# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2017

####################################################################### 
# 
# 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_160915NF
_database_code_depnum_ccdc_archive 'CCDC 1529199'
_audit_update_record             
;
2017-01-23 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C80 H86 N4 Ni P Pt0.50, 3(C7 H8)'
_chemical_formula_sum            'C101 H110 N4 Ni P Pt0.50'
_chemical_formula_weight         1567.15

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'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   15.566(2)
_cell_length_b                   15.8310(16)
_cell_length_c                   17.7553(19)
_cell_angle_alpha                80.813(6)
_cell_angle_beta                 89.907(11)
_cell_angle_gamma                88.251(9)
_cell_volume                     4317.2(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    3494
_cell_measurement_theta_min      30.8
_cell_measurement_theta_max      68.3

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_F_000             1652
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    2.325
_shelx_estimated_absorpt_T_min   0.801
_shelx_estimated_absorpt_T_max   0.977
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_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_reflns_number            54071
_diffrn_reflns_av_unetI/netI     0.0326
_diffrn_reflns_av_R_equivalents  0.0396
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         6.555
_diffrn_reflns_theta_max         64.992
_diffrn_reflns_theta_full        64.992
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_Laue_measured_fraction_max 0.960
_diffrn_reflns_Laue_measured_fraction_full 0.960
_diffrn_reflns_point_group_measured_fraction_max 0.960
_diffrn_reflns_point_group_measured_fraction_full 0.960
_reflns_number_total             14110
_reflns_number_gt                13201
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0558P)²+0.9188P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14110
_refine_ls_number_parameters     1061
_refine_ls_number_restraints     496
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0313
_refine_ls_wR_factor_ref         0.0810
_refine_ls_wR_factor_gt          0.0799
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.038
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.48314(15) 0.57145(13) 0.64799(13) 0.0161(5) Uani 1 1 d . . . . .
C2 C 0.39389(16) 0.55347(15) 0.64886(14) 0.0213(5) Uani 1 1 d . . . . .
H1 H 0.3632 0.5336 0.6093 0.026 Uiso 1 1 calc R U . . .
C3 C 0.36065(16) 0.56956(15) 0.71541(14) 0.0221(5) Uani 1 1 d . . . . .
H2 H 0.3034 0.5605 0.7327 0.027 Uiso 1 1 calc R U . . .
C4 C 0.42848(15) 0.60290(13) 0.75486(13) 0.0166(5) Uani 1 1 d . . . . .
C5 C 0.41935(15) 0.63316(13) 0.82369(13) 0.0165(5) Uani 1 1 d . . . . .
C6 C 0.48066(15) 0.68310(13) 0.84953(13) 0.0166(5) Uani 1 1 d . . . . .
C7 C 0.46779(16) 0.73059(15) 0.91165(14) 0.0225(5) Uani 1 1 d . . . . .
H3 H 0.4219 0.7248 0.9473 0.027 Uiso 1 1 calc R U . . .
C8 C 0.53280(16) 0.78448(15) 0.90959(14) 0.0233(5) Uani 1 1 d . . . . .
H4 H 0.5405 0.8254 0.9426 0.028 Uiso 1 1 calc R U . . .
C9 C 0.58898(15) 0.76914(14) 0.84818(13) 0.0176(5) Uani 1 1 d . . . . .
C10 C 0.66657(15) 0.80848(14) 0.83133(13) 0.0184(5) Uani 1 1 d . . . . .
C11 C 0.72803(15) 0.77533(14) 0.78600(13) 0.0178(5) Uani 1 1 d . . . . .
C12 C 0.81554(16) 0.80118(15) 0.77778(14) 0.0220(5) Uani 1 1 d . . . . .
H5 H 0.8387 0.8509 0.7927 0.026 Uiso 1 1 calc R U . . .
C13 C 0.85882(16) 0.74141(15) 0.74485(14) 0.0213(5) Uani 1 1 d . . . . .
H6 H 0.9186 0.7401 0.7342 0.026 Uiso 1 1 calc R U . . .
C14 C 0.79809(15) 0.68049(14) 0.72898(12) 0.0164(5) Uani 1 1 d . . . . .
C15 C 0.81739(15) 0.60859(14) 0.69616(12) 0.0159(5) Uani 1 1 d . . . . .
C16 C 0.75321(14) 0.56366(13) 0.66689(12) 0.0149(5) Uani 1 1 d . . . . .
C17 C 0.76832(15) 0.49988(14) 0.61897(13) 0.0187(5) Uani 1 1 d . . . . .
H7 H 0.8214 0.4709 0.6120 0.022 Uiso 1 1 calc R U . . .
C18 C 0.69227(16) 0.48903(14) 0.58560(13) 0.0200(5) Uani 1 1 d . . . . .
H8 H 0.6825 0.4525 0.5491 0.024 Uiso 1 1 calc R U . . .
C19 C 0.62904(15) 0.54259(13) 0.61532(12) 0.0153(5) Uani 1 1 d . . . . .
C20 C 0.54132(15) 0.54471(13) 0.59660(12) 0.0146(5) Uani 1 1 d . . . . .
C21 C 0.33687(15) 0.61853(13) 0.86671(13) 0.0167(5) Uani 1 1 d . . . . .
C22 C 0.26536(15) 0.67199(14) 0.84686(13) 0.0182(5) Uani 1 1 d . . . . .
H9 H 0.2693 0.7182 0.8058 0.022 Uiso 1 1 calc R U . . .
C23 C 0.18808(15) 0.65915(14) 0.88594(13) 0.0192(5) Uani 1 1 d . . . . .
C24 C 0.18487(16) 0.59120(14) 0.94646(13) 0.0201(5) Uani 1 1 d . . . . .
H10 H 0.1326 0.5816 0.9738 0.024 Uiso 1 1 calc R U . . .
C25 C 0.25604(16) 0.53674(14) 0.96827(13) 0.0204(5) Uani 1 1 d . . . . .
C26 C 0.33186(15) 0.55151(14) 0.92703(13) 0.0186(5) Uani 1 1 d . . . . .
H11 H 0.3809 0.5150 0.9405 0.022 Uiso 1 1 calc R U . . .
C27 C 0.11091(16) 0.72049(16) 0.86381(15) 0.0265(6) Uani 1 1 d . . . . .
C28 C 0.1306(2) 0.8070(2) 0.8856(3) 0.0614(11) Uani 1 1 d . . . . .
H28 H 0.1847 0.8271 0.8619 0.092 Uiso 1 1 calc R U . . .
H29 H 0.0839 0.8483 0.8678 0.092 Uiso 1 1 calc R U . . .
H30 H 0.1357 0.8013 0.9412 0.092 Uiso 1 1 calc R U . . .
C29 C 0.0277(2) 0.6873(2) 0.8994(2) 0.0527(9) Uani 1 1 d . . . . .
H31 H 0.0164 0.6316 0.8846 0.079 Uiso 1 1 calc R U . . .
H32 H 0.0322 0.6809 0.9551 0.079 Uiso 1 1 calc R U . . .
H33 H -0.0196 0.7278 0.8816 0.079 Uiso 1 1 calc R U . . .
C30 C 0.0980(2) 0.7339(2) 0.77627(17) 0.0442(8) Uani 1 1 d . . . . .
H34 H 0.1507 0.7555 0.7510 0.066 Uiso 1 1 calc R U . . .
H35 H 0.0844 0.6793 0.7604 0.066 Uiso 1 1 calc R U . . .
H36 H 0.0505 0.7755 0.7619 0.066 Uiso 1 1 calc R U . . .
C31 C 0.25391(17) 0.46514(16) 1.03735(14) 0.0276(6) Uani 1 1 d . . . . .
C32 C 0.1635(2) 0.4519(3) 1.0696(2) 0.0586(10) Uani 1 1 d . . . . .
H37 H 0.1257 0.4359 1.0305 0.088 Uiso 1 1 calc R U . . .
H38 H 0.1653 0.4063 1.1139 0.088 Uiso 1 1 calc R U . . .
H39 H 0.1414 0.5052 1.0851 0.088 Uiso 1 1 calc R U . . .
C33 C 0.3116(2) 0.49000(19) 1.09924(16) 0.0416(7) Uani 1 1 d . . . . .
H40 H 0.3700 0.4987 1.0793 0.062 Uiso 1 1 calc R U . . .
H41 H 0.2890 0.5431 1.1147 0.062 Uiso 1 1 calc R U . . .
H42 H 0.3129 0.4442 1.1435 0.062 Uiso 1 1 calc R U . . .
C34 C 0.2880(3) 0.38099(17) 1.01531(18) 0.0497(9) Uani 1 1 d . . . . .
H43 H 0.3461 0.3886 0.9945 0.074 Uiso 1 1 calc R U . . .
H44 H 0.2897 0.3365 1.0605 0.074 Uiso 1 1 calc R U . . .
H45 H 0.2501 0.3638 0.9767 0.074 Uiso 1 1 calc R U . . .
C35 C 0.68738(15) 0.87976(14) 0.87333(13) 0.0193(5) Uani 1 1 d . . . . .
C36 C 0.63857(16) 0.95584(14) 0.86037(14) 0.0201(5) Uani 1 1 d . . . . .
H12 H 0.5966 0.9641 0.8209 0.024 Uiso 1 1 calc R U . . .
C37 C 0.65020(16) 1.01998(14) 0.90428(13) 0.0196(5) Uani 1 1 d . . . . .
C38 C 0.71264(16) 1.00578(14) 0.96176(13) 0.0212(5) Uani 1 1 d . . . . .
H13 H 0.7214 1.0491 0.9921 0.025 Uiso 1 1 calc R U . . .
C39 C 0.76274(16) 0.92981(14) 0.97617(14) 0.0214(5) Uani 1 1 d . . . . .
C40 C 0.74888(15) 0.86777(14) 0.93086(13) 0.0199(5) Uani 1 1 d . . . . .
H14 H 0.7823 0.8159 0.9394 0.024 Uiso 1 1 calc R U . . .
C41 C 0.59356(17) 1.10237(14) 0.88869(14) 0.0240(5) Uani 1 1 d . . . . .
C42 C 0.6082(2) 1.14571(16) 0.80595(15) 0.0337(7) Uani 1 1 d . . . . .
H46 H 0.5949 1.1058 0.7710 0.050 Uiso 1 1 calc R U . . .
H47 H 0.5706 1.1970 0.7946 0.050 Uiso 1 1 calc R U . . .
H48 H 0.6683 1.1620 0.7996 0.050 Uiso 1 1 calc R U . . .
C43 C 0.49836(18) 1.08065(17) 0.89865(19) 0.0393(7) Uani 1 1 d . . . . .
H49 H 0.4837 1.0400 0.8648 0.059 Uiso 1 1 calc R U . . .
H50 H 0.4879 1.0550 0.9517 0.059 Uiso 1 1 calc R U . . .
H51 H 0.4627 1.1331 0.8858 0.059 Uiso 1 1 calc R U . . .
C44 C 0.61450(19) 1.16553(15) 0.94187(15) 0.0305(6) Uani 1 1 d . . . . .
H52 H 0.6751 1.1802 0.9363 0.046 Uiso 1 1 calc R U . . .
H53 H 0.5783 1.2175 0.9288 0.046 Uiso 1 1 calc R U . . .
H54 H 0.6035 1.1395 0.9947 0.046 Uiso 1 1 calc R U . . .
C45 C 0.82656(19) 0.91104(16) 1.04311(15) 0.0300(6) Uani 1 1 d . . . . .
C46 C 0.7842(3) 0.8453(2) 1.10527(19) 0.0542(9) Uani 1 1 d . . . . .
H55 H 0.7716 0.7935 1.0840 0.081 Uiso 1 1 calc R U . . .
H56 H 0.8237 0.8304 1.1487 0.081 Uiso 1 1 calc R U . . .
H57 H 0.7307 0.8703 1.1224 0.081 Uiso 1 1 calc R U . . .
C47 C 0.9109(2) 0.8727(2) 1.0185(2) 0.0574(10) Uani 1 1 d . . . . .
H58 H 0.8994 0.8213 0.9962 0.086 Uiso 1 1 calc R U . . .
H59 H 0.9388 0.9147 0.9804 0.086 Uiso 1 1 calc R U . . .
H60 H 0.9488 0.8573 1.0629 0.086 Uiso 1 1 calc R U . . .
C48 C 0.8455(2) 0.9904(2) 1.0774(2) 0.0495(8) Uani 1 1 d . . . . .
H61 H 0.7916 1.0157 1.0935 0.074 Uiso 1 1 calc R U . . .
H62 H 0.8835 0.9747 1.1217 0.074 Uiso 1 1 calc R U . . .
H63 H 0.8735 1.0321 1.0392 0.074 Uiso 1 1 calc R U . . .
C49 C 0.90926(15) 0.58209(14) 0.68512(13) 0.0167(5) Uani 1 1 d . . . . .
C50 C 0.95633(15) 0.62344(14) 0.62452(13) 0.0182(5) Uani 1 1 d . . . . .
H15 H 0.9303 0.6697 0.5907 0.022 Uiso 1 1 calc R U . . .
C51 C 1.04147(15) 0.59814(15) 0.61236(13) 0.0190(5) Uani 1 1 d . . . . .
C52 C 1.07756(16) 0.53032(14) 0.66285(14) 0.0209(5) Uani 1 1 d . . . . .
H16 H 1.1352 0.5124 0.6550 0.025 Uiso 1 1 calc R U . . .
C53 C 1.03215(16) 0.48745(14) 0.72480(14) 0.0208(5) Uani 1 1 d . . . . .
C54 C 0.94754(15) 0.51469(14) 0.73472(13) 0.0198(5) Uani 1 1 d . . . . .
H17 H 0.9153 0.4866 0.7763 0.024 Uiso 1 1 calc R U . . .
C55 C 1.09074(16) 0.64510(16) 0.54412(14) 0.0247(5) Uani 1 1 d . . . . .
C56 C 1.04517(19) 0.6348(2) 0.46963(15) 0.0377(7) Uani 1 1 d . . . . .
H64 H 0.9855 0.6561 0.4709 0.056 Uiso 1 1 calc R U . . .
H65 H 1.0748 0.6677 0.4263 0.056 Uiso 1 1 calc R U . . .
H66 H 1.0461 0.5742 0.4641 0.056 Uiso 1 1 calc R U . . .
C57 C 1.09357(19) 0.74087(17) 0.55092(17) 0.0362(7) Uani 1 1 d . . . . .
H67 H 1.0348 0.7644 0.5530 0.054 Uiso 1 1 calc R U . . .
H68 H 1.1246 0.7474 0.5975 0.054 Uiso 1 1 calc R U . . .
H69 H 1.1231 0.7716 0.5065 0.054 Uiso 1 1 calc R U . . .
C58 C 1.18357(17) 0.61169(17) 0.54103(15) 0.0294(6) Uani 1 1 d . . . . .
H70 H 1.2123 0.6435 0.4967 0.044 Uiso 1 1 calc R U . . .
H71 H 1.2138 0.6194 0.5877 0.044 Uiso 1 1 calc R U . . .
H72 H 1.1841 0.5507 0.5367 0.044 Uiso 1 1 calc R U . . .
C59 C 1.07397(17) 0.41081(16) 0.77732(16) 0.0277(6) Uani 1 1 d . . . . .
C60 C 1.16915(19) 0.4254(2) 0.79102(19) 0.0436(8) Uani 1 1 d . . . . .
H73 H 1.1745 0.4767 0.8149 0.065 Uiso 1 1 calc R U . . .
H74 H 1.1941 0.3757 0.8247 0.065 Uiso 1 1 calc R U . . .
H75 H 1.1997 0.4331 0.7422 0.065 Uiso 1 1 calc R U . . .
C61 C 1.0323(2) 0.3973(2) 0.85684(19) 0.0527(9) Uani 1 1 d . . . . .
H76 H 1.0395 0.4484 0.8807 0.079 Uiso 1 1 calc R U . . .
H77 H 0.9710 0.3871 0.8519 0.079 Uiso 1 1 calc R U . . .
H78 H 1.0601 0.3477 0.8886 0.079 Uiso 1 1 calc R U . . .
C62 C 1.0630(3) 0.33167(19) 0.7403(2) 0.0633(11) Uani 1 1 d . . . . .
H79 H 1.0017 0.3237 0.7321 0.095 Uiso 1 1 calc R U . . .
H80 H 1.0929 0.3388 0.6912 0.095 Uiso 1 1 calc R U . . .
H81 H 1.0873 0.2814 0.7737 0.095 Uiso 1 1 calc R U . . .
C63 C 0.61727(17) 0.68590(15) 0.45867(15) 0.0276(6) Uani 1 1 d . . . . .
C64 C 0.69514(18) 0.64131(18) 0.45582(16) 0.0332(6) Uani 1 1 d . . . . .
