.06616(18) -0.4370(6) 0.3598(2) 0.104(2) Uani 1 1 d U . .
H44 H -0.0660 -0.4242 0.3332 0.156 Uiso 1 1 calc R . .
H45 H -0.0980 -0.4305 0.3578 0.156 Uiso 1 1 calc R . .
H46 H -0.0531 -0.5372 0.3706 0.156 Uiso 1 1 calc R . .
C43 C -0.0470(3) -0.3161(7) 0.4250(2) 0.126(3) Uani 1 1 d U . .
H47 H -0.0802 -0.3041 0.4181 0.189 Uiso 1 1 calc R . .
H48 H -0.0301 -0.2319 0.4425 0.189 Uiso 1 1 calc R . .
H49 H -0.0364 -0.4139 0.4389 0.189 Uiso 1 1 calc R . .
C44 C 0.01281(17) -0.3519(6) 0.3985(2) 0.110(2) Uani 1 1 d U . .
H50 H 0.0192 -0.4549 0.4101 0.165 Uiso 1 1 calc R . .
H51 H 0.0320 -0.2772 0.4181 0.165 Uiso 1 1 calc R . .
H52 H 0.0200 -0.3483 0.3747 0.165 Uiso 1 1 calc R . .
C45 C -0.15719(11) 0.0789(5) 0.30216(11) 0.0553(10) Uani 1 1 d . . .
C46 C -0.1735(3) 0.2053(17) 0.3249(3) 0.080(4) Uani 0.544(13) 1 d PU B 1
H53 H -0.2046 0.2407 0.3077 0.120 Uiso 0.544(13) 1 calc PR B 1
H54 H -0.1520 0.2920 0.3317 0.120 Uiso 0.544(13) 1 calc PR B 1
H55 H -0.1740 0.1613 0.3494 0.120 Uiso 0.544(13) 1 calc PR B 1
C47 C -0.1923(3) -0.0439(13) 0.2928(3) 0.082(4) Uani 0.544(13) 1 d PU B 1
H56 H -0.1953 -0.0764 0.3173 0.123 Uiso 0.544(13) 1 calc PR B 1
H57 H -0.1827 -0.1314 0.2811 0.123 Uiso 0.544(13) 1 calc PR B 1
H58 H -0.2221 -0.0054 0.2737 0.123 Uiso 0.544(13) 1 calc PR B 1
C48 C -0.1580(4) 0.1515(19) 0.2639(3) 0.080(4) Uani 0.544(13) 1 d PU B 1
H59 H -0.1900 0.1758 0.2461 0.120 Uiso 0.544(13) 1 calc PR B 1
H60 H -0.1450 0.0795 0.2505 0.120 Uiso 0.544(13) 1 calc PR B 1
H61 H -0.1395 0.2456 0.2704 0.120 Uiso 0.544(13) 1 calc PR B 1
C49 C 0.4902(4) 0.3348(19) 0.2691(4) 0.065(6) Uani 0.50 1 d PDU C -1
H62 H 0.5040 0.4241 0.2871 0.078 Uiso 0.50 1 calc PR C -1
C50 C 0.1118(5) 0.0323(18) 0.3552(4) 0.048(3) Uani 0.54(3) 1 d PU D 1
H14 H 0.0945 0.0769 0.3299 0.057 Uiso 0.54(3) 1 calc PR D 1
C51 C 0.1083(4) -0.1249(12) 0.3578(4) 0.052(3) Uani 0.54(3) 1 d PU D 1
H15 H 0.0917 -0.1851 0.3349 0.062 Uiso 0.54(3) 1 calc PR D 1
C52 C 0.1304(3) -0.1923(14) 0.3957(5) 0.046(3) Uani 0.54(3) 1 d PU D 1
H16 H 0.1274 -0.2986 0.3997 0.055 Uiso 0.54(3) 1 calc PR D 1
C53 C 0.1568(4) -0.0965(15) 0.4274(4) 0.046(3) Uani 0.54(3) 1 d PU D 1
H17 H 0.1741 -0.1392 0.4530 0.055 Uiso 0.54(3) 1 calc PR D 1
C54 C 0.1580(5) 0.0561(19) 0.4219(5) 0.040(3) Uani 0.54(3) 1 d PU D 1
H18 H 0.1741 0.1193 0.4443 0.048 Uiso 0.54(3) 1 calc PR D 1
N1 N 0.14784(9) 0.4742(3) 0.34994(8) 0.0403(6) Uani 1 1 d . D .
N2 N 0.17319(8) 0.4587(3) 0.43395(7) 0.0375(6) Uani 1 1 d . D .
N3 N 0.08403(8) 0.3200(3) 0.42085(7) 0.0360(6) Uani 1 1 d . D .
N4 N 0.05830(9) 0.3390(3) 0.33664(8) 0.0413(6) Uani 1 1 d . D .
N5 N 0.1360(13) 0.126(3) 0.3836(10) 0.032(3) Uani 0.54(3) 1 d PU D 1
Cl1 Cl 0.43304(8) 0.3636(3) 0.25133(9) 0.0843(7) Uani 0.50 1 d PDU C -1
Cl2 Cl 0.5135(3) 0.3433(9) 0.2327(3) 0.133(3) Uani 0.50 1 d PDU C -1
Cl3 Cl 0.51004(9) 0.1756(3) 0.29915(8) 0.0802(6) Uani 0.50 1 d PDU C -1
Zn1 Zn 0.120607(12) 0.36207(5) 0.385627(11) 0.03496(16) Uani 1 1 d . . .
C57 C -0.1852(3) 0.0819(16) 0.3262(3) 0.061(3) Uani 0.456(13) 1 d PU B 2
H63 H -0.2174 0.1048 0.3088 0.092 Uiso 0.456(13) 1 calc PR B 2
H64 H -0.1732 0.1610 0.3468 0.092 Uiso 0.456(13) 1 calc PR B 2
H65 H -0.1835 -0.0182 0.3388 0.092 Uiso 0.456(13) 1 calc PR B 2
C55 C -0.1768(3) -0.0562(13) 0.2693(4) 0.073(4) Uani 0.456(13) 1 d PU B 2
H66 H -0.1765 -0.1534 0.2828 0.109 Uiso 0.456(13) 1 calc PR B 2
H67 H -0.1573 -0.0650 0.2543 0.109 Uiso 0.456(13) 1 calc PR B 2
H68 H -0.2086 -0.0320 0.2510 0.109 Uiso 0.456(13) 1 calc PR B 2
C56 C -0.1609(4) 0.2238(16) 0.2794(4) 0.066(3) Uani 0.456(13) 1 d PU B 2
H69 H -0.1932 0.2407 0.2613 0.099 Uiso 0.456(13) 1 calc PR B 2
H70 H -0.1418 0.2160 0.2640 0.099 Uiso 0.456(13) 1 calc PR B 2
H71 H -0.1501 0.3098 0.2981 0.099 Uiso 0.456(13) 1 calc PR B 2
C59 C 0.3254(6) 1.1881(18) 0.3900(5) 0.056(4) Uani 0.277(7) 1 d PU A 4
H72 H 0.3465 1.1454 0.3789 0.084 Uiso 0.277(7) 1 calc PR A 4
H73 H 0.3401 1.1836 0.4192 0.084 Uiso 0.277(7) 1 calc PR A 4
H74 H 0.3184 1.2949 0.3814 0.084 Uiso 0.277(7) 1 calc PR A 4
C60 C 0.2550(5) 1.1831(15) 0.4056(4) 0.054(4) Uani 0.277(7) 1 d PU A 4
H75 H 0.2468 1.2885 0.3963 0.082 Uiso 0.277(7) 1 calc PR A 4
H76 H 0.2787 1.1841 0.4330 0.082 Uiso 0.277(7) 1 calc PR A 4
H77 H 0.2274 1.1293 0.4050 0.082 Uiso 0.277(7) 1 calc PR A 4
C58 C 0.2514(6) 1.0902(17) 0.3371(5) 0.065(5) Uani 0.277(7) 1 d PU A 4
H78 H 0.2410 1.1953 0.3291 0.097 Uiso 0.277(7) 1 calc PR A 4
H79 H 0.2245 1.0240 0.3318 0.097 Uiso 0.277(7) 1 calc PR A 4
H80 H 0.2689 1.0533 0.3220 0.097 Uiso 0.277(7) 1 calc PR A 4
C62 C 0.1185(5) -0.1005(18) 0.3427(7) 0.072(4) Uani 0.46(3) 1 d PU D 2
H19 H 0.1110 -0.1459 0.3172 0.086 Uiso 0.46(3) 1 calc PR D 2
C63 C 0.1255(7) -0.187(2) 0.3762(9) 0.075(4) Uani 0.46(3) 1 d PU D 2
H20 H 0.1186 -0.2930 0.3733 0.090 Uiso 0.46(3) 1 calc PR D 2
C64 C 0.1424(8) -0.123(2) 0.4139(7) 0.065(4) Uani 0.46(3) 1 d PU D 2
H21 H 0.1513 -0.1837 0.4373 0.078 Uiso 0.46(3) 1 calc PR D 2
C61 C 0.1231(7) 0.054(3) 0.3484(7) 0.066(5) Uani 0.46(3) 1 d PU D 2
H22 H 0.1179 0.1198 0.3263 0.080 Uiso 0.46(3) 1 calc PR D 2
C65 C 0.1456(8) 0.031(3) 0.4156(8) 0.056(5) Uani 0.46(3) 1 d PU D 2
H23 H 0.1568 0.0759 0.4415 0.067 Uiso 0.46(3) 1 calc PR D 2
N6 N 0.1358(17) 0.118(5) 0.3879(14) 0.047(7) Uani 0.46(3) 1 d PU D 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
C1 N1 1.361(4) . ?
C1 C20 1.395(5) . ?
C1 C2 1.431(5) . ?
C2 C3 1.352(5) . ?
C2 H1 0.9500 . ?
C3 C4 1.445(5) . ?
C3 H2 0.9500 . ?
C4 N1 1.366(4) . ?
C4 C5 1.398(4) . ?
C5 C6 1.402(5) . ?
C5 C21 1.495(4) . ?
C6 N2 1.378(4) . ?
C6 C7 1.435(4) . ?
C7 C8 1.334(5) . ?
C7 H3 0.9500 . ?
C8 C9 1.427(4) . ?
C8 H4 0.9500 . ?
C9 N2 1.368(4) . ?
C9 C10 1.392(5) . ?
C10 C11 1.387(4) . ?
C10 H24 0.9500 . ?
C11 N3 1.363(4) . ?
C11 C12 1.429(5) . ?
C12 C13 1.349(5) . ?
C12 H5 0.9500 . ?
C13 C14 1.434(5) . ?
C13 H6 0.9500 . ?
C14 N3 1.372(4) . ?
C14 C15 1.397(4) . ?
C15 C16 1.399(5) . ?
C15 C35 1.497(4) . ?
C16 N4 1.373(4) . ?
C16 C17 1.443(4) . ?
C17 C18 1.336(5) . ?
C17 H7 0.9500 . ?
C18 C19 1.455(4) . ?
C18 C18 1.462(7) 2 ?
C19 N4 1.360(4) . ?