H18 H 0.6958 0.5860 0.4414 0.040 Uiso 1 1 calc R U . . .
C65 C 0.7714(2) 0.6756(2) 0.4735(2) 0.0450(8) Uani 1 1 d . . . . .
H19 H 0.8239 0.6440 0.4712 0.054 Uiso 1 1 calc R U . . .
C66 C 0.7716(2) 0.7549(2) 0.4944(3) 0.0651(12) Uani 1 1 d . . . . .
H20 H 0.8241 0.7785 0.5071 0.078 Uiso 1 1 calc R U . . .
C67 C 0.6956(3) 0.8002(2) 0.4971(3) 0.0842(16) Uani 1 1 d . . . . .
H21 H 0.6961 0.8557 0.5110 0.101 Uiso 1 1 calc R U . . .
C68 C 0.6182(2) 0.7668(2) 0.4799(2) 0.0552(10) Uani 1 1 d . . . . .
H22 H 0.5660 0.7989 0.4825 0.066 Uiso 1 1 calc R U . . .
C69 C 0.52860(17) 0.64837(14) 0.32705(13) 0.0229(5) Uani 1 1 d . . . . .
C70 C 0.60195(18) 0.68203(17) 0.28918(16) 0.0323(6) Uani 1 1 d . . . . .
H23 H 0.6465 0.7029 0.3171 0.039 Uiso 1 1 calc R U . . .
C71 C 0.6096(2) 0.68492(19) 0.21118(17) 0.0415(8) Uani 1 1 d . . . . .
H24 H 0.6592 0.7085 0.1857 0.050 Uiso 1 1 calc R U . . .
C72 C 0.5459(2) 0.65398(18) 0.17016(16) 0.0404(8) Uani 1 1 d . . . . .
H25 H 0.5527 0.6540 0.1170 0.048 Uiso 1 1 calc R U . . .
C73 C 0.4721(2) 0.62294(16) 0.20661(15) 0.0346(7) Uani 1 1 d . . . . .
H26 H 0.4274 0.6030 0.1782 0.041 Uiso 1 1 calc R U . . .
C74 C 0.46328(19) 0.62099(15) 0.28486(14) 0.0270(6) Uani 1 1 d . . . . .
H27 H 0.4120 0.6007 0.3096 0.032 Uiso 1 1 calc R U . . .
C75 C 0.43436(17) 0.71579(15) 0.44620(14) 0.0246(5) Uani 1 1 d D U . . .
C78 C 0.3142(2) 0.84197(19) 0.47353(19) 0.0452(8) Uani 1 1 d D U . . .
H122 H 0.2764 0.8881 0.4810 0.05(3) Uiso 0.764(6) 1 calc R . P A 1
H123 H 0.2715 0.8826 0.4840 0.03(8) Uiso 0.236(6) 1 calc R . P A 2
C81 C 1.0309(4) 1.0094(3) 0.3927(2) 0.0902(18) Uani 1 1 d . . . . .
C82 C 0.9576(5) 1.0542(3) 0.3639(3) 0.116(2) Uani 1 1 d . . . . .
H82 H 0.9561 1.1148 0.3597 0.139 Uiso 1 1 calc R U . . .
C83 C 0.8863(7) 1.0152(4) 0.3408(4) 0.161(4) Uani 1 1 d . . . . .
H83 H 0.8366 1.0479 0.3218 0.193 Uiso 1 1 calc R U . . .
C84 C 0.8897(6) 0.9249(4) 0.3462(4) 0.129(3) Uani 1 1 d . . . . .
H84 H 0.8432 0.8946 0.3299 0.155 Uiso 1 1 calc R U . . .
C85 C 0.9641(5) 0.8831(3) 0.3764(3) 0.104(2) Uani 1 1 d . . . . .
H85 H 0.9683 0.8225 0.3808 0.124 Uiso 1 1 calc R U . . .
C86 C 1.0314(5) 0.9245(3) 0.3998(3) 0.099(2) Uani 1 1 d . . . . .
H86 H 1.0800 0.8922 0.4219 0.119 Uiso 1 1 calc R U . . .
C87 C 1.1082(5) 1.0555(4) 0.4189(3) 0.120(2) Uani 1 1 d . . . . .
H102 H 1.0965 1.1175 0.4093 0.179 Uiso 1 1 calc R U . . .
H103 H 1.1180 1.0367 0.4736 0.179 Uiso 1 1 calc R U . . .
H104 H 1.1595 1.0419 0.3905 0.179 Uiso 1 1 calc R U . . .
C88 C 0.8635(2) 0.1590(2) 0.8070(2) 0.0480(8) Uani 1 1 d . . . . .
C89 C 0.8504(2) 0.2008(2) 0.8680(2) 0.0472(8) Uani 1 1 d . . . . .
H87 H 0.8660 0.1728 0.9176 0.057 Uiso 1 1 calc R U . . .
C90 C 0.8149(2) 0.2835(2) 0.8589(2) 0.0492(8) Uani 1 1 d . . . . .
H88 H 0.8065 0.3112 0.9021 0.059 Uiso 1 1 calc R U . . .
C91 C 0.7916(2) 0.3254(2) 0.7872(2) 0.0462(8) Uani 1 1 d . . . . .
H89 H 0.7667 0.3816 0.7805 0.055 Uiso 1 1 calc R U . . .
C92 C 0.8052(2) 0.2840(2) 0.7258(2) 0.0523(9) Uani 1 1 d . . . . .
H90 H 0.7895 0.3120 0.6762 0.063 Uiso 1 1 calc R U . . .
C93 C 0.8413(2) 0.2025(2) 0.7350(2) 0.0565(10) Uani 1 1 d . . . . .
H91 H 0.8512 0.1756 0.6915 0.068 Uiso 1 1 calc R U . . .
C94 C 0.8982(3) 0.0671(2) 0.8166(2) 0.0654(11) Uani 1 1 d . . . . .
H105 H 0.9029 0.0489 0.7665 0.098 Uiso 1 1 calc R U . . .
H106 H 0.9551 0.0634 0.8408 0.098 Uiso 1 1 calc R U . . .
H107 H 0.8591 0.0298 0.8488 0.098 Uiso 1 1 calc R U . . .
N1 N 0.50364(12) 0.60468(11) 0.71330(10) 0.0148(4) Uani 1 1 d . . . . .
N2 N 0.55674(12) 0.70565(11) 0.81280(10) 0.0152(4) Uani 1 1 d . . . . .
N3 N 0.71687(12) 0.70329(11) 0.75221(10) 0.0153(4) Uani 1 1 d . . . . .
N4 N 0.66651(12) 0.58533(11) 0.66739(10) 0.0137(4) Uani 1 1 d . . . . .
Ni1 Ni 0.61074(2) 0.65078(2) 0.73584(2) 0.01276(9) Uani 1 1 d . . . . .
P1 P 0.51919(4) 0.63705(3) 0.43153(3) 0.01802(13) Uani 1 1 d . . . . .
Pt1 Pt 0.5000 0.5000 0.5000 0.01363(5) Uani 1 2 d S . P . .
C76 C 0.3819(3) 0.7575(3) 0.3901(2) 0.0326(10) Uani 0.764(6) 1 d . U P A 1
H114 H 0.3866 0.7442 0.3400 0.039 Uiso 0.764(6) 1 calc R U P A 1
C77 C 0.3214(3) 0.8191(3) 0.4049(3) 0.0433(11) Uani 0.764(6) 1 d . U P A 1
H115 H 0.2844 0.8456 0.3650 0.052 Uiso 0.764(6) 1 calc R U P A 1
C79 C 0.3624(4) 0.7981(3) 0.5347(3) 0.0393(11) Uani 0.764(6) 1 d . U P A 1
H116 H 0.3538 0.8107 0.5848 0.047 Uiso 0.764(6) 1 calc R U P A 1
C80 C 0.4236(4) 0.7351(3) 0.5213(2) 0.0349(10) Uani 0.764(6) 1 d . U P A 1
H117 H 0.4575 0.7056 0.5622 0.042 Uiso 0.764(6) 1 calc R U P A 1
C102 C 0.3846(10) 0.7133(9) 0.5088(7) 0.035(2) Uani 0.236(6) 1 d D U P A 2
H118 H 0.3878 0.6621 0.5449 0.042 Uiso 0.236(6) 1 calc R U P A 2
C103 C 0.4252(11) 0.7882(7) 0.3872(6) 0.039(2) Uani 0.236(6) 1 d D U P A 2
H119 H 0.4585 0.7939 0.3419 0.047 Uiso 0.236(6) 1 calc R U P A 2
C104 C 0.3338(11) 0.7727(8) 0.5240(8) 0.040(3) Uani 0.236(6) 1 d D U P A 2
H120 H 0.3090 0.7673 0.5734 0.047 Uiso 0.236(6) 1 calc R U P A 2
C105 C 0.3605(10) 0.8533(10) 0.4017(6) 0.045(2) Uani 0.236(6) 1 d D U P A 2
H121 H 0.3491 0.9024 0.3644 0.054 Uiso 0.236(6) 1 calc R U P A 2
C95 C 0.4804(5) 0.9382(4) 0.6722(3) 0.0707(19) Uani 0.712(7) 1 d . U P B 1
C96 C 0.4567(7) 1.0241(5) 0.6553(5) 0.093(3) Uani 0.712(7) 1 d . U P B 1
H92 H 0.4877 1.0602 0.6176 0.111 Uiso 0.712(7) 1 calc R U P B 1
C97 C 0.3889(7) 1.0585(5) 0.6919(5) 0.103(3) Uani 0.712(7) 1 d . U P B 1
H93 H 0.3744 1.1178 0.6796 0.123 Uiso 0.712(7) 1 calc R U P B 1
C98 C 0.3436(5) 1.0088(5) 0.7445(4) 0.086(2) Uani 0.712(7) 1 d . U P B 1
H94 H 0.2982 1.0326 0.7710 0.104 Uiso 0.712(7) 1 calc R U P B 1
C99 C 0.3641(9) 0.9216(7) 0.7597(6) 0.083(3) Uani 0.712(7) 1 d . U P B 1
H95 H 0.3297 0.8847 0.7939 0.099 Uiso 0.712(7) 1 calc R U P B 1
C100 C 0.4330(7) 0.8890(5) 0.7261(6) 0.072(2) Uani 0.712(7) 1 d . U P B 1
H96 H 0.4488 0.8301 0.7404 0.086 Uiso 0.712(7) 1 calc R U P B 1
C101 C 0.5572(7) 0.9008(7) 0.6348(6) 0.112(4) Uani 0.712(7) 1 d . U P B 1
H108 H 0.5829 0.9456 0.5979 0.168 Uiso 0.712(7) 1 calc R U P B 1
H109 H 0.5999 0.8779 0.6739 0.168 Uiso 0.712(7) 1 calc R U P B 1
H110 H 0.5385 0.8546 0.6084 0.168 Uiso 0.712(7) 1 calc R U P B 1
C106 C 0.4114(8) 0.9457(9) 0.7249(7) 0.076(4) Uani 0.288(7) 1 d G U P B 2
C107 C 0.4367(9) 1.0258(7) 0.6896(8) 0.079(5) Uani 0.288(7) 1 d G U P B 2
H97 H 0.4089 1.0761 0.7020 0.095 Uiso 0.288(7) 1 calc R U P B 2
C108 C 0.5025(9) 1.0324(6) 0.6362(7) 0.072(5) Uani 0.288(7) 1 d G U P B 2
H98 H 0.5198 1.0872 0.6121 0.087 Uiso 0.288(7) 1 calc R U P B 2
C109 C 0.5431(9) 0.9589(8) 0.6181(8) 0.096(5) Uani 0.288(7) 1 d G U P B 2
H99 H 0.5881 0.9634 0.5816 0.116 Uiso 0.288(7) 1 calc R U P B 2
C110 C 0.5178(11) 0.8787(6) 0.6533(9) 0.087(6) Uani 0.288(7) 1 d G U P B 2
H100 H 0.5455 0.8285 0.6409 0.104 Uiso 0.288(7) 1 calc R U P B 2
C111 C 0.4519(11) 0.8721(7) 0.7067(9) 0.068(6) Uani 0.288(7) 1 d G U P B 2
H101 H 0.4347 0.8174 0.7308 0.081 Uiso 0.288(7) 1 calc R U P B 2
C112 C 0.353(2) 0.9450(19) 0.7845(17) 0.087(8) Uani 0.288(7) 1 d . U P B 2
H111 H 0.3392 0.8857 0.8052 0.130 Uiso 0.288(7) 1 calc R U P B 2
H112 H 0.3776 0.9723 0.8248 0.130 Uiso 0.288(7) 1 calc R U P B 2
H113 H 0.2998 0.9764 0.7654 0.130 Uiso 0.288(7) 1 calc R U P B 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 C20 1.389(3) . ?
C1 N1 1.389(3) . ?
C1 C2 1.426(3) . ?
C2 C3 1.347(3) . ?
C2 H1 0.9500 . ?
C3 C4 1.428(3) . ?
C3 H2 0.9500 . ?
C4 N1 1.381(3) . ?
C4 C5 1.387(3) . ?
C5 C6 1.382(3) . ?
C5 C21 1.498(3) . ?
C6 N2 1.380(3) . ?
C6 C7 1.441(3) . ?
C7 C8 1.340(4) . ?
C7 H3 0.9500 . ?
C8 C9 1.443(3) . ?
C8 H4 0.9500 . ?
C9 N2 1.375(3) . ?
C9 C10 1.386(3) . ?
C10 C11 1.393(3) . ?
C10 C35 1.492(3) . ?
C11 N3 1.386(3) . ?
C11 C12 1.435(3) . ?
C12 C13 1.352(3) . ?
C12 H5 0.9500 . ?
C13 C14 1.431(3) . ?
C13 H6 0.9500 . ?
C14 N3 1.384(3) . ?
C14 C15 1.384(3) . ?
C15 C16 1.392(3) . ?
C15 C49 1.499(3) . ?
C16 N4 1.383(3) . ?
C16 C17 1.434(3) . ?
C17 C18 1.352(4) . ?
C17 H7 0.9500 . ?
C18 C19 1.434(3) . ?
C18 H8 0.9500 . ?
C19 N4 1.371(3) . ?
C19 C20 1.404(3) . ?
C20 Pt1 2.068(2) . ?
C21 C26 1.386(3) . ?
C21 C22 1.389(3) . ?
C22 C23 1.392(3) . ?
C22 H9 0.9500 . ?
C23 C24 1.396(3) . ?
C23 C27 1.533(3) . ?
C24 C25 1.399(3) . ?
C24 H10 0.9500 . ?
C25 C26 1.394(3) . ?
C25 C31 1.533(3) . ?
C26 H11 0.9500 . ?
C27 C29 1.513(4) . ?
C27 C28 1.521(4) . ?
C27 C30 1.548(4) . ?
C28 H28 0.9800 . ?
C28 H29 0.9800 . ?
C28 H30 0.9800 . ?
C29 H31 0.9800 . ?
C29 H32 0.9800 . ?
C29 H33 0.9800 . ?
C30 H34 0.9800 . ?
C30 H35 0.9800 . ?
C30 H36 0.9800 . ?
C31 C32 1.526(4) . ?
C31 C33 1.527(4) . ?
C31 C34 1.527(4) . ?
C32 H37 0.9800 . ?
C32 H38 0.9800 . ?
C32 H39 0.9800 . ?
C33 H40 0.9800 . ?
C33 H41 0.9800 . ?
C33 H42 0.9800 . ?
C34 H43 0.9800 . ?
C34 H44 0.9800 . ?
C34 H45 0.9800 . ?
C35 C40 1.388(4) . ?
C35 C36 1.392(3) . ?
C36 C37 1.391(3) . ?
C36 H12 0.9500 . ?
C37 C38 1.398(4) . ?
C37 C41 1.540(3) . ?
C38 C39 1.402(3) . ?
C38 H13 0.9500 . ?
C39 C40 1.387(3) . ?
C39 C45 1.536(4) . ?
C40 H14 0.9500 . ?
C41 C44 1.523(3) . ?
C41 C43 1.535(4) . ?
C41 C42 1.538(4) . ?
C42 H46 0.9800 . ?
C42 H47 0.9800 . ?
C42 H48 0.9800 . ?
C43 H49 0.9800 . ?
C43 H50 0.9800 . ?
C43 H51 0.9800 . ?
C44 H52 0.9800 . ?
C44 H53 0.9800 . ?
C44 H54 0.9800 . ?
C45 C48 1.518(4) . ?
C45 C47 1.523(4) . ?
C45 C46 1.552(4) . ?
C46 H55 0.9800 . ?
C46 H56 0.9800 . ?
C46 H57 0.9800 . ?
C47 H58 0.9800 . ?
C47 H59 0.9800 . ?
C47 H60 0.9800 . ?
C48 H61 0.9800 . ?
C48 H62 0.9800 . ?
C48 H63 0.9800 . ?
C49 C50 1.387(3) . ?
C49 C54 1.390(3) . ?
C50 C51 1.399(3) . ?
C50 H15 0.9500 . ?
C51 C52 1.389(3) . ?
C51 C55 1.534(3) . ?
C52 C53 1.399(3) . ?
C52 H16 0.9500 . ?
C53 C54 1.393(3) . ?
C53 C59 1.536(3) . ?
C54 H17 0.9500 . ?
C55 C58 1.527(3) . ?
C55 C56 1.535(4) . ?
C55 C57 1.542(4) . ?
C56 H64 0.9800 . ?
C56 H65 0.9800 . ?
C56 H66 0.9800 . ?
C57 H67 0.9800 . ?
C57 H68 0.9800 . ?
C57 H69 0.9800 . ?
C58 H70 0.9800 . ?
C58 H71 0.9800 . ?
C58 H72 0.9800 . ?
C59 C62 1.519(4) . ?
C59 C60 1.532(4) . ?
C59 C61 1.539(4) . ?
C60 H73 0.9800 . ?
C60 H74 0.9800 . ?
C60 H75 0.9800 . ?
C61 H76 0.9800 . ?
C61 H77 0.9800 . ?
C61 H78 0.9800 . ?
C62 H79 0.9800 . ?
C62 H80 0.9800 . ?
C62 H81 0.9800 . ?
C63 C64 1.389(4) . ?
C63 C68 1.392(4) . ?
C63 P1 1.832(3) . ?
C64 C65 1.377(4) . ?
C64 H18 0.9500 . ?
C65 C66 1.365(5) . ?
C65 H19 0.9500 . ?
C66 C67 1.369(6) . ?
C66 H20 0.9500 . ?
C67 C68 1.385(5) . ?
C67 H21 0.9500 . ?
C68 H22 0.9500 . ?
C69 C74 1.384(4) . ?
C69 C70 1.400(4) . ?
C69 P1 1.841(2) . ?
C70 C71 1.383(4) . ?
C70 H23 0.9500 . ?
C71 C72 1.378(5) . ?
C71 H24 0.9500 . ?
C72 C73 1.383(4) . ?
C72 H25 0.9500 . ?
C73 C74 1.392(4) . ?
C73 H26 0.9500 . ?
C74 H27 0.9500 . ?
C75 C102 1.349(8) . ?
C75 C76 1.362(5) . ?
C75 C80 1.423(5) . ?
C75 C103 1.427(9) . ?
C75 P1 1.835(2) . ?
C78 C104 1.329(9) . ?
C78 C77 1.328(6) . ?
C78 C79 1.398(6) . ?
C78 C105 1.452(9) . ?
C78 H122 0.9500 . ?
C78 H123 0.9500 . ?
C81 C86 1.329(7) . ?
C81 C82 1.380(8) . ?
C81 C87 1.537(8) . ?
C82 C83 1.380(10) . ?
C82 H82 0.9500 . ?
C83 C84 1.418(9) . ?
C83 H83 0.9500 . ?
C84 C85 1.382(10) . ?
C84 H84 0.9500 . ?
C85 C86 1.353(9) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 H102 0.9800 . ?
C87 H103 0.9800 . ?
C87 H104 0.9800 . ?
C88 C89 1.367(5) . ?
C88 C93 1.391(5) . ?
C88 C94 1.521(5) . ?
C89 C90 1.390(5) . ?
C89 H87 0.9500 . ?
C90 C91 1.383(5) . ?
C90 H88 0.9500 . ?
C91 C92 1.371(5) . ?
C91 H89 0.9500 . ?
C92 C93 1.377(5) . ?
C92 H90 0.9500 . ?
C93 H91 0.9500 . ?
C94 H105 0.9800 . ?
C94 H106 0.9800 . ?
C94 H107 0.9800 . ?
N1 Ni1 1.908(2) . ?
N2 Ni1 1.9128(17) . ?
N3 Ni1 1.915(2) . ?
N4 Ni1 1.9099(17) . ?
P1 Pt1 2.3389(6) . ?
Pt1 C20 2.068(2) 2_666 ?
Pt1 P1 2.3389(6) 2_666 ?
C76 C77 1.390(5) . ?
C76 H114 0.9500 . ?
C77 H115 0.9500 . ?
C79 C80 1.405(6) . ?
C79 H116 0.9500 . ?
C80 H117 0.9500 . ?
C102 C104 1.272(18) . ?
C102 H118 0.9500 . ?
C103 C105 1.471(17) . ?
C103 H119 0.9500 . ?
C104 H120 0.9500 . ?
C105 H121 0.9500 . ?
C95 C100 1.365(10) . ?
C95 C96 1.383(10) . ?
C95 C101 1.517(11) . ?
C96 C97 1.381(12) . ?
C96 H92 0.9500 . ?
C97 C98 1.335(10) . ?
C97 H93 0.9500 . ?
C98 C99 1.391(14) . ?
C98 H94 0.9500 . ?
C99 C100 1.355(17) . ?
C99 H95 0.9500 . ?
C100 H96 0.9500 . ?
C101 H108 0.9800 . ?
C101 H109 0.9800 . ?
C101 H110 0.9800 . ?
C106 C107 1.3900 . ?
C106 C111 1.3900 . ?
C106 C112 1.40(3) . ?
C107 C108 1.3900 . ?
C107 H97 0.9500 . ?
C108 C109 1.3900 . ?
C108 H98 0.9500 . ?
C109 C110 1.3900 . ?
C109 H99 0.9500 . ?
C110 C111 1.3900 . ?
C110 H100 0.9500 . ?
C111 H101 0.9500 . ?
C112 H111 0.9800 . ?
C112 H112 0.9800 . ?
C112 H113 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 126.0(2) . . ?
C20 C1 C2 123.7(2) . . ?
N1 C1 C2 109.28(19) . . ?
C3 C2 C1 108.3(2) . . ?
C3 C2 H1 125.9 . . ?
C1 C2 H1 125.9 . . ?
C2 C3 C4 106.5(2) . . ?
C2 C3 H2 126.8 . . ?
C4 C3 H2 126.8 . . ?
N1 C4 C5 124.5(2) . . ?
N1 C4 C3 110.61(19) . . ?
C5 C4 C3 124.8(2) . . ?
C6 C5 C4 121.6(2) . . ?
C6 C5 C21 119.39(19) . . ?
C4 C5 C21 118.7(2) . . ?
N2 C6 C5 125.08(19) . . ?
N2 C6 C7 109.9(2) . . ?
C5 C6 C7 124.3(2) . . ?
C8 C7 C6 107.0(2) . . ?
C8 C7 H3 126.5 . . ?
C6 C7 H3 126.5 . . ?
C7 C8 C9 107.6(2) . . ?
C7 C8 H4 126.2 . . ?
C9 C8 H4 126.2 . . ?
N2 C9 C10 125.5(2) . . ?
N2 C9 C8 109.6(2) . . ?
C10 C9 C8 124.7(2) . . ?
C9 C10 C11 121.6(2) . . ?
C9 C10 C35 117.04(19) . . ?
C11 C10 C35 120.7(2) . . ?
N3 C11 C10 124.0(2) . . ?
N3 C11 C12 109.97(19) . . ?
C10 C11 C12 125.3(2) . . ?
C13 C12 C11 107.0(2) . . ?
C13 C12 H5 126.5 . . ?
C11 C12 H5 126.5 . . ?
C12 C13 C14 107.5(2) . . ?
C12 C13 H6 126.3 . . ?
C14 C13 H6 126.3 . . ?
N3 C14 C15 124.7(2) . . ?
N3 C14 C13 110.01(19) . . ?
C15 C14 C13 125.3(2) . . ?
C14 C15 C16 121.3(2) . . ?
C14 C15 C49 120.1(2) . . ?
C16 C15 C49 118.33(19) . . ?
N4 C16 C15 124.49(19) . . ?
N4 C16 C17 109.9(2) . . ?
C15 C16 C17 124.6(2) . . ?
C18 C17 C16 106.6(2) . . ?
C18 C17 H7 126.7 . . ?
C16 C17 H7 126.7 . . ?
C17 C18 C19 107.6(2) . . ?
C17 C18 H8 126.2 . . ?
C19 C18 H8 126.2 . . ?
N4 C19 C20 126.39(19) . . ?
N4 C19 C18 109.7(2) . . ?
C20 C19 C18 123.7(2) . . ?
C1 C20 C19 117.8(2) . . ?
C1 C20 Pt1 121.21(17) . . ?
C19 C20 Pt1 120.79(15) . . ?
C26 C21 C22 119.7(2) . . ?
C26 C21 C5 119.9(2) . . ?
C22 C21 C5 120.4(2) . . ?
C21 C22 C23 121.3(2) . . ?
C21 C22 H9 119.4 . . ?
C23 C22 H9 119.4 . . ?
C22 C23 C24 117.9(2) . . ?
C22 C23 C27 120.0(2) . . ?
C24 C23 C27 122.1(2) . . ?
C23 C24 C25 122.2(2) . . ?
C23 C24 H10 118.9 . . ?
C25 C24 H10 118.9 . . ?
C26 C25 C24 118.0(2) . . ?
C26 C25 C31 119.8(2) . . ?
C24 C25 C31 122.2(2) . . ?
C21 C26 C25 121.1(2) . . ?
C21 C26 H11 119.5 . . ?
C25 C26 H11 119.5 . . ?
C29 C27 C28 111.0(3) . . ?
C29 C27 C23 113.1(2) . . ?
C28 C27 C23 108.6(2) . . ?
C29 C27 C30 107.0(3) . . ?
C28 C27 C30 107.4(3) . . ?
C23 C27 C30 109.6(2) . . ?
C27 C28 H28 109.5 . . ?
C27 C28 H29 109.5 . . ?
H28 C28 H29 109.5 . . ?
C27 C28 H30 109.5 . . ?
H28 C28 H30 109.5 . . ?
H29 C28 H30 109.5 . . ?
C27 C29 H31 109.5 . . ?
C27 C29 H32 109.5 . . ?
H31 C29 H32 109.5 . . ?
C27 C29 H33 109.5 . . ?
H31 C29 H33 109.5 . . ?
H32 C29 H33 109.5 . . ?
C27 C30 H34 109.5 . . ?
C27 C30 H35 109.5 . . ?
H34 C30 H35 109.5 . . ?
C27 C30 H36 109.5 . . ?
H34 C30 H36 109.5 . . ?
H35 C30 H36 109.5 . . ?
C32 C31 C33 108.6(3) . . ?
C32 C31 C34 108.7(3) . . ?
C33 C31 C34 109.2(2) . . ?
C32 C31 C25 112.3(2) . . ?
C33 C31 C25 107.9(2) . . ?
C34 C31 C25 110.2(2) . . ?
C31 C32 H37 109.5 . . ?
C31 C32 H38 109.5 . . ?
H37 C32 H38 109.5 . . ?
C31 C32 H39 109.5 . . ?
H37 C32 H39 109.5 . . ?
H38 C32 H39 109.5 . . ?
C31 C33 H40 109.5 . . ?
C31 C33 H41 109.5 . . ?
H40 C33 H41 109.5 . . ?
C31 C33 H42 109.5 . . ?
H40 C33 H42 109.5 . . ?
H41 C33 H42 109.5 . . ?
C31 C34 H43 109.5 . . ?
C31 C34 H44 109.5 . . ?
H43 C34 H44 109.5 . . ?
C31 C34 H45 109.5 . . ?
H43 C34 H45 109.5 . . ?
H44 C34 H45 109.5 . . ?
C40 C35 C36 119.4(2) . . ?
C40 C35 C10 120.5(2) . . ?
C36 C35 C10 119.7(2) . . ?
C37 C36 C35 121.1(2) . . ?
C37 C36 H12 119.4 . . ?
C35 C36 H12 119.4 . . ?
C36 C37 C38 117.9(2) . . ?
C36 C37 C41 119.2(2) . . ?
C38 C37 C41 122.9(2) . . ?
C37 C38 C39 122.2(2) . . ?
C37 C38 H13 118.9 . . ?
C39 C38 H13 118.9 . . ?
C40 C39 C38 117.7(2) . . ?
C40 C39 C45 119.7(2) . . ?
C38 C39 C45 122.4(2) . . ?
C35 C40 C39 121.5(2) . . ?
C35 C40 H14 119.2 . . ?
C39 C40 H14 119.2 . . ?
C44 C41 C43 108.3(2) . . ?
C44 C41 C42 108.5(2) . . ?
C43 C41 C42 108.8(2) . . ?
C44 C41 C37 112.4(2) . . ?
C43 C41 C37 110.1(2) . . ?
C42 C41 C37 108.65(19) . . ?
C41 C42 H46 109.5 . . ?
C41 C42 H47 109.5 . . ?
H46 C42 H47 109.5 . . ?
C41 C42 H48 109.5 . . ?
H46 C42 H48 109.5 . . ?
H47 C42 H48 109.5 . . ?
C41 C43 H49 109.5 . . ?
C41 C43 H50 109.5 . . ?
H49 C43 H50 109.5 . . ?
C41 C43 H51 109.5 . . ?
H49 C43 H51 109.5 . . ?
H50 C43 H51 109.5 . . ?
C41 C44 H52 109.5 . . ?
C41 C44 H53 109.5 . . ?
H52 C44 H53 109.5 . . ?
C41 C44 H54 109.5 . . ?
H52 C44 H54 109.5 . . ?
H53 C44 H54 109.5 . . ?
C48 C45 C47 108.8(3) . . ?
C48 C45 C39 112.4(2) . . ?
C47 C45 C39 111.1(2) . . ?
C48 C45 C46 108.4(3) . . ?
C47 C45 C46 109.2(3) . . ?
C39 C45 C46 106.9(2) . . ?
C45 C46 H55 109.5 . . ?
C45 C46 H56 109.5 . . ?
H55 C46 H56 109.5 . . ?
C45 C46 H57 109.5 . . ?
H55 C46 H57 109.5 . . ?
H56 C46 H57 109.5 . . ?
C45 C47 H58 109.5 . . ?
C45 C47 H59 109.5 . . ?
H58 C47 H59 109.5 . . ?
C45 C47 H60 109.5 . . ?
H58 C47 H60 109.5 . . ?
H59 C47 H60 109.5 . . ?
C45 C48 H61 109.5 . . ?
C45 C48 H62 109.5 . . ?
H61 C48 H62 109.5 . . ?
C45 C48 H63 109.5 . . ?
H61 C48 H63 109.5 . . ?
H62 C48 H63 109.5 . . ?
C50 C49 C54 119.4(2) . . ?
C50 C49 C15 120.4(2) . . ?
C54 C49 C15 120.2(2) . . ?
C49 C50 C51 121.1(2) . . ?
C49 C50 H15 119.5 . . ?
C51 C50 H15 119.5 . . ?
C52 C51 C50 118.0(2) . . ?
C52 C51 C55 122.7(2) . . ?
C50 C51 C55 119.3(2) . . ?
C51 C52 C53 122.5(2) . . ?
C51 C52 H16 118.8 . . ?
C53 C52 H16 118.8 . . ?
C54 C53 C52 117.6(2) . . ?
C54 C53 C59 121.9(2) . . ?
C52 C53 C59 120.4(2) . . ?
C53 C54 C49 121.5(2) . . ?
C53 C54 H17 119.3 . . ?
C49 C54 H17 119.3 . . ?
C58 C55 C51 112.4(2) . . ?
C58 C55 C56 108.7(2) . . ?
C51 C55 C56 109.7(2) . . ?
C58 C55 C57 107.3(2) . . ?
C51 C55 C57 109.05(19) . . ?
C56 C55 C57 109.6(2) . . ?
C55 C56 H64 109.5 . . ?
C55 C56 H65 109.5 . . ?
H64 C56 H65 109.5 . . ?
C55 C56 H66 109.5 . . ?
H64 C56 H66 109.5 . . ?
H65 C56 H66 109.5 . . ?
C55 C57 H67 109.5 . . ?
C55 C57 H68 109.5 . . ?
H67 C57 H68 109.5 . . ?
C55 C57 H69 109.5 . . ?
H67 C57 H69 109.5 . . ?
H68 C57 H69 109.5 . . ?
C55 C58 H70 109.5 . . ?
C55 C58 H71 109.5 . . ?
H70 C58 H71 109.5 . . ?
C55 C58 H72 109.5 . . ?
H70 C58 H72 109.5 . . ?
H71 C58 H72 109.5 . . ?
C62 C59 C60 111.0(3) . . ?
C62 C59 C61 109.6(3) . . ?
C60 C59 C61 105.6(3) . . ?
C62 C59 C53 107.9(2) . . ?
C60 C59 C53 111.2(2) . . ?
C61 C59 C53 111.6(2) . . ?
C59 C60 H73 109.5 . . ?