C19 C20 1.381(5) . ?
C20 H25 0.9500 . ?
C21 C22 1.391(5) . ?
C21 C26 1.393(5) . ?
C22 C23 1.400(4) . ?
C22 H8 0.9500 . ?
C23 C24 1.384(5) . ?
C23 C31 1.539(5) . ?
C24 C25 1.393(5) . ?
C24 H9 0.9500 . ?
C25 C26 1.393(5) . ?
C25 C27 1.535(5) . ?
C26 H10 0.9500 . ?
C27 C58 1.260(14) . ?
C27 C30 1.440(7) . ?
C27 C28 1.562(7) . ?
C27 C29 1.617(7) . ?
C27 C59 1.655(15) . ?
C27 C60 1.778(15) . ?
C28 H26 0.9800 . ?
C28 H27 0.9800 . ?
C28 H28 0.9800 . ?
C29 H29 0.9800 . ?
C29 H30 0.9800 . ?
C29 H31 0.9800 . ?
C30 H32 0.9800 . ?
C30 H33 0.9800 . ?
C30 H34 0.9800 . ?
C31 C34 1.524(5) . ?
C31 C33 1.528(5) . ?
C31 C32 1.531(5) . ?
C32 H35 0.9800 . ?
C32 H36 0.9800 . ?
C32 H37 0.9800 . ?
C33 H38 0.9800 . ?
C33 H39 0.9800 . ?
C33 H40 0.9800 . ?
C34 H41 0.9800 . ?
C34 H42 0.9800 . ?
C34 H43 0.9800 . ?
C35 C40 1.385(5) . ?
C35 C36 1.389(4) . ?
C36 C37 1.390(5) . ?
C36 H11 0.9500 . ?
C37 C38 1.395(5) . ?
C37 C45 1.534(5) . ?
C38 C39 1.393(5) . ?
C38 H12 0.9500 . ?
C39 C40 1.386(5) . ?
C39 C41 1.531(6) . ?
C40 H13 0.9500 . ?
C41 C42 1.491(6) . ?
C41 C44 1.514(6) . ?
C41 C43 1.537(8) . ?
C42 H44 0.9800 . ?
C42 H45 0.9800 . ?
C42 H46 0.9800 . ?
C43 H47 0.9800 . ?
C43 H48 0.9800 . ?
C43 H49 0.9800 . ?
C44 H50 0.9800 . ?
C44 H51 0.9800 . ?
C44 H52 0.9800 . ?
C45 C47 1.479(9) . ?
C45 C57 1.472(10) . ?
C45 C56 1.492(13) . ?
C45 C48 1.528(12) . ?
C45 C46 1.587(11) . ?
C45 C55 1.619(10) . ?
C46 H53 0.9800 . ?
C46 H54 0.9800 . ?
C46 H55 0.9800 . ?
C47 H56 0.9800 . ?
C47 H57 0.9800 . ?
C47 H58 0.9800 . ?
C48 H59 0.9800 . ?
C48 H60 0.9800 . ?
C48 H61 0.9800 . ?
C49 Cl1 1.671(12) . ?
C49 Cl3 1.726(16) . ?
C49 Cl2 1.761(7) . ?
C49 H62 1.0000 . ?
C50 N5 1.30(3) . ?
C50 C51 1.384(19) . ?
C50 H14 0.9500 . ?
C51 C52 1.406(15) . ?
C51 H15 0.9500 . ?
C52 C53 1.401(15) . ?
C52 H16 0.9500 . ?
C53 C54 1.35(2) . ?
C53 H17 0.9500 . ?
C54 N5 1.43(4) . ?
C54 H18 0.9500 . ?
N1 Zn1 2.072(3) . ?
N2 Zn1 2.058(2) . ?
N3 Zn1 2.076(3) . ?
N4 Zn1 2.072(3) . ?
N5 Zn1 2.13(3) . ?
Zn1 N6 2.18(5) . ?
C57 H63 0.9800 . ?
C57 H64 0.9800 . ?
C57 H65 0.9800 . ?
C55 H66 0.9800 . ?
C55 H67 0.9800 . ?
C55 H68 0.9800 . ?
C56 H69 0.9800 . ?
C56 H70 0.9800 . ?
C56 H71 0.9800 . ?
C59 H72 0.9800 . ?
C59 H73 0.9800 . ?
C59 H74 0.9800 . ?
C60 H75 0.9800 . ?
C60 H76 0.9800 . ?
C60 H77 0.9800 . ?
C58 H78 0.9800 . ?
C58 H79 0.9800 . ?
C58 H80 0.9800 . ?
C62 C61 1.36(3) . ?
C62 C63 1.38(2) . ?
C62 H19 0.9500 . ?
C63 C64 1.38(2) . ?
C63 H20 0.9500 . ?
C64 C65 1.35(3) . ?
C64 H21 0.9500 . ?
C61 N6 1.45(5) . ?
C61 H22 0.9500 . ?
C65 N6 1.20(5) . ?
C65 H23 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 C1 C20 125.3(3) . . ?
N1 C1 C2 110.1(3) . . ?
C20 C1 C2 124.6(3) . . ?
C3 C2 C1 107.0(3) . . ?
C3 C2 H1 126.5 . . ?
C1 C2 H1 126.5 . . ?
C2 C3 C4 106.9(3) . . ?
C2 C3 H2 126.6 . . ?
C4 C3 H2 126.6 . . ?
N1 C4 C5 125.6(3) . . ?
N1 C4 C3 109.3(3) . . ?
C5 C4 C3 125.0(3) . . ?
C4 C5 C6 124.5(3) . . ?
C4 C5 C21 117.2(3) . . ?
C6 C5 C21 118.1(3) . . ?