C59 C60 H74 109.5 . . ?
H73 C60 H74 109.5 . . ?
C59 C60 H75 109.5 . . ?
H73 C60 H75 109.5 . . ?
H74 C60 H75 109.5 . . ?
C59 C61 H76 109.5 . . ?
C59 C61 H77 109.5 . . ?
H76 C61 H77 109.5 . . ?
C59 C61 H78 109.5 . . ?
H76 C61 H78 109.5 . . ?
H77 C61 H78 109.5 . . ?
C59 C62 H79 109.5 . . ?
C59 C62 H80 109.5 . . ?
H79 C62 H80 109.5 . . ?
C59 C62 H81 109.5 . . ?
H79 C62 H81 109.5 . . ?
H80 C62 H81 109.5 . . ?
C64 C63 C68 118.1(3) . . ?
C64 C63 P1 118.6(2) . . ?
C68 C63 P1 123.3(2) . . ?
C65 C64 C63 121.3(3) . . ?
C65 C64 H18 119.3 . . ?
C63 C64 H18 119.3 . . ?
C66 C65 C64 120.1(3) . . ?
C66 C65 H19 119.9 . . ?
C64 C65 H19 119.9 . . ?
C67 C66 C65 119.5(3) . . ?
C67 C66 H20 120.2 . . ?
C65 C66 H20 120.2 . . ?
C66 C67 C68 121.3(3) . . ?
C66 C67 H21 119.3 . . ?
C68 C67 H21 119.3 . . ?
C67 C68 C63 119.6(3) . . ?
C67 C68 H22 120.2 . . ?
C63 C68 H22 120.2 . . ?
C74 C69 C70 118.9(2) . . ?
C74 C69 P1 119.77(19) . . ?
C70 C69 P1 121.3(2) . . ?
C71 C70 C69 120.0(3) . . ?
C71 C70 H23 120.0 . . ?
C69 C70 H23 120.0 . . ?
C72 C71 C70 120.6(3) . . ?
C72 C71 H24 119.7 . . ?
C70 C71 H24 119.7 . . ?
C71 C72 C73 119.8(3) . . ?
C71 C72 H25 120.1 . . ?
C73 C72 H25 120.1 . . ?
C72 C73 C74 119.9(3) . . ?
C72 C73 H26 120.0 . . ?
C74 C73 H26 120.0 . . ?
C69 C74 C73 120.6(3) . . ?
C69 C74 H27 119.7 . . ?
C73 C74 H27 119.7 . . ?
C76 C75 C80 118.0(3) . . ?
C102 C75 C103 118.3(8) . . ?
C102 C75 P1 125.9(6) . . ?
C76 C75 P1 124.5(2) . . ?
C80 C75 P1 117.5(2) . . ?
C103 C75 P1 115.7(6) . . ?
C77 C78 C79 120.0(3) . . ?
C104 C78 C105 117.6(9) . . ?
C77 C78 H122 120.0 . . ?
C79 C78 H122 120.0 . . ?
C104 C78 H123 121.2 . . ?
C105 C78 H123 121.2 . . ?
C86 C81 C82 117.8(7) . . ?
C86 C81 C87 120.9(6) . . ?
C82 C81 C87 121.3(5) . . ?
C83 C82 C81 123.2(5) . . ?
C83 C82 H82 118.4 . . ?
C81 C82 H82 118.4 . . ?
C82 C83 C84 117.9(7) . . ?
C82 C83 H83 121.0 . . ?
C84 C83 H83 121.0 . . ?
C85 C84 C83 116.5(7) . . ?
C85 C84 H84 121.8 . . ?
C83 C84 H84 121.8 . . ?
C86 C85 C84 123.0(5) . . ?
C86 C85 H85 118.5 . . ?
C84 C85 H85 118.5 . . ?
C81 C86 C85 121.5(6) . . ?
C81 C86 H86 119.3 . . ?
C85 C86 H86 119.3 . . ?
C81 C87 H102 109.5 . . ?
C81 C87 H103 109.5 . . ?
H102 C87 H103 109.5 . . ?
C81 C87 H104 109.5 . . ?
H102 C87 H104 109.5 . . ?
H103 C87 H104 109.5 . . ?
C89 C88 C93 117.7(3) . . ?
C89 C88 C94 122.0(3) . . ?
C93 C88 C94 120.3(3) . . ?
C88 C89 C90 121.5(3) . . ?
C88 C89 H87 119.2 . . ?
C90 C89 H87 119.2 . . ?
C91 C90 C89 120.2(3) . . ?
C91 C90 H88 119.9 . . ?
C89 C90 H88 119.9 . . ?
C92 C91 C90 118.6(3) . . ?
C92 C91 H89 120.7 . . ?
C90 C91 H89 120.7 . . ?
C91 C92 C93 121.0(3) . . ?
C91 C92 H90 119.5 . . ?
C93 C92 H90 119.5 . . ?
C92 C93 C88 121.0(3) . . ?
C92 C93 H91 119.5 . . ?
C88 C93 H91 119.5 . . ?
C88 C94 H105 109.5 . . ?
C88 C94 H106 109.5 . . ?
H105 C94 H106 109.5 . . ?
C88 C94 H107 109.5 . . ?
H105 C94 H107 109.5 . . ?
H106 C94 H107 109.5 . . ?
C4 N1 C1 105.22(19) . . ?
C4 N1 Ni1 127.87(15) . . ?
C1 N1 Ni1 126.74(15) . . ?
C9 N2 C6 105.82(17) . . ?
C9 N2 Ni1 127.58(15) . . ?
C6 N2 Ni1 126.32(15) . . ?
C14 N3 C11 105.29(19) . . ?
C14 N3 Ni1 127.40(15) . . ?
C11 N3 Ni1 127.22(15) . . ?
C19 N4 C16 105.88(17) . . ?
C19 N4 Ni1 127.77(15) . . ?
C16 N4 Ni1 125.98(15) . . ?
N1 Ni1 N4 89.38(8) . . ?
N1 Ni1 N2 90.36(8) . . ?
N4 Ni1 N2 173.76(8) . . ?
N1 Ni1 N3 175.89(8) . . ?
N4 Ni1 N3 90.36(8) . . ?
N2 Ni1 N3 90.34(8) . . ?
C63 P1 C75 103.28(12) . . ?
C63 P1 C69 102.67(12) . . ?
C75 P1 C69 103.92(11) . . ?
C63 P1 Pt1 112.95(8) . . ?
C75 P1 Pt1 114.33(8) . . ?
C69 P1 Pt1 117.99(8) . . ?
C20 Pt1 C20 180.0 . 2_666 ?
C20 Pt1 P1 91.75(6) . 2_666 ?
C20 Pt1 P1 88.25(6) 2_666 2_666 ?
C20 Pt1 P1 88.25(6) . . ?
C20 Pt1 P1 91.75(6) 2_666 . ?
P1 Pt1 P1 179.999(14) 2_666 . ?
C75 C76 C77 121.3(3) . . ?
C75 C76 H114 119.4 . . ?
C77 C76 H114 119.4 . . ?
C78 C77 C76 121.6(4) . . ?
C78 C77 H115 119.2 . . ?
C76 C77 H115 119.2 . . ?
C78 C79 C80 119.2(4) . . ?
C78 C79 H116 120.4 . . ?
C80 C79 H116 120.4 . . ?
C79 C80 C75 119.7(4) . . ?
C79 C80 H117 120.2 . . ?
C75 C80 H117 120.2 . . ?
C104 C102 C75 126.4(11) . . ?
C104 C102 H118 116.8 . . ?
C75 C102 H118 116.8 . . ?
C75 C103 C105 115.2(10) . . ?
C75 C103 H119 122.4 . . ?
C105 C103 H119 122.4 . . ?
C102 C104 C78 122.5(12) . . ?
C102 C104 H120 118.8 . . ?
C78 C104 H120 118.8 . . ?
C78 C105 C103 119.5(10) . . ?
C78 C105 H121 120.3 . . ?
C103 C105 H121 120.3 . . ?
C100 C95 C96 116.8(8) . . ?
C100 C95 C101 121.3(8) . . ?
C96 C95 C101 121.9(7) . . ?
C97 C96 C95 121.6(7) . . ?
C97 C96 H92 119.2 . . ?
C95 C96 H92 119.2 . . ?
C98 C97 C96 120.4(7) . . ?
C98 C97 H93 119.8 . . ?
C96 C97 H93 119.8 . . ?
C97 C98 C99 118.8(9) . . ?
C97 C98 H94 120.6 . . ?
C99 C98 H94 120.6 . . ?
C100 C99 C98 120.4(10) . . ?
C100 C99 H95 119.8 . . ?
C98 C99 H95 119.8 . . ?
C99 C100 C95 121.9(9) . . ?
C99 C100 H96 119.1 . . ?
C95 C100 H96 119.1 . . ?
C95 C101 H108 109.5 . . ?
C95 C101 H109 109.5 . . ?
H108 C101 H109 109.5 . . ?
C95 C101 H110 109.5 . . ?
H108 C101 H110 109.5 . . ?
H109 C101 H110 109.5 . . ?
C107 C106 C111 120.0 . . ?
C107 C106 C112 116.1(16) . . ?
C111 C106 C112 123.4(16) . . ?
C106 C107 C108 120.0 . . ?
C106 C107 H97 120.0 . . ?
C108 C107 H97 120.0 . . ?
C109 C108 C107 120.0 . . ?
C109 C108 H98 120.0 . . ?
C107 C108 H98 120.0 . . ?
C108 C109 C110 120.0 . . ?
C108 C109 H99 120.0 . . ?
C110 C109 H99 120.0 . . ?
C111 C110 C109 120.0 . . ?
C111 C110 H100 120.0 . . ?
C109 C110 H100 120.0 . . ?
C110 C111 C106 120.0 . . ?
C110 C111 H101 120.0 . . ?
C106 C111 H101 120.0 . . ?
C106 C112 H111 109.5 . . ?
C106 C112 H112 109.5 . . ?
H111 C112 H112 109.5 . . ?
C106 C112 H113 109.5 . . ?
H111 C112 H113 109.5 . . ?
H112 C112 H113 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 165.3(2) . . . . ?
N1 C1 C2 C3 -4.0(3) . . . . ?
C1 C2 C3 C4 3.4(3) . . . . ?
C2 C3 C4 N1 -1.8(3) . . . . ?
C2 C3 C4 C5 175.4(2) . . . . ?
N1 C4 C5 C6 12.8(3) . . . . ?
C3 C4 C5 C6 -163.9(2) . . . . ?
N1 C4 C5 C21 -173.4(2) . . . . ?
C3 C4 C5 C21 9.8(3) . . . . ?
C4 C5 C6 N2 -2.2(3) . . . . ?
C21 C5 C6 N2 -175.9(2) . . . . ?
C4 C5 C6 C7 166.9(2) . . . . ?
C21 C5 C6 C7 -6.8(3) . . . . ?
N2 C6 C7 C8 3.4(3) . . . . ?
C5 C6 C7 C8 -167.2(2) . . . . ?
C6 C7 C8 C9 -2.2(3) . . . . ?
C7 C8 C9 N2 0.4(3) . . . . ?
C7 C8 C9 C10 -175.4(2) . . . . ?
N2 C9 C10 C11 -12.8(4) . . . . ?
C8 C9 C10 C11 162.4(2) . . . . ?
N2 C9 C10 C35 176.5(2) . . . . ?
C8 C9 C10 C35 -8.4(3) . . . . ?
C9 C10 C11 N3 2.1(4) . . . . ?
C35 C10 C11 N3 172.5(2) . . . . ?
C9 C10 C11 C12 -167.1(2) . . . . ?
C35 C10 C11 C12 3.3(4) . . . . ?
N3 C11 C12 C13 -4.9(3) . . . . ?
C10 C11 C12 C13 165.6(2) . . . . ?
C11 C12 C13 C14 2.8(3) . . . . ?
C12 C13 C14 N3 0.2(3) . . . . ?
C12 C13 C14 C15 -179.1(2) . . . . ?
N3 C14 C15 C16 15.7(3) . . . . ?
C13 C14 C15 C16 -165.2(2) . . . . ?
N3 C14 C15 C49 -169.8(2) . . . . ?
C13 C14 C15 C49 9.3(3) . . . . ?
C14 C15 C16 N4 0.1(3) . . . . ?
C49 C15 C16 N4 -174.50(19) . . . . ?
C14 C15 C16 C17 166.9(2) . . . . ?
C49 C15 C16 C17 -7.6(3) . . . . ?
N4 C16 C17 C18 5.3(3) . . . . ?
C15 C16 C17 C18 -163.2(2) . . . . ?
C16 C17 C18 C19 -2.8(3) . . . . ?
C17 C18 C19 N4 -0.6(3) . . . . ?
C17 C18 C19 C20 -176.5(2) . . . . ?
N1 C1 C20 C19 6.8(3) . . . . ?
C2 C1 C20 C19 -160.7(2) . . . . ?
N1 C1 C20 Pt1 -178.11(16) . . . . ?
C2 C1 C20 Pt1 14.4(3) . . . . ?
N4 C19 C20 C1 -19.4(3) . . . . ?
C18 C19 C20 C1 155.8(2) . . . . ?
N4 C19 C20 Pt1 165.52(16) . . . . ?
C18 C19 C20 Pt1 -19.3(3) . . . . ?
C6 C5 C21 C26 -87.1(3) . . . . ?
C4 C5 C21 C26 99.0(3) . . . . ?
C6 C5 C21 C22 92.5(3) . . . . ?
C4 C5 C21 C22 -81.3(3) . . . . ?
C26 C21 C22 C23 -0.6(3) . . . . ?
C5 C21 C22 C23 179.7(2) . . . . ?
C21 C22 C23 C24 0.7(3) . . . . ?
C21 C22 C23 C27 178.6(2) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C27 C23 C24 C25 -178.0(2) . . . . ?
C23 C24 C25 C26 -0.5(4) . . . . ?
C23 C24 C25 C31 176.7(2) . . . . ?
C22 C21 C26 C25 0.0(3) . . . . ?
C5 C21 C26 C25 179.7(2) . . . . ?
C24 C25 C26 C21 0.6(3) . . . . ?
C31 C25 C26 C21 -176.7(2) . . . . ?
C22 C23 C27 C29 167.5(3) . . . . ?
C24 C23 C27 C29 -14.7(4) . . . . ?
C22 C23 C27 C28 -68.8(3) . . . . ?
C24 C23 C27 C28 109.1(3) . . . . ?
C22 C23 C27 C30 48.3(3) . . . . ?
C24 C23 C27 C30 -133.9(3) . . . . ?
C26 C25 C31 C32 -173.5(3) . . . . ?
C24 C25 C31 C32 9.3(4) . . . . ?
C26 C25 C31 C33 66.9(3) . . . . ?
C24 C25 C31 C33 -110.3(3) . . . . ?
C26 C25 C31 C34 -52.2(3) . . . . ?
C24 C25 C31 C34 130.6(3) . . . . ?
C9 C10 C35 C40 106.2(3) . . . . ?
C11 C10 C35 C40 -64.6(3) . . . . ?
C9 C10 C35 C36 -67.0(3) . . . . ?
C11 C10 C35 C36 122.2(2) . . . . ?
C40 C35 C36 C37 -0.2(3) . . . . ?
C10 C35 C36 C37 173.1(2) . . . . ?
C35 C36 C37 C38 0.2(3) . . . . ?
C35 C36 C37 C41 -178.9(2) . . . . ?
C36 C37 C38 C39 -0.2(3) . . . . ?
C41 C37 C38 C39 178.9(2) . . . . ?
C37 C38 C39 C40 0.3(4) . . . . ?
C37 C38 C39 C45 -175.2(2) . . . . ?
C36 C35 C40 C39 0.3(3) . . . . ?
C10 C35 C40 C39 -172.9(2) . . . . ?
C38 C39 C40 C35 -0.3(3) . . . . ?
C45 C39 C40 C35 175.3(2) . . . . ?
C36 C37 C41 C44 179.8(2) . . . . ?
C38 C37 C41 C44 0.8(3) . . . . ?
C36 C37 C41 C43 59.0(3) . . . . ?
C38 C37 C41 C43 -120.0(3) . . . . ?
C36 C37 C41 C42 -60.1(3) . . . . ?
C38 C37 C41 C42 120.9(3) . . . . ?
C40 C39 C45 C48 169.9(3) . . . . ?
C38 C39 C45 C48 -14.7(4) . . . . ?
C40 C39 C45 C47 47.7(3) . . . . ?
C38 C39 C45 C47 -136.9(3) . . . . ?
C40 C39 C45 C46 -71.3(3) . . . . ?
C38 C39 C45 C46 104.1(3) . . . . ?
C14 C15 C49 C50 -79.1(3) . . . . ?
C16 C15 C49 C50 95.5(3) . . . . ?