N2 C6 C5 125.4(3) . . ?
N2 C6 C7 108.8(3) . . ?
C5 C6 C7 125.4(3) . . ?
C8 C7 C6 107.7(3) . . ?
C8 C7 H3 126.1 . . ?
C6 C7 H3 126.1 . . ?
C7 C8 C9 107.5(3) . . ?
C7 C8 H4 126.2 . . ?
C9 C8 H4 126.2 . . ?
N2 C9 C10 125.2(3) . . ?
N2 C9 C8 109.6(3) . . ?
C10 C9 C8 125.0(3) . . ?
C11 C10 C9 128.4(3) . . ?
C11 C10 H24 115.8 . . ?
C9 C10 H24 115.8 . . ?
N3 C11 C10 124.0(3) . . ?
N3 C11 C12 109.9(3) . . ?
C10 C11 C12 126.1(3) . . ?
C13 C12 C11 107.1(3) . . ?
C13 C12 H5 126.4 . . ?
C11 C12 H5 126.4 . . ?
C12 C13 C14 107.1(3) . . ?
C12 C13 H6 126.4 . . ?
C14 C13 H6 126.4 . . ?
N3 C14 C15 125.0(3) . . ?
N3 C14 C13 109.4(3) . . ?
C15 C14 C13 125.6(3) . . ?
C14 C15 C16 124.8(3) . . ?
C14 C15 C35 118.1(3) . . ?
C16 C15 C35 116.8(3) . . ?
N4 C16 C15 125.8(3) . . ?
N4 C16 C17 108.9(3) . . ?
C15 C16 C17 125.2(3) . . ?
C18 C17 C16 107.8(3) . . ?
C18 C17 H7 126.1 . . ?
C16 C17 H7 126.1 . . ?
C17 C18 C19 106.8(3) . . ?
C17 C18 C18 128.7(3) . 2 ?
C19 C18 C18 124.5(4) . 2 ?
N4 C19 C20 126.0(3) . . ?
N4 C19 C18 109.3(3) . . ?
C20 C19 C18 124.7(3) . . ?
C19 C20 C1 126.9(3) . . ?
C19 C20 H25 116.5 . . ?
C1 C20 H25 116.5 . . ?
C22 C21 C26 119.1(3) . . ?
C22 C21 C5 122.1(3) . . ?
C26 C21 C5 118.8(3) . . ?
C21 C22 C23 120.9(3) . . ?
C21 C22 H8 119.5 . . ?
C23 C22 H8 119.5 . . ?
C24 C23 C22 118.0(3) . . ?
C24 C23 C31 123.2(3) . . ?
C22 C23 C31 118.8(3) . . ?
C23 C24 C25 122.9(3) . . ?
C23 C24 H9 118.6 . . ?
C25 C24 H9 118.6 . . ?
C24 C25 C26 117.5(3) . . ?
C24 C25 C27 122.0(3) . . ?
C26 C25 C27 120.4(3) . . ?
C21 C26 C25 121.5(3) . . ?
C21 C26 H10 119.2 . . ?
C25 C26 H10 119.2 . . ?
C58 C27 C30 128.2(8) . . ?
C58 C27 C25 117.8(8) . . ?
C30 C27 C25 114.0(4) . . ?
C58 C27 C28 47.7(9) . . ?
C30 C27 C28 110.4(5) . . ?
C25 C27 C28 114.7(3) . . ?
C58 C27 C29 53.7(10) . . ?
C30 C27 C29 109.7(5) . . ?
C25 C27 C29 106.1(4) . . ?
C28 C27 C29 100.9(4) . . ?
C58 C27 C59 118.3(10) . . ?
C30 C27 C59 37.5(6) . . ?
C25 C27 C59 108.5(6) . . ?
C28 C27 C59 135.3(7) . . ?
C29 C27 C59 76.6(8) . . ?
C58 C27 C60 116.0(11) . . ?
C30 C27 C60 56.3(6) . . ?
C25 C27 C60 98.5(5) . . ?
C28 C27 C60 70.0(6) . . ?
C29 C27 C60 155.3(6) . . ?
C59 C27 C60 93.6(9) . . ?
C27 C28 H26 109.5 . . ?
C27 C28 H27 109.5 . . ?
C27 C28 H28 109.5 . . ?
C27 C29 H29 109.5 . . ?
C27 C29 H30 109.5 . . ?
C27 C29 H31 109.5 . . ?
C27 C30 H32 109.5 . . ?
C27 C30 H33 109.5 . . ?
C27 C30 H34 109.5 . . ?
C34 C31 C33 110.3(3) . . ?
C34 C31 C32 108.0(3) . . ?
C33 C31 C32 107.8(3) . . ?
C34 C31 C23 108.8(3) . . ?
C33 C31 C23 110.1(3) . . ?
C32 C31 C23 111.8(3) . . ?
C31 C32 H35 109.5 . . ?
C31 C32 H36 109.5 . . ?
H35 C32 H36 109.5 . . ?
C31 C32 H37 109.5 . . ?
H35 C32 H37 109.5 . . ?
H36 C32 H37 109.5 . . ?
C31 C33 H38 109.5 . . ?
C31 C33 H39 109.5 . . ?
H38 C33 H39 109.5 . . ?
C31 C33 H40 109.5 . . ?
H38 C33 H40 109.5 . . ?
H39 C33 H40 109.5 . . ?
C31 C34 H41 109.5 . . ?
C31 C34 H42 109.5 . . ?
H41 C34 H42 109.5 . . ?
C31 C34 H43 109.5 . . ?
H41 C34 H43 109.5 . . ?
H42 C34 H43 109.5 . . ?
C40 C35 C36 119.5(3) . . ?
C40 C35 C15 117.5(3) . . ?
C36 C35 C15 122.8(3) . . ?
C35 C36 C37 121.1(3) . . ?
C35 C36 H11 119.4 . . ?
C37 C36 H11 119.4 . . ?
C36 C37 C38 117.6(3) . . ?
C36 C37 C45 120.5(3) . . ?
C38 C37 C45 121.9(3) . . ?
C39 C38 C37 122.7(3) . . ?
C39 C38 H12 118.7 . . ?
C37 C38 H12 118.7 . . ?
C40 C39 C38 117.7(3) . . ?
C40 C39 C41 120.3(3) . . ?
C38 C39 C41 122.0(3) . . ?
C35 C40 C39 121.4(3) . . ?
C35 C40 H13 119.3 . . ?
C39 C40 H13 119.3 . . ?
C42 C41 C44 108.3(4) . . ?
C42 C41 C39 113.2(4) . . ?
C44 C41 C39 112.2(4) . . ?
C42 C41 C43 108.1(5) . . ?
C44 C41 C43 107.5(5) . . ?
C39 C41 C43 107.3(4) . . ?
C41 C42 H44 109.5 . . ?
C41 C42 H45 109.5 . . ?
H44 C42 H45 109.5 . . ?
C41 C42 H46 109.5 . . ?
H44 C42 H46 109.5 . . ?
H45 C42 H46 109.5 . . ?
C41 C43 H47 109.5 . . ?
C41 C43 H48 109.5 . . ?
H47 C43 H48 109.5 . . ?
C41 C43 H49 109.5 . . ?
H47 C43 H49 109.5 . . ?
H48 C43 H49 109.5 . . ?
C41 C44 H50 109.5 . . ?
C41 C44 H51 109.5 . . ?
H50 C44 H51 109.5 . . ?
C41 C44 H52 109.5 . . ?
H50 C44 H52 109.5 . . ?
H51 C44 H52 109.5 . . ?
C47 C45 C57 65.2(7) . . ?
C47 C45 C56 126.9(6) . . ?
C57 C45 C56 112.6(7) . . ?
C47 C45 C48 110.6(6) . . ?
C57 C45 C48 138.1(7) . . ?
C56 C45 C48 33.8(5) . . ?
C47 C45 C37 116.8(5) . . ?
C57 C45 C37 108.8(4) . . ?
C56 C45 C37 113.6(5) . . ?
C48 C45 C37 109.4(5) . . ?
C47 C45 C46 104.9(7) . . ?
C57 C45 C46 43.8(6) . . ?
C56 C45 C46 74.5(8) . . ?
C48 C45 C46 107.6(8) . . ?
C37 C45 C46 107.1(4) . . ?
C47 C45 C55 43.2(6) . . ?
C57 C45 C55 108.2(7) . . ?
C56 C45 C55 106.5(7) . . ?
C48 C45 C55 76.2(7) . . ?
C37 C45 C55 106.9(4) . . ?
C46 C45 C55 141.9(5) . . ?
C45 C46 H53 109.5 . . ?
C45 C46 H54 109.5 . . ?
C45 C46 H55 109.5 . . ?
C45 C47 H56 109.5 . . ?
C45 C47 H57 109.5 . . ?
C45 C47 H58 109.5 . . ?
C45 C48 H59 109.5 . . ?
C45 C48 H60 109.5 . . ?
C45 C48 H61 109.5 . . ?
Cl1 C49 Cl3 115.4(7) . . ?
Cl1 C49 Cl2 114.3(7) . . ?
Cl3 C49 Cl2 111.1(9) . . ?
Cl1 C49 H62 105.0 . . ?
Cl3 C49 H62 105.0 . . ?
Cl2 C49 H62 105.0 . . ?
N5 C50 C51 127(2) . . ?
N5 C50 H14 116.3 . . ?
C51 C50 H14 116.3 . . ?
C50 C51 C52 117.5(10) . . ?
C50 C51 H15 121.3 . . ?
C52 C51 H15 121.3 . . ?
C53 C52 C51 117.4(10) . . ?
C53 C52 H16 121.3 . . ?
C51 C52 H16 121.3 . . ?
C54 C53 C52 120.5(10) . . ?
C54 C53 H17 119.7 . . ?
C52 C53 H17 119.7 . . ?
C53 C54 N5 122.5(16) . . ?
C53 C54 H18 118.8 . . ?
N5 C54 H18 118.8 . . ?
C1 N1 C4 106.7(3) . . ?
C1 N1 Zn1 125.0(2) . . ?
C4 N1 Zn1 127.9(2) . . ?
C9 N2 C6 106.4(2) . . ?
C9 N2 Zn1 125.5(2) . . ?
C6 N2 Zn1 128.1(2) . . ?
C11 N3 C14 106.5(3) . . ?
C11 N3 Zn1 126.17(19) . . ?
C14 N3 Zn1 126.3(2) . . ?
C19 N4 C16 107.1(3) . . ?
C19 N4 Zn1 124.5(2) . . ?
C16 N4 Zn1 125.5(2) . . ?
C50 N5 C54 114(2) . . ?
C50 N5 Zn1 125(2) . . ?
C54 N5 Zn1 114(2) . . ?
N2 Zn1 N4 160.25(11) . . ?
N2 Zn1 N1 87.25(11) . . ?
N4 Zn1 N1 89.44(11) . . ?
N2 Zn1 N3 89.83(10) . . ?
N4 Zn1 N3 87.07(11) . . ?
N1 Zn1 N3 161.23(11) . . ?
N2 Zn1 N5 108.1(9) . . ?
N4 Zn1 N5 91.5(9) . . ?