C14 C15 C49 C54 102.2(3) . . . . ?
C16 C15 C49 C54 -83.2(3) . . . . ?
C54 C49 C50 C51 0.3(3) . . . . ?
C15 C49 C50 C51 -178.4(2) . . . . ?
C49 C50 C51 C52 0.0(3) . . . . ?
C49 C50 C51 C55 179.4(2) . . . . ?
C50 C51 C52 C53 -0.3(4) . . . . ?
C55 C51 C52 C53 -179.7(2) . . . . ?
C51 C52 C53 C54 0.4(4) . . . . ?
C51 C52 C53 C59 177.8(2) . . . . ?
C52 C53 C54 C49 -0.1(3) . . . . ?
C59 C53 C54 C49 -177.5(2) . . . . ?
C50 C49 C54 C53 -0.2(3) . . . . ?
C15 C49 C54 C53 178.5(2) . . . . ?
C52 C51 C55 C58 -2.8(3) . . . . ?
C50 C51 C55 C58 177.8(2) . . . . ?
C52 C51 C55 C56 118.3(3) . . . . ?
C50 C51 C55 C56 -61.1(3) . . . . ?
C52 C51 C55 C57 -121.7(3) . . . . ?
C50 C51 C55 C57 58.9(3) . . . . ?
C54 C53 C59 C62 94.0(3) . . . . ?
C52 C53 C59 C62 -83.4(3) . . . . ?
C54 C53 C59 C60 -144.1(3) . . . . ?
C52 C53 C59 C60 38.6(3) . . . . ?
C54 C53 C59 C61 -26.5(4) . . . . ?
C52 C53 C59 C61 156.2(3) . . . . ?
C68 C63 C64 C65 0.1(4) . . . . ?
P1 C63 C64 C65 178.2(2) . . . . ?
C63 C64 C65 C66 0.0(5) . . . . ?
C64 C65 C66 C67 -0.5(6) . . . . ?
C65 C66 C67 C68 0.8(8) . . . . ?
C66 C67 C68 C63 -0.7(8) . . . . ?
C64 C63 C68 C67 0.2(6) . . . . ?
P1 C63 C68 C67 -177.8(4) . . . . ?
C74 C69 C70 C71 -2.1(4) . . . . ?
P1 C69 C70 C71 176.0(2) . . . . ?
C69 C70 C71 C72 -0.8(4) . . . . ?
C70 C71 C72 C73 2.7(4) . . . . ?
C71 C72 C73 C74 -1.7(4) . . . . ?
C70 C69 C74 C73 3.1(3) . . . . ?
P1 C69 C74 C73 -175.04(18) . . . . ?
C72 C73 C74 C69 -1.3(4) . . . . ?
C86 C81 C82 C83 -1.5(9) . . . . ?
C87 C81 C82 C83 -179.1(7) . . . . ?
C81 C82 C83 C84 -0.9(12) . . . . ?
C82 C83 C84 C85 1.6(11) . . . . ?
C83 C84 C85 C86 -0.1(10) . . . . ?
C82 C81 C86 C85 3.1(8) . . . . ?
C87 C81 C86 C85 -179.4(5) . . . . ?
C84 C85 C86 C81 -2.4(9) . . . . ?
C93 C88 C89 C90 1.1(5) . . . . ?
C94 C88 C89 C90 -176.9(3) . . . . ?
C88 C89 C90 C91 0.1(5) . . . . ?
C89 C90 C91 C92 -0.6(5) . . . . ?
C90 C91 C92 C93 0.0(5) . . . . ?
C91 C92 C93 C88 1.2(6) . . . . ?
C89 C88 C93 C92 -1.7(6) . . . . ?
C94 C88 C93 C92 176.3(4) . . . . ?
C5 C4 N1 C1 -177.8(2) . . . . ?
C3 C4 N1 C1 -0.7(2) . . . . ?
C5 C4 N1 Ni1 -2.2(3) . . . . ?
C3 C4 N1 Ni1 174.93(15) . . . . ?
C20 C1 N1 C4 -166.2(2) . . . . ?
C2 C1 N1 C4 2.8(2) . . . . ?
C20 C1 N1 Ni1 18.1(3) . . . . ?
C2 C1 N1 Ni1 -172.88(15) . . . . ?
C10 C9 N2 C6 177.5(2) . . . . ?
C8 C9 N2 C6 1.7(2) . . . . ?
C10 C9 N2 Ni1 3.4(3) . . . . ?
C8 C9 N2 Ni1 -172.44(16) . . . . ?
C5 C6 N2 C9 167.4(2) . . . . ?
C7 C6 N2 C9 -3.1(2) . . . . ?
C5 C6 N2 Ni1 -18.4(3) . . . . ?
C7 C6 N2 Ni1 171.14(16) . . . . ?
C15 C14 N3 C11 176.1(2) . . . . ?
C13 C14 N3 C11 -3.1(2) . . . . ?
C15 C14 N3 Ni1 -7.2(3) . . . . ?
C13 C14 N3 Ni1 173.54(15) . . . . ?
C10 C11 N3 C14 -165.8(2) . . . . ?
C12 C11 N3 C14 4.8(2) . . . . ?
C10 C11 N3 Ni1 17.6(3) . . . . ?
C12 C11 N3 Ni1 -171.82(16) . . . . ?
C20 C19 N4 C16 179.7(2) . . . . ?
C18 C19 N4 C16 3.9(2) . . . . ?
C20 C19 N4 Ni1 6.3(3) . . . . ?
C18 C19 N4 Ni1 -169.43(15) . . . . ?
C15 C16 N4 C19 162.9(2) . . . . ?
C17 C16 N4 C19 -5.6(2) . . . . ?
C15 C16 N4 Ni1 -23.6(3) . . . . ?
C17 C16 N4 Ni1 167.83(15) . . . . ?
C64 C63 P1 C75 178.6(2) . . . . ?
C68 C63 P1 C75 -3.4(3) . . . . ?
C64 C63 P1 C69 -73.6(2) . . . . ?
C68 C63 P1 C69 104.4(3) . . . . ?
C64 C63 P1 Pt1 54.6(2) . . . . ?
C68 C63 P1 Pt1 -127.4(3) . . . . ?
C102 C75 P1 C63 -96.8(10) . . . . ?
C76 C75 P1 C63 118.6(3) . . . . ?
C80 C75 P1 C63 -60.7(3) . . . . ?
C103 C75 P1 C63 79.2(8) . . . . ?
C102 C75 P1 C69 156.3(10) . . . . ?
C76 C75 P1 C69 11.7(3) . . . . ?
C80 C75 P1 C69 -167.6(3) . . . . ?
C103 C75 P1 C69 -27.7(8) . . . . ?
C102 C75 P1 Pt1 26.4(10) . . . . ?
C76 C75 P1 Pt1 -118.3(3) . . . . ?
C80 C75 P1 Pt1 62.4(3) . . . . ?
C103 C75 P1 Pt1 -157.7(8) . . . . ?
C74 C69 P1 C63 -177.59(19) . . . . ?
C70 C69 P1 C63 4.3(2) . . . . ?
C74 C69 P1 C75 -70.2(2) . . . . ?
C70 C69 P1 C75 111.6(2) . . . . ?
C74 C69 P1 Pt1 57.5(2) . . . . ?
C70 C69 P1 Pt1 -120.61(18) . . . . ?
C80 C75 C76 C77 2.1(6) . . . . ?
P1 C75 C76 C77 -177.2(3) . . . . ?
C79 C78 C77 C76 -6.1(7) . . . . ?
C75 C76 C77 C78 2.2(8) . . . . ?
C77 C78 C79 C80 5.6(7) . . . . ?
C78 C79 C80 C75 -1.2(7) . . . . ?
C76 C75 C80 C79 -2.5(6) . . . . ?
P1 C75 C80 C79 176.8(3) . . . . ?
C103 C75 C102 C104 -6(2) . . . . ?
P1 C75 C102 C104 170.0(14) . . . . ?
C102 C75 C103 C105 -0.3(19) . . . . ?
P1 C75 C103 C105 -176.6(11) . . . . ?
C75 C102 C104 C78 10(3) . . . . ?
C105 C78 C104 C102 -7(2) . . . . ?
C104 C78 C105 C103 1(2) . . . . ?
C75 C103 C105 C78 2(2) . . . . ?
C100 C95 C96 C97 0.8(14) . . . . ?
C101 C95 C96 C97 -177.3(9) . . . . ?
C95 C96 C97 C98 -0.8(16) . . . . ?
C96 C97 C98 C99 -2.1(15) . . . . ?
C97 C98 C99 C100 5.0(15) . . . . ?
C98 C99 C100 C95 -5.1(16) . . . . ?
C96 C95 C100 C99 2.2(13) . . . . ?
C101 C95 C100 C99 -179.8(9) . . . . ?
C111 C106 C107 C108 0.0 . . . . ?
C112 C106 C107 C108 172.1(19) . . . . ?
C106 C107 C108 C109 0.0 . . . . ?
C107 C108 C109 C110 0.0 . . . . ?
C108 C109 C110 C111 0.0 . . . . ?
C109 C110 C111 C106 0.0 . . . . ?
C107 C106 C111 C110 0.0 . . . . ?
C112 C106 C111 C110 -172(2) . . . . ?

_refine_diff_density_max         1.779
_refine_diff_density_min         -0.657
_refine_diff_density_rms         0.065



####################################################################### 
# 
# 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_161008NF_a
_database_code_depnum_ccdc_archive 'CCDC 1529198'
_audit_update_record             
;
2017-01-23 deposited with the CCDC.
2017-02-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C132 H154 N8 Ni2 Pt, 5(C6 H4 Cl2)'
_chemical_formula_sum            'C162 H174 Cl10 N8 Ni2 Pt'
_chemical_formula_weight         2900.09

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'

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

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

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

_cell_length_a                   16.142(3)
_cell_length_b                   21.227(4)
_cell_length_c                   22.446(4)
_cell_angle_alpha                106.100(5)
_cell_angle_beta                 92.1320(10)
_cell_angle_gamma                93.364(6)
_cell_volume                     7365(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    5280
_cell_measurement_theta_min      31.4
_cell_measurement_theta_max      68.2

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_F_000             3012
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.111
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.641
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_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_reflns_number            96546
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         6.612
_diffrn_reflns_theta_max         68.604
_diffrn_reflns_theta_full        67.687
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measured_fraction_theta_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_point_group_measured_fraction_full 0.961
_reflns_number_total             25971
_reflns_number_gt                21969
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1126P)²+10.5920P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         25971
_refine_ls_number_parameters     1697
_refine_ls_number_restraints     2544
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0581
_refine_ls_wR_factor_ref         0.1669
_refine_ls_wR_factor_gt          0.1606
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.5599(3) 0.5160(2) 0.1243(2) 0.0204(9) Uani 1 1 d . U . . .
C2 C 0.5795(3) 0.4503(2) 0.1183(2) 0.0229(10) Uani 1 1 d . U . . .
H1 H 0.6253 0.4294 0.0979 0.027 Uiso 1 1 calc R U . . .
C3 C 0.5211(3) 0.4227(2) 0.1471(2) 0.0246(10) Uani 1 1 d . U . . .
H2 H 0.5167 0.3784 0.1486 0.030 Uiso 1 1 calc R U . . .
C4 C 0.4675(3) 0.4725(2) 0.1746(2) 0.0218(10) Uani 1 1 d . U . . .
C5 C 0.4069(3) 0.4653(2) 0.2152(2) 0.0229(10) Uani 1 1 d . U . . .
C6 C 0.3732(3) 0.5199(2) 0.2539(2) 0.0225(10) Uani 1 1 d . U . . .
C7 C 0.3221(3) 0.5188(3) 0.3048(2) 0.0271(11) Uani 1 1 d . U . . .
H3 H 0.2996 0.4808 0.3147 0.033 Uiso 1 1 calc R U . . .
C8 C 0.3120(3) 0.5815(3) 0.3358(2) 0.0284(11) Uani 1 1 d . U . . .
H4 H 0.2832 0.5959 0.3727 0.034 Uiso 1 1 calc R U . . .
C9 C 0.3526(3) 0.6228(3) 0.3032(2) 0.0245(10) Uani 1 1 d . U . . .
C10 C 0.3446(3) 0.6894(2) 0.3163(2) 0.0235(10) Uani 1 1 d . U . . .
C11 C 0.3675(3) 0.7250(2) 0.2753(2) 0.0234(10) Uani 1 1 d . U . . .
C12 C 0.3438(3) 0.7901(2) 0.2808(2) 0.0275(11) Uani 1 1 d . U . . .
H5 H 0.3204 0.8184 0.3157 0.033 Uiso 1 1 calc R U . . .
C13 C 0.3609(3) 0.8038(2) 0.2272(2) 0.0259(10) Uani 1 1 d . U . . .
H6 H 0.3499 0.8429 0.2165 0.031 Uiso 1 1 calc R U . . .
C14 C 0.3987(3) 0.7484(2) 0.1894(2) 0.0218(10) Uani 1 1 d . U . . .
C15 C 0.4292(3) 0.7446(2) 0.1317(2) 0.0221(10) Uani 1 1 d . U . . .
C16 C 0.4790(3) 0.6947(2) 0.1024(2) 0.0212(9) Uani 1 1 d . U . . .
C17 C 0.5283(3) 0.6979(2) 0.0522(2) 0.0244(10) Uani 1 1 d . U . . .
H7 H 0.5249 0.7281 0.0281 0.029 Uiso 1 1 calc R U . . .
C18 C 0.5813(3) 0.6493(2) 0.0451(2) 0.0243(10) Uani 1 1 d . U . . .
H8 H 0.6237 0.6404 0.0163 0.029 Uiso 1 1 calc R U . . .
C19 C 0.5613(3) 0.6139(2) 0.0896(2) 0.0202(9) Uani 1 1 d . U . . .
C20 C 0.5983(3) 0.5573(2) 0.0931(2) 0.0203(9) Uani 1 1 d . U . . .
C21 C 0.3830(3) 0.3983(2) 0.2207(2) 0.0259(10) Uani 1 1 d . U . . .
C22 C 0.3879(3) 0.3834(3) 0.2774(2) 0.0276(11) Uani 1 1 d . U . . .
H17 H 0.4096 0.4161 0.3136 0.033 Uiso 1 1 calc R U . . .
C23 C 0.3612(3) 0.3207(3) 0.2816(3) 0.0328(12) Uani 1 1 d . U . . .
C24 C 0.3332(3) 0.2740(3) 0.2280(3) 0.0372(13) Uani 1 1 d . U . . .
H18 H 0.3151 0.2316 0.2308 0.045 Uiso 1 1 calc R U . . .
C25 C 0.3549(3) 0.3486(3) 0.1672(3) 0.0305(11) Uani 1 1 d . U . . .
H19 H 0.3527 0.3582 0.1283 0.037 Uiso 1 1 calc R U . . .
C26 C 0.3299(3) 0.2852(3) 0.1699(3) 0.0329(12) Uani 1 1 d . U . . .
C27 C 0.3626(4) 0.3084(3) 0.3465(3) 0.0440(15) Uani 1 1 d . U . . .
C28 C 0.2999(8) 0.3484(6) 0.3841(5) 0.120(5) Uani 1 1 d . U . . .
H35 H 0.2448 0.3362 0.3627 0.181 Uiso 1 1 calc R U . . .
H36 H 0.2992 0.3403 0.4250 0.181 Uiso 1 1 calc R U . . .
H37 H 0.3145 0.3952 0.3893 0.181 Uiso 1 1 calc R U . . .
C29 C 0.4477(7) 0.3250(7) 0.3768(4) 0.109(4) Uani 1 1 d . U . . .
H38 H 0.4870 0.2978 0.3508 0.164 Uiso 1 1 calc R U . . .
H39 H 0.4637 0.3715 0.3819 0.164 Uiso 1 1 calc R U . . .
H40 H 0.4483 0.3166 0.4176 0.164 Uiso 1 1 calc R U . . .
C30 C 0.3402(9) 0.2360(5) 0.3414(5) 0.123(5) Uani 1 1 d . U . . .
H41 H 0.2843 0.2232 0.3216 0.184 Uiso 1 1 calc R U . . .
H42 H 0.3804 0.2088 0.3164 0.184 Uiso 1 1 calc R U . . .
H43 H 0.3416 0.2295 0.3830 0.184 Uiso 1 1 calc R U . . .
C31 C 0.3036(5) 0.2317(3) 0.1101(3) 0.0500(16) Uani 1 1 d . U . . .
C32 C 0.3847(6) 0.2113(4) 0.0759(4) 0.075(2) Uani 1 1 d . U . . .
H44 H 0.4218 0.1943 0.1024 0.112 Uiso 1 1 calc R U . . .
H45 H 0.3704 0.1771 0.0369 0.112 Uiso 1 1 calc R U . . .