N1 Zn1 N5 106.2(11) . . ?
N3 Zn1 N5 92.4(11) . . ?
N2 Zn1 N6 106.2(12) . . ?
N4 Zn1 N6 93.2(12) . . ?
N1 Zn1 N6 110.3(14) . . ?
N3 Zn1 N6 88.4(14) . . ?
N5 Zn1 N6 4(2) . . ?
C45 C57 H63 109.5 . . ?
C45 C57 H64 109.5 . . ?
H63 C57 H64 109.5 . . ?
C45 C57 H65 109.5 . . ?
H63 C57 H65 109.5 . . ?
H64 C57 H65 109.5 . . ?
C45 C55 H66 109.5 . . ?
C45 C55 H67 109.5 . . ?
H66 C55 H67 109.5 . . ?
C45 C55 H68 109.5 . . ?
H66 C55 H68 109.5 . . ?
H67 C55 H68 109.5 . . ?
C45 C56 H69 109.5 . . ?
C45 C56 H70 109.5 . . ?
H69 C56 H70 109.5 . . ?
C45 C56 H71 109.5 . . ?
H69 C56 H71 109.5 . . ?
H70 C56 H71 109.5 . . ?
C27 C59 H72 109.5 . . ?
C27 C59 H73 109.5 . . ?
C27 C59 H74 109.5 . . ?
C27 C60 H75 109.5 . . ?
C27 C60 H76 109.5 . . ?
C27 C60 H77 109.5 . . ?
C27 C58 H78 109.5 . . ?
C27 C58 H79 109.5 . . ?
C27 C58 H80 109.5 . . ?
C61 C62 C63 115.8(16) . . ?
C61 C62 H19 122.1 . . ?
C63 C62 H19 122.1 . . ?
C64 C63 C62 121.8(16) . . ?
C64 C63 H20 119.1 . . ?
C62 C63 H20 119.1 . . ?
C65 C64 C63 116.2(18) . . ?
C65 C64 H21 121.9 . . ?
C63 C64 H21 121.9 . . ?
C62 C61 N6 120(3) . . ?
C62 C61 H22 119.8 . . ?
N6 C61 H22 119.8 . . ?
N6 C65 C64 127(3) . . ?
N6 C65 H23 116.5 . . ?
C64 C65 H23 116.5 . . ?
C65 N6 C61 118(4) . . ?
C65 N6 Zn1 129(4) . . ?
C61 N6 Zn1 112(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 -0.8(4) . . . . ?
C20 C1 C2 C3 177.0(4) . . . . ?
C1 C2 C3 C4 -0.6(4) . . . . ?
C2 C3 C4 N1 1.9(4) . . . . ?
C2 C3 C4 C5 -176.5(3) . . . . ?
N1 C4 C5 C6 3.2(5) . . . . ?
C3 C4 C5 C6 -178.6(3) . . . . ?
N1 C4 C5 C21 -171.0(3) . . . . ?
C3 C4 C5 C21 7.2(5) . . . . ?
C4 C5 C6 N2 -2.1(5) . . . . ?
C21 C5 C6 N2 172.1(3) . . . . ?
C4 C5 C6 C7 -174.2(3) . . . . ?
C21 C5 C6 C7 0.0(5) . . . . ?
N2 C6 C7 C8 -0.2(4) . . . . ?
C5 C6 C7 C8 173.0(3) . . . . ?
C6 C7 C8 C9 -0.4(4) . . . . ?
C7 C8 C9 N2 0.8(4) . . . . ?
C7 C8 C9 C10 -175.0(3) . . . . ?
N2 C9 C10 C11 -0.9(6) . . . . ?
C8 C9 C10 C11 174.2(4) . . . . ?
C9 C10 C11 N3 -0.7(6) . . . . ?
C9 C10 C11 C12 178.1(3) . . . . ?
N3 C11 C12 C13 1.9(4) . . . . ?
C10 C11 C12 C13 -177.1(3) . . . . ?
C11 C12 C13 C14 -1.4(4) . . . . ?
C12 C13 C14 N3 0.4(4) . . . . ?
C12 C13 C14 C15 -177.1(3) . . . . ?
N3 C14 C15 C16 -6.1(5) . . . . ?
C13 C14 C15 C16 171.0(3) . . . . ?
N3 C14 C15 C35 168.0(3) . . . . ?
C13 C14 C15 C35 -14.8(5) . . . . ?
C14 C15 C16 N4 5.1(5) . . . . ?
C35 C15 C16 N4 -169.1(3) . . . . ?
C14 C15 C16 C17 -177.7(3) . . . . ?
C35 C15 C16 C17 8.1(5) . . . . ?
N4 C16 C17 C18 0.2(4) . . . . ?
C15 C16 C17 C18 -177.4(3) . . . . ?
C16 C17 C18 C19 1.2(4) . . . . ?
C16 C17 C18 C18 -179.6(3) . . . 2 ?
C17 C18 C19 N4 -2.3(4) . . . . ?
C18 C18 C19 N4 178.5(2) 2 . . . ?
C17 C18 C19 C20 175.7(4) . . . . ?
C18 C18 C19 C20 -3.4(5) 2 . . . ?
N4 C19 C20 C1 1.5(6) . . . . ?
C18 C19 C20 C1 -176.2(4) . . . . ?
N1 C1 C20 C19 0.8(6) . . . . ?
C2 C1 C20 C19 -176.8(4) . . . . ?
C4 C5 C21 C22 -123.1(3) . . . . ?
C6 C5 C21 C22 62.4(4) . . . . ?
C4 C5 C21 C26 58.2(4) . . . . ?
C6 C5 C21 C26 -116.3(3) . . . . ?
C26 C21 C22 C23 0.7(5) . . . . ?
C5 C21 C22 C23 -178.0(3) . . . . ?
C21 C22 C23 C24 -2.2(5) . . . . ?
C21 C22 C23 C31 178.0(3) . . . . ?
C22 C23 C24 C25 2.0(5) . . . . ?
C31 C23 C24 C25 -178.1(3) . . . . ?
C23 C24 C25 C26 -0.3(5) . . . . ?
C23 C24 C25 C27 -177.6(3) . . . . ?
C22 C21 C26 C25 1.2(5) . . . . ?
C5 C21 C26 C25 179.9(3) . . . . ?
C24 C25 C26 C21 -1.4(5) . . . . ?
C27 C25 C26 C21 176.0(3) . . . . ?
C24 C25 C27 C58 127.6(11) . . . . ?
C26 C25 C27 C58 -49.6(12) . . . . ?
C24 C25 C27 C30 -50.2(7) . . . . ?
C26 C25 C27 C30 132.6(6) . . . . ?
C24 C25 C27 C28 -178.9(4) . . . . ?
C26 C25 C27 C28 3.9(6) . . . . ?
C24 C25 C27 C29 70.6(5) . . . . ?
C26 C25 C27 C29 -106.6(4) . . . . ?
C24 C25 C27 C59 -10.3(9) . . . . ?
C26 C25 C27 C59 172.5(8) . . . . ?
C24 C25 C27 C60 -107.0(6) . . . . ?
C26 C25 C27 C60 75.8(6) . . . . ?
C24 C23 C31 C34 122.1(4) . . . . ?
C22 C23 C31 C34 -58.0(4) . . . . ?
C24 C23 C31 C33 -116.9(4) . . . . ?
C22 C23 C31 C33 62.9(4) . . . . ?
C24 C23 C31 C32 2.9(5) . . . . ?
C22 C23 C31 C32 -177.2(3) . . . . ?
C14 C15 C35 C40 -61.4(4) . . . . ?
C16 C15 C35 C40 113.3(4) . . . . ?
C14 C15 C35 C36 124.1(4) . . . . ?
C16 C15 C35 C36 -61.3(4) . . . . ?
C40 C35 C36 C37 -2.2(5) . . . . ?
C15 C35 C36 C37 172.2(3) . . . . ?
C35 C36 C37 C38 2.6(5) . . . . ?
C35 C36 C37 C45 -177.1(3) . . . . ?
C36 C37 C38 C39 -1.4(5) . . . . ?
C45 C37 C38 C39 178.3(3) . . . . ?
C37 C38 C39 C40 -0.1(6) . . . . ?
C37 C38 C39 C41 177.5(4) . . . . ?
C36 C35 C40 C39 0.6(5) . . . . ?
C15 C35 C40 C39 -174.1(3) . . . . ?
C38 C39 C40 C35 0.6(5) . . . . ?
C41 C39 C40 C35 -177.1(4) . . . . ?
C40 C39 C41 C42 -145.9(4) . . . . ?
C38 C39 C41 C42 36.4(6) . . . . ?
C40 C39 C41 C44 -23.0(6) . . . . ?
C38 C39 C41 C44 159.4(5) . . . . ?
C40 C39 C41 C43 94.9(5) . . . . ?
C38 C39 C41 C43 -82.7(5) . . . . ?
C36 C37 C45 C47 179.4(7) . . . . ?
C38 C37 C45 C47 -0.4(8) . . . . ?
C36 C37 C45 C57 -109.6(7) . . . . ?
C38 C37 C45 C57 70.7(7) . . . . ?
C36 C37 C45 C56 16.7(9) . . . . ?
C38 C37 C45 C56 -163.1(8) . . . . ?
C36 C37 C45 C48 52.8(8) . . . . ?
C38 C37 C45 C48 -126.9(8) . . . . ?
C36 C37 C45 C46 -63.5(7) . . . . ?
C38 C37 C45 C46 116.8(7) . . . . ?
C36 C37 C45 C55 133.8(7) . . . . ?
C38 C37 C45 C55 -45.9(7) . . . . ?
N5 C50 C51 C52 5(3) . . . . ?
C50 C51 C52 C53 -4.4(16) . . . . ?
C51 C52 C53 C54 4.7(18) . . . . ?
C52 C53 C54 N5 -5(3) . . . . ?
C20 C1 N1 C4 -175.8(4) . . . . ?
C2 C1 N1 C4 2.0(4) . . . . ?
C20 C1 N1 Zn1 9.8(5) . . . . ?
C2 C1 N1 Zn1 -172.3(2) . . . . ?
C5 C4 N1 C1 176.0(3) . . . . ?
C3 C4 N1 C1 -2.4(4) . . . . ?
C5 C4 N1 Zn1 -9.9(5) . . . . ?
C3 C4 N1 Zn1 171.7(2) . . . . ?
C10 C9 N2 C6 174.8(3) . . . . ?
C8 C9 N2 C6 -1.0(4) . . . . ?
C10 C9 N2 Zn1 -5.4(5) . . . . ?
C8 C9 N2 Zn1 178.8(2) . . . . ?
C5 C6 N2 C9 -172.5(3) . . . . ?
C7 C6 N2 C9 0.7(4) . . . . ?
C5 C6 N2 Zn1 7.8(5) . . . . ?
C7 C6 N2 Zn1 -179.0(2) . . . . ?
C10 C11 N3 C14 177.4(3) . . . . ?
C12 C11 N3 C14 -1.6(3) . . . . ?
C10 C11 N3 Zn1 8.4(4) . . . . ?
C12 C11 N3 Zn1 -170.6(2) . . . . ?
C15 C14 N3 C11 178.3(3) . . . . ?