H46 H 0.4126 0.2497 0.0671 0.112 Uiso 1 1 calc R U . . .
C33 C 0.2619(6) 0.1706(4) 0.1224(4) 0.071(2) Uani 1 1 d . U . . .
H47 H 0.2991 0.1543 0.1493 0.107 Uiso 1 1 calc R U . . .
H48 H 0.2100 0.1817 0.1428 0.107 Uiso 1 1 calc R U . . .
H49 H 0.2499 0.1366 0.0829 0.107 Uiso 1 1 calc R U . . .
C34 C 0.2468(6) 0.2579(4) 0.0684(4) 0.082(3) Uani 1 1 d . U . . .
H50 H 0.2743 0.2972 0.0609 0.123 Uiso 1 1 calc R U . . .
H51 H 0.2347 0.2242 0.0287 0.123 Uiso 1 1 calc R U . . .
H52 H 0.1948 0.2693 0.0886 0.123 Uiso 1 1 calc R U . . .
C35 C 0.2937(3) 0.7218(3) 0.3695(2) 0.0287(11) Uani 1 1 d . U . . .
C36 C 0.3286(4) 0.7626(3) 0.4253(3) 0.0428(15) Uani 1 1 d . U . . .
H20 H 0.3873 0.7695 0.4317 0.051 Uiso 1 1 calc R U . . .
C37 C 0.2771(4) 0.7939(3) 0.4726(3) 0.0481(16) Uani 1 1 d . U . . .
C38 C 0.1923(4) 0.7814(3) 0.4620(3) 0.0393(14) Uani 1 1 d . U . . .
H21 H 0.1573 0.8019 0.4937 0.047 Uiso 1 1 calc R U . . .
C39 C 0.1559(4) 0.7399(3) 0.4068(3) 0.0360(12) Uani 1 1 d . U . . .
C40 C 0.2076(3) 0.7106(3) 0.3609(2) 0.0304(11) Uani 1 1 d . U . . .
H22 H 0.1839 0.6823 0.3228 0.037 Uiso 1 1 calc R U . . .
C41 C 0.3181(7) 0.8377(4) 0.5331(4) 0.089(3) Uani 1 1 d . U . . .
C42 C 0.3642(13) 0.8953(8) 0.5190(6) 0.238(10) Uani 1 1 d . U . . .
H53 H 0.3255 0.9180 0.4989 0.357 Uiso 1 1 calc R U . . .
H54 H 0.3884 0.9258 0.5578 0.357 Uiso 1 1 calc R U . . .
H55 H 0.4086 0.8796 0.4912 0.357 Uiso 1 1 calc R U . . .
C43 C 0.3746(7) 0.8008(8) 0.5642(5) 0.152(6) Uani 1 1 d . U . . .
H56 H 0.3426 0.7638 0.5726 0.229 Uiso 1 1 calc R U . . .
H57 H 0.4191 0.7841 0.5367 0.229 Uiso 1 1 calc R U . . .
H58 H 0.3990 0.8304 0.6033 0.229 Uiso 1 1 calc R U . . .
C44 C 0.2529(7) 0.8664(5) 0.5802(4) 0.091(3) Uani 1 1 d . U . . .
H59 H 0.2148 0.8909 0.5616 0.137 Uiso 1 1 calc R U . . .
H60 H 0.2214 0.8305 0.5908 0.137 Uiso 1 1 calc R U . . .
H61 H 0.2811 0.8960 0.6178 0.137 Uiso 1 1 calc R U . . .
C45 C 0.0608(4) 0.7290(4) 0.3978(3) 0.0554(18) Uani 1 1 d . U . . .
C46 C 0.0273(5) 0.7019(5) 0.4480(4) 0.078(3) Uani 1 1 d . U . . .
H62 H 0.0465 0.7312 0.4888 0.117 Uiso 1 1 calc R U . . .
H63 H -0.0336 0.6986 0.4444 0.117 Uiso 1 1 calc R U . . .
H64 H 0.0471 0.6581 0.4436 0.117 Uiso 1 1 calc R U . . .
C47 C 0.0253(7) 0.7967(6) 0.4041(5) 0.110(4) Uani 1 1 d . U . . .
H65 H 0.0423 0.8265 0.4451 0.164 Uiso 1 1 calc R U . . .
H66 H 0.0467 0.8152 0.3718 0.164 Uiso 1 1 calc R U . . .
H67 H -0.0355 0.7911 0.3993 0.164 Uiso 1 1 calc R U . . .
C48 C 0.0331(5) 0.6861(6) 0.3349(4) 0.096(4) Uani 1 1 d . U . . .
H68 H 0.0559 0.7050 0.3033 0.143 Uiso 1 1 calc R U . . .
H69 H 0.0529 0.6422 0.3297 0.143 Uiso 1 1 calc R U . . .
H70 H -0.0277 0.6827 0.3304 0.143 Uiso 1 1 calc R U . . .
C49 C 0.4137(3) 0.7976(2) 0.1009(2) 0.0232(10) Uani 1 1 d . U . . .
C50 C 0.3710(3) 0.7797(2) 0.0430(2) 0.0247(10) Uani 1 1 d . U . . .
H23 H 0.3507 0.7353 0.0253 0.030 Uiso 1 1 calc R U . . .
C51 C 0.3572(3) 0.8256(3) 0.0107(2) 0.0310(11) Uani 1 1 d . U . . .
C52 C 0.3862(3) 0.8901(3) 0.0381(3) 0.0330(12) Uani 1 1 d . U . . .
H24 H 0.3765 0.9220 0.0167 0.040 Uiso 1 1 calc R U . . .
C53 C 0.4293(3) 0.9101(3) 0.0963(3) 0.0326(12) Uani 1 1 d . U . . .
C54 C 0.4443(3) 0.8620(2) 0.1265(2) 0.0275(11) Uani 1 1 d . U . . .
H25 H 0.4758 0.8738 0.1650 0.033 Uiso 1 1 calc R U . . .
C55 C 0.3105(4) 0.8047(3) -0.0533(3) 0.0428(14) Uani 1 1 d . U . . .
C56 C 0.3278(11) 0.7397(5) -0.0886(5) 0.155(6) Uani 1 1 d . U . . .
H71 H 0.3880 0.7373 -0.0919 0.232 Uiso 1 1 calc R U . . .
H72 H 0.3065 0.7077 -0.0677 0.232 Uiso 1 1 calc R U . . .
H73 H 0.3007 0.7298 -0.1303 0.232 Uiso 1 1 calc R U . . .
C57 C 0.2236(8) 0.8107(12) -0.0473(5) 0.220(8) Uani 1 1 d . U . . .
H74 H 0.2139 0.8555 -0.0231 0.329 Uiso 1 1 calc R U . . .
H75 H 0.1955 0.8014 -0.0886 0.329 Uiso 1 1 calc R U . . .
H76 H 0.2014 0.7793 -0.0261 0.329 Uiso 1 1 calc R U . . .
C58 C 0.3376(12) 0.8450(6) -0.0930(5) 0.165(7) Uani 1 1 d . U . . .
H77 H 0.3974 0.8421 -0.0982 0.248 Uiso 1 1 calc R U . . .
H78 H 0.3075 0.8291 -0.1336 0.248 Uiso 1 1 calc R U . . .
H79 H 0.3263 0.8908 -0.0737 0.248 Uiso 1 1 calc R U . . .
C59 C 0.4652(4) 0.9811(3) 0.1253(3) 0.0455(15) Uani 1 1 d . U . . .
C60 C 0.4427(6) 1.0040(3) 0.1928(4) 0.069(2) Uani 1 1 d . U . . .
H80 H 0.4637 0.9741 0.2153 0.103 Uiso 1 1 calc R U . . .
H81 H 0.4679 1.0485 0.2119 0.103 Uiso 1 1 calc R U . . .
H82 H 0.3822 1.0040 0.1947 0.103 Uiso 1 1 calc R U . . .
C61 C 0.5597(5) 0.9830(3) 0.1213(4) 0.0582(19) Uani 1 1 d . U . . .
H83 H 0.5734 0.9682 0.0777 0.087 Uiso 1 1 calc R U . . .
H84 H 0.5837 1.0280 0.1398 0.087 Uiso 1 1 calc R U . . .
H85 H 0.5826 0.9539 0.1439 0.087 Uiso 1 1 calc R U . . .
C62 C 0.4320(5) 1.0284(3) 0.0912(4) 0.063(2) Uani 1 1 d . U . . .
H86 H 0.4461 1.0143 0.0477 0.095 Uiso 1 1 calc R U . . .
H87 H 0.3715 1.0283 0.0935 0.095 Uiso 1 1 calc R U . . .
H88 H 0.4572 1.0729 0.1107 0.095 Uiso 1 1 calc R U . . .
C63 C 0.6500(3) 0.4485(3) -0.0234(2) 0.0305(10) Uani 1 1 d . U . . .
H143 H 0.6026 0.4456 -0.0001 0.037 Uiso 1 1 calc R U . . .
C64 C 0.6566(3) 0.5010(3) -0.0473(2) 0.0272(10) Uani 1 1 d . U . . .
H144 H 0.6174 0.5333 -0.0365 0.033 Uiso 1 1 calc R U . . .
C65 C 0.7237(3) 0.5099(3) -0.0902(3) 0.0352(11) Uani 1 1 d . U . . .
H145 H 0.7371 0.4658 -0.1154 0.042 Uiso 1 1 calc R U . . .
H146 H 0.7009 0.5330 -0.1191 0.042 Uiso 1 1 calc R U . . .
C66 C 0.8038(3) 0.5472(3) -0.0593(3) 0.0354(11) Uani 1 1 d . U . . .
H147 H 0.8494 0.5327 -0.0871 0.043 Uiso 1 1 calc R U . . .
H148 H 0.7989 0.5945 -0.0550 0.043 Uiso 1 1 calc R U . . .
C67 C 0.8278(3) 0.5396(3) 0.0036(2) 0.0282(10) Uani 1 1 d . U . . .
H149 H 0.8475 0.5784 0.0348 0.034 Uiso 1 1 calc R U . . .
C68 C 0.8242(3) 0.4822(3) 0.0206(3) 0.0295(10) Uani 1 1 d . U . . .
H150 H 0.8376 0.4844 0.0628 0.035 Uiso 1 1 calc R U . . .
C69 C 0.8001(4) 0.4158(3) -0.0242(3) 0.0391(11) Uani 1 1 d . U . . .
H151 H 0.8306 0.3823 -0.0111 0.047 Uiso 1 1 calc R U . . .
H152 H 0.8180 0.4161 -0.0659 0.047 Uiso 1 1 calc R U . . .
C70 C 0.7080(4) 0.3954(3) -0.0294(3) 0.0384(11) Uani 1 1 d . U . . .
H153 H 0.6951 0.3626 -0.0702 0.046 Uiso 1 1 calc R U . . .
H154 H 0.6963 0.3731 0.0030 0.046 Uiso 1 1 calc R U . . .
C71 C 0.7814(3) 0.6598(2) 0.1427(2) 0.0204(9) Uani 1 1 d . U . . .
C72 C 0.7887(3) 0.6882(2) 0.0921(2) 0.0252(10) Uani 1 1 d . U . . .
H9 H 0.7682 0.6687 0.0504 0.030 Uiso 1 1 calc R U . . .
C73 C 0.8306(3) 0.7482(2) 0.1147(2) 0.0271(11) Uani 1 1 d . U . . .
H10 H 0.8476 0.7774 0.0914 0.033 Uiso 1 1 calc R U . . .
C74 C 0.8438(3) 0.7589(2) 0.1798(2) 0.0244(10) Uani 1 1 d . U . . .
C75 C 0.8755(3) 0.8181(2) 0.2209(3) 0.0298(11) Uani 1 1 d . U . . .
C76 C 0.8608(4) 0.8330(3) 0.2829(3) 0.0350(12) Uani 1 1 d . U . . .
C77 C 0.8694(5) 0.8979(3) 0.3251(3) 0.0523(17) Uani 1 1 d . U . . .
H11 H 0.8930 0.9363 0.3166 0.063 Uiso 1 1 calc R U . . .
C78 C 0.8380(5) 0.8945(3) 0.3789(4) 0.0562(18) Uani 1 1 d . U . . .
H12 H 0.8332 0.9303 0.4148 0.067 Uiso 1 1 calc R U . . .
C79 C 0.8131(4) 0.8264(3) 0.3721(3) 0.0430(14) Uani 1 1 d . U . . .
C80 C 0.7915(4) 0.8007(3) 0.4213(3) 0.0436(14) Uani 1 1 d . U . . .
C81 C 0.7881(4) 0.7349(3) 0.4150(3) 0.0388(13) Uani 1 1 d . U . . .
C82 C 0.7806(4) 0.7054(4) 0.4654(3) 0.0469(16) Uani 1 1 d . U . . .
H13 H 0.7675 0.7275 0.5066 0.056 Uiso 1 1 calc R U . . .
C83 C 0.7949(4) 0.6425(3) 0.4450(3) 0.0416(14) Uani 1 1 d . U . . .
H14 H 0.7965 0.6119 0.4689 0.050 Uiso 1 1 calc R U . . .
C84 C 0.8078(3) 0.6292(3) 0.3796(2) 0.0317(12) Uani 1 1 d . U . . .
C85 C 0.8228(3) 0.5690(3) 0.3408(2) 0.0285(11) Uani 1 1 d . U . . .
C86 C 0.8164(3) 0.5566(2) 0.2764(2) 0.0247(10) Uani 1 1 d . U . . .
C87 C 0.8081(3) 0.4921(2) 0.2347(2) 0.0262(10) Uani 1 1 d . U . . .
H15 H 0.8196 0.4524 0.2441 0.031 Uiso 1 1 calc R U . . .
C88 C 0.7804(3) 0.4982(2) 0.1788(2) 0.0234(10) Uani 1 1 d . U . . .
H16 H 0.7660 0.4634 0.1422 0.028 Uiso 1 1 calc R U . . .
C89 C 0.7771(3) 0.5671(2) 0.1853(2) 0.0211(9) Uani 1 1 d . U . . .
C90 C 0.7601(3) 0.5933(2) 0.1360(2) 0.0187(9) Uani 1 1 d . U . . .
C91 C 0.9204(3) 0.8672(2) 0.1940(3) 0.0334(12) Uani 1 1 d . U . . .
C92 C 0.8766(4) 0.9119(3) 0.1728(3) 0.0444(15) Uani 1 1 d . U . . .
H26 H 0.8184 0.9133 0.1775 0.053 Uiso 1 1 calc R U . . .
C93 C 0.9179(4) 0.9549(3) 0.1447(3) 0.0478(15) Uani 1 1 d . U . . .
C94 C 1.0041(4) 0.9530(3) 0.1404(3) 0.0396(13) Uani 1 1 d . U . . .
H27 H 1.0329 0.9830 0.1225 0.048 Uiso 1 1 calc R U . . .
C95 C 1.0483(3) 0.9090(3) 0.1612(3) 0.0332(12) Uani 1 1 d . U . . .
C96 C 1.0052(3) 0.8662(2) 0.1884(2) 0.0301(11) Uani 1 1 d . U . . .
H28 H 1.0348 0.8358 0.2034 0.036 Uiso 1 1 calc R U . . .
C97 C 0.8704(5) 1.0041(4) 0.1206(5) 0.070(2) Uani 1 1 d . U . . .
C98 C 0.9088(9) 1.0784(5) 0.1637(7) 0.127(5) Uani 1 1 d . U . . .
H89 H 0.9689 1.0828 0.1593 0.191 Uiso 1 1 calc R U . . .
H90 H 0.8822 1.1124 0.1495 0.191 Uiso 1 1 calc R U . . .
H91 H 0.8979 1.0835 0.2073 0.191 Uiso 1 1 calc R U . . .
C99 C 0.8983(8) 1.0106(7) 0.0619(6) 0.126(5) Uani 1 1 d . U . . .
H92 H 0.9591 1.0124 0.0628 0.189 Uiso 1 1 calc R U . . .
H93 H 0.8754 0.9727 0.0282 0.189 Uiso 1 1 calc R U . . .
H94 H 0.8791 1.0511 0.0550 0.189 Uiso 1 1 calc R U . . .
C100 C 0.7863(8) 1.0007(9) 0.1285(10) 0.192(7) Uani 1 1 d . U . . .
H95 H 0.7765 0.9964 0.1701 0.288 Uiso 1 1 calc R U . . .
H96 H 0.7631 1.0409 0.1239 0.288 Uiso 1 1 calc R U . . .
H97 H 0.7594 0.9625 0.0972 0.288 Uiso 1 1 calc R U . . .
C101 C 1.1425(4) 0.9066(3) 0.1550(3) 0.0395(13) Uani 1 1 d . U . . .
C102 C 1.1770(5) 0.9505(4) 0.1170(4) 0.066(2) Uani 1 1 d . U . . .