C13 C14 N3 C11 0.8(3) . . . . ?
C15 C14 N3 Zn1 -12.7(4) . . . . ?
C13 C14 N3 Zn1 169.8(2) . . . . ?
C20 C19 N4 C16 -175.6(3) . . . . ?
C18 C19 N4 C16 2.4(4) . . . . ?
C20 C19 N4 Zn1 -14.0(5) . . . . ?
C18 C19 N4 Zn1 164.0(2) . . . . ?
C15 C16 N4 C19 176.0(3) . . . . ?
C17 C16 N4 C19 -1.7(4) . . . . ?
C15 C16 N4 Zn1 14.6(5) . . . . ?
C17 C16 N4 Zn1 -163.0(2) . . . . ?
C51 C50 N5 C54 -5(4) . . . . ?
C51 C50 N5 Zn1 -154.4(17) . . . . ?
C53 C54 N5 C50 5(4) . . . . ?
C53 C54 N5 Zn1 157.6(15) . . . . ?
C9 N2 Zn1 N4 89.7(4) . . . . ?
C6 N2 Zn1 N4 -90.5(4) . . . . ?
C9 N2 Zn1 N1 170.4(3) . . . . ?
C6 N2 Zn1 N1 -9.9(3) . . . . ?
C9 N2 Zn1 N3 8.9(3) . . . . ?
C6 N2 Zn1 N3 -171.3(3) . . . . ?
C9 N2 Zn1 N5 -83.5(12) . . . . ?
C6 N2 Zn1 N5 96.2(12) . . . . ?
C9 N2 Zn1 N6 -79.3(15) . . . . ?
C6 N2 Zn1 N6 100.4(15) . . . . ?
C19 N4 Zn1 N2 97.6(4) . . . . ?
C16 N4 Zn1 N2 -104.1(4) . . . . ?
C19 N4 Zn1 N1 17.3(3) . . . . ?
C16 N4 Zn1 N1 175.6(3) . . . . ?
C19 N4 Zn1 N3 178.9(3) . . . . ?
C16 N4 Zn1 N3 -22.8(3) . . . . ?
C19 N4 Zn1 N5 -88.8(11) . . . . ?
C16 N4 Zn1 N5 69.5(11) . . . . ?
C19 N4 Zn1 N6 -92.9(14) . . . . ?
C16 N4 Zn1 N6 65.3(14) . . . . ?
C1 N1 Zn1 N2 -176.0(3) . . . . ?
C4 N1 Zn1 N2 10.9(3) . . . . ?
C1 N1 Zn1 N4 -15.5(3) . . . . ?
C4 N1 Zn1 N4 171.4(3) . . . . ?
C1 N1 Zn1 N3 -94.7(4) . . . . ?
C4 N1 Zn1 N3 92.2(4) . . . . ?
C1 N1 Zn1 N5 75.9(10) . . . . ?
C4 N1 Zn1 N5 -97.2(10) . . . . ?
C1 N1 Zn1 N6 77.8(13) . . . . ?
C4 N1 Zn1 N6 -95.3(13) . . . . ?
C11 N3 Zn1 N2 -10.5(3) . . . . ?
C14 N3 Zn1 N2 -177.4(3) . . . . ?
C11 N3 Zn1 N4 -171.0(3) . . . . ?
C14 N3 Zn1 N4 22.1(3) . . . . ?
C11 N3 Zn1 N1 -91.4(4) . . . . ?
C14 N3 Zn1 N1 101.7(4) . . . . ?
C11 N3 Zn1 N5 97.7(9) . . . . ?
C14 N3 Zn1 N5 -69.2(9) . . . . ?
C11 N3 Zn1 N6 95.7(12) . . . . ?
C14 N3 Zn1 N6 -71.2(12) . . . . ?
C50 N5 Zn1 N2 -175(3) . . . . ?
C54 N5 Zn1 N2 36(3) . . . . ?
C50 N5 Zn1 N4 7(3) . . . . ?
C54 N5 Zn1 N4 -142(2) . . . . ?
C50 N5 Zn1 N1 -82(3) . . . . ?
C54 N5 Zn1 N1 128(2) . . . . ?
C50 N5 Zn1 N3 95(3) . . . . ?
C54 N5 Zn1 N3 -55(2) . . . . ?
C50 N5 Zn1 N6 121(31) . . . . ?
C54 N5 Zn1 N6 -28(27) . . . . ?
C61 C62 C63 C64 -9(2) . . . . ?
C62 C63 C64 C65 9(3) . . . . ?
C63 C62 C61 N6 2(3) . . . . ?
C63 C64 C65 N6 -1(4) . . . . ?
C64 C65 N6 C61 -6(6) . . . . ?
C64 C65 N6 Zn1 160(2) . . . . ?
C62 C61 N6 C65 6(6) . . . . ?
C62 C61 N6 Zn1 -162.9(16) . . . . ?
N2 Zn1 N6 C65 49(5) . . . . ?
N4 Zn1 N6 C65 -127(4) . . . . ?
N1 Zn1 N6 C65 143(4) . . . . ?
N3 Zn1 N6 C65 -40(4) . . . . ?
N5 Zn1 N6 C65 166(33) . . . . ?
N2 Zn1 N6 C61 -144(3) . . . . ?
N4 Zn1 N6 C61 40(3) . . . . ?
N1 Zn1 N6 C61 -51(3) . . . . ?
N3 Zn1 N6 C61 127(3) . . . . ?
N5 Zn1 N6 C61 -27(27) . . . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        65.99
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         0.614
_refine_diff_density_min         -0.624
_refine_diff_density_rms         0.069
_exptl_crystal_recrystallization_method 'Vapour Deposition'