H98 H 1.2371 0.9471 0.1146 0.100 Uiso 1 1 calc R U . . .
H99 H 1.1503 0.9365 0.0751 0.100 Uiso 1 1 calc R U . . .
H100 H 1.1657 0.9962 0.1370 0.100 Uiso 1 1 calc R U . . .
C103 C 1.1863(4) 0.9264(4) 0.2201(4) 0.0585(19) Uani 1 1 d . U . . .
H101 H 1.1638 0.8979 0.2442 0.088 Uiso 1 1 calc R U . . .
H102 H 1.2461 0.9216 0.2164 0.088 Uiso 1 1 calc R U . . .
H103 H 1.1771 0.9722 0.2411 0.088 Uiso 1 1 calc R U . . .
C104 C 1.1627(4) 0.8356(3) 0.1218(3) 0.0502(16) Uani 1 1 d . U . . .
H104 H 1.1414 0.8058 0.1450 0.075 Uiso 1 1 calc R U . . .
H105 H 1.1366 0.8224 0.0796 0.075 Uiso 1 1 calc R U . . .
H106 H 1.2231 0.8336 0.1196 0.075 Uiso 1 1 calc R U . . .
C105 C 0.7903(4) 0.8466(4) 0.4856(3) 0.0526(16) Uani 1 1 d . U . . .
C106 C 0.7226(4) 0.8831(3) 0.5053(3) 0.0468(15) Uani 1 1 d . U . . .
H29 H 0.6755 0.8787 0.4774 0.056 Uiso 1 1 calc R U . . .
C107 C 0.7220(5) 0.9261(4) 0.5650(3) 0.0619(19) Uani 1 1 d . U . . .
C108 C 0.7927(5) 0.9265(4) 0.6066(4) 0.069(2) Uani 1 1 d . U . . .
H30 H 0.7935 0.9544 0.6478 0.083 Uiso 1 1 calc R U . . .
C109 C 0.8608(5) 0.8876(4) 0.5892(3) 0.0604(19) Uani 1 1 d . U . . .
C110 C 0.8576(5) 0.8481(3) 0.5290(3) 0.0546(17) Uani 1 1 d . U . . .
H31 H 0.9018 0.8207 0.5160 0.066 Uiso 1 1 calc R U . . .
C111 C 0.6442(6) 0.9598(5) 0.5914(4) 0.090(3) Uani 1 1 d . U . . .
C112 C 0.6757(10) 1.0338(6) 0.6211(7) 0.197(9) Uani 1 1 d . U . . .
H107 H 0.7005 1.0515 0.5893 0.295 Uiso 1 1 calc R U . . .
H108 H 0.6288 1.0592 0.6376 0.295 Uiso 1 1 calc R U . . .
H109 H 0.7175 1.0370 0.6548 0.295 Uiso 1 1 calc R U . . .
C113 C 0.6057(7) 0.9288(9) 0.6360(5) 0.147(6) Uani 1 1 d . U . . .
H110 H 0.5564 0.9516 0.6516 0.220 Uiso 1 1 calc R U . . .
H111 H 0.5893 0.8825 0.6152 0.220 Uiso 1 1 calc R U . . .
H112 H 0.6457 0.9319 0.6707 0.220 Uiso 1 1 calc R U . . .
C114 C 0.5815(6) 0.9615(4) 0.5386(4) 0.090(3) Uani 1 1 d . U . . .
H113 H 0.6089 0.9822 0.5099 0.135 Uiso 1 1 calc R U . . .
H114 H 0.5607 0.9165 0.5162 0.135 Uiso 1 1 calc R U . . .
H115 H 0.5349 0.9868 0.5561 0.135 Uiso 1 1 calc R U . . .
C115 C 0.9339(6) 0.8919(4) 0.6347(4) 0.073(2) Uani 1 1 d . U . . .
C116 C 0.9631(7) 0.9590(5) 0.6662(7) 0.124(5) Uani 1 1 d . U . . .
H116 H 0.9155 0.9862 0.6746 0.186 Uiso 1 1 calc R U . . .
H117 H 0.9930 0.9605 0.7054 0.186 Uiso 1 1 calc R U . . .
H118 H 1.0005 0.9757 0.6398 0.186 Uiso 1 1 calc R U . . .
C117 C 0.8919(8) 0.8655(6) 0.6925(5) 0.103(3) Uani 1 1 d . U . . .
H119 H 0.8698 0.8196 0.6760 0.155 Uiso 1 1 calc R U . . .
H120 H 0.9347 0.8686 0.7255 0.155 Uiso 1 1 calc R U . . .
H121 H 0.8468 0.8929 0.7095 0.155 Uiso 1 1 calc R U . . .
C118 C 0.9901(7) 0.8386(6) 0.6154(6) 0.125(5) Uani 1 1 d . U . . .
H122 H 0.9575 0.7973 0.5951 0.187 Uiso 1 1 calc R U . . .
H123 H 1.0289 0.8491 0.5864 0.187 Uiso 1 1 calc R U . . .
H124 H 1.0214 0.8339 0.6520 0.187 Uiso 1 1 calc R U . . .
C119 C 0.8415(3) 0.5139(3) 0.3674(2) 0.0314(12) Uani 1 1 d . U . . .
C120 C 0.7818(3) 0.4888(3) 0.4002(2) 0.0327(12) Uani 1 1 d . U . . .
H32 H 0.7283 0.5054 0.4038 0.039 Uiso 1 1 calc R U . . .
C121 C 0.8007(3) 0.4394(3) 0.4276(2) 0.0328(12) Uani 1 1 d . U . . .
C122 C 0.8789(3) 0.4154(3) 0.4209(2) 0.0351(12) Uani 1 1 d . U . . .
H33 H 0.8922 0.3820 0.4397 0.042 Uiso 1 1 calc R U . . .
C123 C 0.9389(3) 0.4389(3) 0.3872(2) 0.0335(12) Uani 1 1 d . U . . .
C124 C 0.9185(3) 0.4885(3) 0.3612(2) 0.0337(12) Uani 1 1 d . U . . .
H34 H 0.9585 0.5054 0.3385 0.040 Uiso 1 1 calc R U . . .
C125 C 0.7353(3) 0.4151(3) 0.4661(3) 0.0363(13) Uani 1 1 d . U . . .
C126 C 0.7150(4) 0.4734(4) 0.5194(3) 0.0488(17) Uani 1 1 d . U . . .
H125 H 0.6950 0.5081 0.5027 0.073 Uiso 1 1 calc R U . . .
H126 H 0.6718 0.4592 0.5435 0.073 Uiso 1 1 calc R U . . .
H127 H 0.7651 0.4904 0.5465 0.073 Uiso 1 1 calc R U . . .
C127 C 0.6559(4) 0.3884(3) 0.4257(3) 0.0440(15) Uani 1 1 d . U . . .
H128 H 0.6359 0.4224 0.4080 0.066 Uiso 1 1 calc R U . . .
H129 H 0.6675 0.3498 0.3921 0.066 Uiso 1 1 calc R U . . .
H130 H 0.6133 0.3758 0.4511 0.066 Uiso 1 1 calc R U . . .
C128 C 0.7660(4) 0.3624(4) 0.4934(3) 0.0524(18) Uani 1 1 d . U . . .
H131 H 0.7794 0.3244 0.4598 0.079 Uiso 1 1 calc R U . . .
H132 H 0.8159 0.3799 0.5205 0.079 Uiso 1 1 calc R U . . .
H133 H 0.7226 0.3487 0.5175 0.079 Uiso 1 1 calc R U . . .
C129 C 1.0243(3) 0.4100(3) 0.3819(3) 0.0388(13) Uani 1 1 d . U . . .
C130 C 1.0134(5) 0.3337(4) 0.3513(4) 0.068(2) Uani 1 1 d . U . . .
H134 H 0.9759 0.3137 0.3754 0.102 Uiso 1 1 calc R U . . .
H135 H 0.9899 0.3247 0.3087 0.102 Uiso 1 1 calc R U . . .
H136 H 1.0676 0.3152 0.3509 0.102 Uiso 1 1 calc R U . . .
C131 C 1.0646(4) 0.4210(4) 0.4467(3) 0.0553(19) Uani 1 1 d . U . . .
H137 H 1.0276 0.4014 0.4714 0.083 Uiso 1 1 calc R U . . .
H138 H 1.1176 0.4004 0.4437 0.083 Uiso 1 1 calc R U . . .
H139 H 1.0744 0.4683 0.4667 0.083 Uiso 1 1 calc R U . . .
C132 C 1.0822(4) 0.4406(4) 0.3445(4) 0.061(2) Uani 1 1 d . U . . .
H140 H 1.0570 0.4338 0.3027 0.092 Uiso 1 1 calc R U . . .
H141 H 1.0920 0.4878 0.3649 0.092 Uiso 1 1 calc R U . . .
H142 H 1.1352 0.4199 0.3419 0.092 Uiso 1 1 calc R U . . .
C133 C 0.5861(4) 0.8473(4) 0.3029(3) 0.0571(19) Uani 1 1 d . U . . .
C134 C 0.5889(4) 0.7846(3) 0.2603(3) 0.0512(17) Uani 1 1 d . U . . .
H155 H 0.5647 0.7467 0.2694 0.061 Uiso 1 1 calc R U . . .
C135 C 0.6269(4) 0.7791(3) 0.2056(3) 0.0451(15) Uani 1 1 d . U . . .
H156 H 0.6291 0.7372 0.1765 0.054 Uiso 1 1 calc R U . . .
C136 C 0.6612(4) 0.8337(4) 0.1931(3) 0.0523(16) Uani 1 1 d . U . . .
H157 H 0.6875 0.8302 0.1553 0.063 Uiso 1 1 calc R U . . .
C137 C 0.6578(5) 0.8928(4) 0.2349(5) 0.071(2) Uani 1 1 d . U . . .
H158 H 0.6825 0.9308 0.2261 0.085 Uiso 1 1 calc R U . . .
C138 C 0.6211(4) 0.8996(4) 0.2879(4) 0.069(2) Uani 1 1 d . U . . .
C139 C 0.5555(5) 0.6369(4) 0.3951(3) 0.063(2) Uani 1 1 d . U . . .
C140 C 0.5874(5) 0.6623(4) 0.3496(3) 0.0571(18) Uani 1 1 d . U . . .
H159 H 0.5924 0.7085 0.3556 0.068 Uiso 1 1 calc R U . . .
C141 C 0.6117(4) 0.6208(3) 0.2958(3) 0.0450(15) Uani 1 1 d . U . . .
H160 H 0.6333 0.6383 0.2645 0.054 Uiso 1 1 calc R U . . .
C142 C 0.6051(3) 0.5541(3) 0.2869(3) 0.0409(14) Uani 1 1 d . U . . .
H161 H 0.6219 0.5254 0.2495 0.049 Uiso 1 1 calc R U . . .
C143 C 0.5736(3) 0.5287(3) 0.3330(3) 0.0399(13) Uani 1 1 d . U . . .
H162 H 0.5693 0.4826 0.3274 0.048 Uiso 1 1 calc R U . . .
C144 C 0.5484(4) 0.5709(4) 0.3869(3) 0.0482(16) Uani 1 1 d . U . . .
C151 C 0.9855(7) 0.2776(5) 0.1094(4) 0.081(2) Uani 1 1 d . U . . .
C152 C 0.9931(5) 0.3012(4) 0.0581(4) 0.067(2) Uani 1 1 d . U . . .
C153 C 1.0135(5) 0.2611(5) 0.0031(4) 0.071(2) Uani 1 1 d . U . . .
H167 H 1.0203 0.2768 -0.0322 0.085 Uiso 1 1 calc R U . . .
C154 C 1.0249(5) 0.1908(5) 0.0006(4) 0.073(2) Uani 1 1 d . U . . .
H168 H 1.0371 0.1621 -0.0383 0.088 Uiso 1 1 calc R U . . .
C155 C 1.0199(6) 0.1685(5) 0.0424(6) 0.092(3) Uani 1 1 d . U . . .
H169 H 1.0280 0.1234 0.0375 0.110 Uiso 1 1 calc R U . . .
C156 C 0.9995(8) 0.2151(6) 0.1072(6) 0.108(3) Uani 1 1 d . U . . .
H170 H 0.9971 0.1999 0.1431 0.129 Uiso 1 1 calc R U . . .
C157 C 1.0458(3) 0.6110(3) 0.1685(2) 0.0302(11) Uani 1 1 d . U . . .
C158 C 1.1287(3) 0.6194(3) 0.1872(2) 0.0274(11) Uani 1 1 d . U . . .
C159 C 1.1638(4) 0.5747(3) 0.2135(2) 0.0346(12) Uani 1 1 d . U . . .
H171 H 1.2210 0.5813 0.2270 0.042 Uiso 1 1 calc R U . . .
C160 C 1.1193(4) 0.5226(3) 0.2204(3) 0.0430(14) Uani 1 1 d . U . . .
H172 H 1.1445 0.4916 0.2373 0.052 Uiso 1 1 calc R U . . .
C161 C 1.0326(4) 0.5145(3) 0.2019(3) 0.0455(15) Uani 1 1 d . U . . .
H173 H 1.0002 0.4779 0.2074 0.055 Uiso 1 1 calc R U . . .
C162 C 0.9950(4) 0.5582(3) 0.1764(3) 0.0409(13) Uani 1 1 d . U . . .
H174 H 0.9373 0.5530 0.1646 0.049 Uiso 1 1 calc R U . . .
N1 N 0.4909(2) 0.53042(19) 0.16055(18) 0.0202(8) Uani 1 1 d . U . . .
N2 N 0.3898(2) 0.58417(19) 0.25229(18) 0.0221(8) Uani 1 1 d . U . . .
N3 N 0.4034(2) 0.69972(19) 0.21970(18) 0.0211(8) Uani 1 1 d . U . . .
N4 N 0.4975(2) 0.64227(18) 0.12450(18) 0.0199(8) Uani 1 1 d . U . . .
N5 N 0.8129(2) 0.70472(18) 0.19699(18) 0.0209(8) Uani 1 1 d . U . . .
N6 N 0.8260(3) 0.7901(2) 0.3131(2) 0.0321(10) Uani 1 1 d . U . . .
N7 N 0.8019(3) 0.6865(2) 0.3617(2) 0.0321(10) Uani 1 1 d . U . . .
N8 N 0.7999(2) 0.60279(19) 0.24531(18) 0.0213(8) Uani 1 1 d . U . . .
Ni1 Ni 0.44537(5) 0.61414(4) 0.18941(3) 0.01877(17) Uani 1 1 d . U . . .
Ni2 Ni 0.81016(5) 0.69627(4) 0.27937(4) 0.02334(18) Uani 1 1 d . U . . .
Pt1 Pt 0.70824(2) 0.53484(2) 0.05281(2) 0.01758(8) Uani 1 1 d . U . . .
Cl1 Cl 0.61921(19) 0.97736(15) 0.3393(2) 0.170(2) Uani 1 1 d . U . . .
Cl2 Cl 0.53869(14) 0.85298(19) 0.37190(10) 0.1103(11) Uani 1 1 d . U . . .
Cl3 Cl 0.5260(3) 0.69084(17) 0.46202(10) 0.1561(19) Uani 1 1 d . U . . .
Cl4 Cl 0.50838(15) 0.53665(15) 0.44253(11) 0.0956(9) Uani 1 1 d . U . . .
Cl7 Cl 0.9552(3) 0.33039(18) 0.17833(16) 0.1627(19) Uani 1 1 d . U . . .
Cl8 Cl 0.98131(16) 0.38174(13) 0.06183(14) 0.0919(7) Uani 1 1 d . U . . .
Cl9 Cl 1.00125(9) 0.66720(8) 0.13575(8) 0.0489(4) Uani 1 1 d . U . . .
Cl10 Cl 1.19037(9) 0.68782(7) 0.18175(6) 0.0385(3) Uani 1 1 d . U . . .
Cl5 Cl 0.6404(4) 0.14417(17) 0.25977(17) 0.0921(15) Uani 0.663(5) 1 d . U P A 1
C145 C 0.7348(5) 0.2605(4) 0.2730(4) 0.053(3) Uani 0.663(5) 1 d G U P A 1
C146 C 0.7415(5) 0.3263(3) 0.2738(4) 0.047(2) Uani 0.663(5) 1 d G U P A 1
H175 H 0.7942 0.3503 0.2819 0.056 Uiso 0.663(5) 1 calc R U P A 1
C147 C 0.6712(6) 0.3571(3) 0.2628(5) 0.046(3) Uani 0.663(5) 1 d G U P A 1
H176 H 0.6758 0.4020 0.2634 0.055 Uiso 0.663(5) 1 calc R U P A 1
C148 C 0.5940(5) 0.3220(4) 0.2510(4) 0.062(3) Uani 0.663(5) 1 d G U P A 1
H177 H 0.5459 0.3430 0.2435 0.074 Uiso 0.663(5) 1 calc R U P A 1
C149 C 0.5873(5) 0.2561(4) 0.2501(4) 0.061(3) Uani 0.663(5) 1 d G U P A 1
H178 H 0.5346 0.2321 0.2421 0.073 Uiso 0.663(5) 1 calc R U P A 1
C150 C 0.6577(6) 0.2254(3) 0.2611(4) 0.059(3) Uani 0.663(5) 1 d G U P A 1
Cl6 Cl 0.8186(2) 0.22084(17) 0.28545(18) 0.0795(11) Uani 0.663(5) 1 d . U P A 1
Cl11 Cl 0.5327(4) 0.1883(3) 0.2330(3) 0.072(2) Uani 0.337(5) 1 d . U P A 2
C163 C 0.7591(12) 0.3377(8) 0.2667(11) 0.073(5) Uani 0.337(5) 1 d G U P A 2
H179 H 0.8030 0.3707 0.2714 0.088 Uiso 0.337(5) 1 calc R U P A 2
C164 C 0.7753(10) 0.2770(9) 0.2750(8) 0.057(4) Uani 0.337(5) 1 d G U P A 2
H180 H 0.8303 0.2685 0.2853 0.068 Uiso 0.337(5) 1 calc R U P A 2
C165 C 0.7109(13) 0.2286(7) 0.2681(9) 0.063(5) Uani 0.337(5) 1 d G U P A 2
C166 C 0.6303(11) 0.2410(8) 0.2530(10) 0.070(5) Uani 0.337(5) 1 d G U P A 2
C167 C 0.6141(10) 0.3017(9) 0.2447(10) 0.062(4) Uani 0.337(5) 1 d G U P A 2
H181 H 0.5590 0.3101 0.2344 0.074 Uiso 0.337(5) 1 calc R U P A 2
C168 C 0.6785(13) 0.3500(7) 0.2516(11) 0.050(4) Uani 0.337(5) 1 d G U P A 2
H182 H 0.6674 0.3915 0.2459 0.060 Uiso 0.337(5) 1 calc R U P A 2
Cl12 Cl 0.7115(6) 0.1432(3) 0.2594(3) 0.080(2) Uani 0.337(5) 1 d . U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C20 1.398(6) . ?
C1 N1 1.402(6) . ?
C1 C2 1.420(7) . ?
C2 C3 1.355(6) . ?
C2 H1 0.9500 . ?
C3 C4 1.426(7) . ?
C3 H2 0.9500 . ?
C4 N1 1.386(6) . ?
C4 C5 1.393(6) . ?
C5 C6 1.394(7) . ?
C5 C21 1.492(6) . ?
C6 N2 1.386(6) . ?
C6 C7 1.438(6) . ?
C7 C8 1.341(8) . ?
C7 H3 0.9500 . ?
C8 C9 1.435(6) . ?
C8 H4 0.9500 . ?
C9 C10 1.376(7) . ?
C9 N2 1.389(6) . ?
C10 C11 1.389(6) . ?
C10 C35 1.502(7) . ?
C11 N3 1.379(6) . ?
C11 C12 1.430(7) . ?
C12 C13 1.350(7) . ?
C12 H5 0.9500 . ?
C13 C14 1.430(7) . ?
C13 H6 0.9500 . ?
C14 C15 1.385(6) . ?
C14 N3 1.390(6) . ?
C15 C16 1.397(7) . ?
C15 C49 1.503(6) . ?
C16 N4 1.381(6) . ?
C16 C17 1.420(6) . ?
C17 C18 1.357(7) . ?
C17 H7 0.9500 . ?
C18 C19 1.441(6) . ?
C18 H8 0.9500 . ?
C19 N4 1.382(6) . ?
C19 C20 1.392(6) . ?
C20 Pt1 2.043(5) . ?
C21 C22 1.394(7) . ?
C21 C25 1.399(8) . ?
C22 C23 1.404(7) . ?
C22 H17 0.9500 . ?
C23 C24 1.371(9) . ?
C23 C27 1.550(7) . ?
C24 C26 1.390(8) . ?
C24 H18 0.9500 . ?
C25 C26 1.401(7) . ?
C25 H19 0.9500 . ?
C26 C31 1.524(9) . ?
C27 C29 1.486(11) . ?
C27 C28 1.492(11) . ?
C27 C30 1.530(11) . ?
C28 H35 0.9800 . ?
C28 H36 0.9800 . ?
C28 H37 0.9800 . ?
C29 H38 0.9800 . ?
C29 H39 0.9800 . ?
C29 H40 0.9800 . ?
C30 H41 0.9800 . ?
C30 H42 0.9800 . ?
C30 H43 0.9800 . ?
C31 C34 1.520(10) . ?
C31 C33 1.523(9) . ?
C31 C32 1.565(11) . ?
C32 H44 0.9800 . ?
C32 H45 0.9800 . ?
C32 H46 0.9800 . ?
C33 H47 0.9800 . ?
C33 H48 0.9800 . ?
C33 H49 0.9800 . ?
C34 H50 0.9800 . ?
C34 H51 0.9800 . ?
C34 H52 0.9800 . ?
C35 C36 1.388(8) . ?
C35 C40 1.393(8) . ?
C36 C37 1.414(8) . ?
C36 H20 0.9500 . ?
C37 C38 1.378(10) . ?
C37 C41 1.519(10) . ?
C38 C39 1.392(9) . ?
C38 H21 0.9500 . ?
C39 C40 1.382(7) . ?
C39 C45 1.536(9) . ?
C40 H22 0.9500 . ?
C41 C43 1.506(18) . ?
C41 C42 1.509(12) . ?
C41 C44 1.548(13) . ?
C42 H53 0.9800 . ?
C42 H54 0.9800 . ?
C42 H55 0.9800 . ?
C43 H56 0.9800 . ?
C43 H57 0.9800 . ?
C43 H58 0.9800 . ?
C44 H59 0.9800 . ?
C44 H60 0.9800 . ?
C44 H61 0.9800 . ?
C45 C48 1.488(11) . ?
C45 C46 1.505(11) . ?
C45 C47 1.549(12) . ?
C46 H62 0.9800 . ?
C46 H63 0.9800 . ?
C46 H64 0.9800 . ?
C47 H65 0.9800 . ?
C47 H66 0.9800 . ?
C47 H67 0.9800 . ?
C48 H68 0.9800 . ?
C48 H69 0.9800 . ?
C48 H70 0.9800 . ?
C49 C54 1.381(7) . ?
C49 C50 1.392(7) . ?
C50 C51 1.388(7) . ?
C50 H23 0.9500 . ?
C51 C52 1.382(8) . ?
C51 C55 1.535(8) . ?
C52 C53 1.399(8) . ?
C52 H24 0.9500 . ?
C53 C54 1.400(7) . ?
C53 C59 1.537(8) . ?
C54 H25 0.9500 . ?
C55 C57 1.425(14) . ?
C55 C56 1.437(12) . ?
C55 C58 1.456(11) . ?
C56 H71 0.9800 . ?
C56 H72 0.9800 . ?
C56 H73 0.9800 . ?
C57 H74 0.9800 . ?
C57 H75 0.9800 . ?
C57 H76 0.9800 . ?
C58 H77 0.9800 . ?
C58 H78 0.9800 . ?
C58 H79 0.9800 . ?
C59 C60 1.521(9) . ?
C59 C62 1.529(10) . ?
C59 C61 1.531(10) . ?
C60 H80 0.9800 . ?
C60 H81 0.9800 . ?
C60 H82 0.9800 . ?
C61 H83 0.9800 . ?
C61 H84 0.9800 . ?
C61 H85 0.9800 . ?
C62 H86 0.9800 . ?
C62 H87 0.9800 . ?
C62 H88 0.9800 . ?
C63 C64 1.364(7) . ?
C63 C70 1.488(8) . ?
C63 Pt1 2.260(5) . ?
C63 H143 0.9500 . ?
C64 C65 1.514(7) . ?
C64 Pt1 2.270(5) . ?
C64 H144 0.9500 . ?
C65 C66 1.513(8) . ?
C65 H145 0.9900 . ?
C65 H146 0.9900 . ?
C66 C67 1.505(7) . ?
C66 H147 0.9900 . ?
C66 H148 0.9900 . ?
C67 C68 1.373(7) . ?
C67 Pt1 2.270(5) . ?
C67 H149 0.9500 . ?
C68 C69 1.507(8) . ?
C68 Pt1 2.275(5) . ?
C68 H150 0.9500 . ?
C69 C70 1.515(8) . ?
C69 H151 0.9900 . ?
C69 H152 0.9900 . ?
C70 H153 0.9900 . ?
C70 H154 0.9900 . ?
C71 N5 1.380(6) . ?
C71 C90 1.396(6) . ?
C71 C72 1.433(6) . ?
C72 C73 1.361(7) . ?
C72 H9 0.9500 . ?
C73 C74 1.423(7) . ?
C73 H10 0.9500 . ?
C74 N5 1.383(6) . ?
C74 C75 1.392(7) . ?
C75 C76 1.373(8) . ?
C75 C91 1.504(7) . ?
C76 N6 1.384(7) . ?
C76 C77 1.434(8) . ?
C77 C78 1.345(10) . ?
C77 H11 0.9500 . ?
C78 C79 1.442(9) . ?
C78 H12 0.9500 . ?
C79 N6 1.366(7) . ?
C79 C80 1.407(9) . ?
C80 C81 1.361(9) . ?
C80 C105 1.501(9) . ?
C81 N7 1.379(7) . ?
C81 C82 1.445(9) . ?
C82 C83 1.324(10) . ?
C82 H13 0.9500 . ?
C83 C84 1.440(7) . ?
C83 H14 0.9500 . ?
C84 C85 1.374(8) . ?
C84 N7 1.388(7) . ?
C85 C86 1.395(7) . ?
C85 C119 1.494(7) . ?
C86 N8 1.383(6) . ?
C86 C87 1.424(7) . ?
C87 C88 1.359(7) . ?
C87 H15 0.9500 . ?
C88 C89 1.434(6) . ?
C88 H16 0.9500 . ?
C89 N8 1.375(6) . ?
C89 C90 1.395(6) . ?
C90 Pt1 2.050(5) . ?
C91 C96 1.380(8) . ?
C91 C92 1.390(8) . ?
C92 C93 1.398(8) . ?
C92 H26 0.9500 . ?
C93 C94 1.401(8) . ?
C93 C97 1.532(8) . ?
C94 C95 1.377(8) . ?
C94 H27 0.9500 . ?
C95 C96 1.397(7) . ?
C95 C101 1.534(8) . ?
C96 H28 0.9500 . ?
C97 C100 1.375(14) . ?
C97 C99 1.448(13) . ?
C97 C98 1.675(16) . ?
C98 H89 0.9800 . ?
C98 H90 0.9800 . ?
C98 H91 0.9800 . ?
C99 H92 0.9800 . ?
C99 H93 0.9800 . ?
C99 H94 0.9800 . ?
C100 H95 0.9800 . ?
C100 H96 0.9800 . ?
C100 H97 0.9800 . ?
C101 C102 1.523(9) . ?
C101 C103 1.537(10) . ?
C101 C104 1.545(8) . ?
C102 H98 0.9800 . ?
C102 H99 0.9800 . ?
C102 H100 0.9800 . ?
C103 H101 0.9800 . ?
C103 H102 0.9800 . ?
C103 H103 0.9800 . ?
C104 H104 0.9800 . ?
C104 H105 0.9800 . ?
C104 H106 0.9800 . ?
C105 C106 1.391(9) . ?
C105 C110 1.426(10) . ?
C106 C107 1.399(9) . ?
C106 H29 0.9500 . ?
C107 C108 1.444(11) . ?
C107 C111 1.538(11) . ?
C108 C109 1.416(10) . ?
C108 H30 0.9500 . ?
C109 C110 1.375(10) . ?
C109 C115 1.513(11) . ?
C110 H31 0.9500 . ?
C111 C113 1.477(17) . ?
C111 C114 1.539(10) . ?
C111 C112 1.574(17) . ?
C112 H107 0.9800 . ?
C112 H108 0.9800 . ?
C112 H109 0.9800 . ?
C113 H110 0.9800 . ?
C113 H111 0.9800 . ?
C113 H112 0.9800 . ?
C114 H113 0.9800 . ?
C114 H114 0.9800 . ?
C114 H115 0.9800 . ?
C115 C116 1.445(13) . ?
C115 C118 1.473(13) . ?
C115 C117 1.697(14) . ?
C116 H116 0.9800 . ?
C116 H117 0.9800 . ?
C116 H118 0.9800 . ?
C117 H119 0.9800 . ?
C117 H120 0.9800 . ?
C117 H121 0.9800 . ?
C118 H122 0.9800 . ?
C118 H123 0.9800 . ?
C118 H124 0.9800 . ?
C119 C124 1.380(8) . ?
C119 C120 1.403(7) . ?
C120 C121 1.396(7) . ?
C120 H32 0.9500 . ?
C121 C122 1.387(8) . ?
C121 C125 1.542(7) . ?
C122 C123 1.404(7) . ?
C122 H33 0.9500 . ?
C123 C124 1.386(8) . ?
C123 C129 1.537(8) . ?
C124 H34 0.9500 . ?
C125 C128 1.515(8) . ?
C125 C126 1.527(9) . ?
C125 C127 1.527(8) . ?
C126 H125 0.9800 . ?
C126 H126 0.9800 . ?
C126 H127 0.9800 . ?
C127 H128 0.9800 . ?
C127 H129 0.9800 . ?
C127 H130 0.9800 . ?
C128 H131 0.9800 . ?
C128 H132 0.9800 . ?
C128 H133 0.9800 . ?
C129 C132 1.512(8) . ?
C129 C131 1.522(8) . ?
C129 C130 1.570(10) . ?
C130 H134 0.9800 . ?
C130 H135 0.9800 . ?
C130 H136 0.9800 . ?
C131 H137 0.9800 . ?
C131 H138 0.9800 . ?
C131 H139 0.9800 . ?
C132 H140 0.9800 . ?
C132 H141 0.9800 . ?
C132 H142 0.9800 . ?
C133 C138 1.346(12) . ?
C133 C134 1.411(11) . ?
C133 Cl2 1.731(7) . ?
C134 C135 1.372(10) . ?
C134 H155 0.9500 . ?
C135 C136 1.358(9) . ?
C135 H156 0.9500 . ?
C136 C137 1.349(11) . ?
C136 H157 0.9500 . ?
C137 C138 1.324(12) . ?
C137 H158 0.9500 . ?
C138 Cl1 1.735(7) . ?
C139 C144 1.359(11) . ?
C139 C140 1.384(10) . ?
C139 Cl3 1.719(7) . ?
C140 C141 1.369(10) . ?
C140 H159 0.9500 . ?
C141 C142 1.370(9) . ?
C141 H160 0.9500 . ?
C142 C143 1.391(8) . ?
C142 H161 0.9500 . ?
C143 C144 1.381(9) . ?
C143 H162 0.9500 . ?
C144 Cl4 1.735(6) . ?
C151 C156 1.345(15) . ?
C151 C152 1.385(12) . ?
C151 Cl7 1.747(10) . ?
C152 C153 1.354(12) . ?
C152 Cl8 1.710(9) . ?
C153 C154 1.500(13) . ?
C153 H167 0.9500 . ?
C154 C155 1.165(13) . ?
C154 H168 0.9500 . ?
C155 C156 1.574(17) . ?
C155 H169 0.9500 . ?
C156 H170 0.9500 . ?
C157 C158 1.373(8) . ?
C157 C162 1.403(8) . ?
C157 Cl9 1.741(5) . ?
C158 C159 1.388(8) . ?
C158 Cl10 1.746(5) . ?
C159 C160 1.330(8) . ?
C159 H171 0.9500 . ?
C160 C161 1.431(10) . ?
C160 H172 0.9500 . ?
C161 C162 1.376(9) . ?
C161 H173 0.9500 . ?
C162 H174 0.9500 . ?
N1 Ni1 1.915(4) . ?
N2 Ni1 1.930(4) . ?
N3 Ni1 1.927(4) . ?
N4 Ni1 1.924(4) . ?
N5 Ni2 1.908(4) . ?
N6 Ni2 1.922(4) . ?
N7 Ni2 1.926(4) . ?
N8 Ni2 1.913(4) . ?
Cl5 C150 1.722(6) . ?
C145 C146 1.3900 . ?
C145 C150 1.3900 . ?
C145 Cl6 1.689(7) . ?
C146 C147 1.3900 . ?
C146 H175 0.9500 . ?
C147 C148 1.3900 . ?
C147 H176 0.9500 . ?
C148 C149 1.3900 . ?
C148 H177 0.9500 . ?
C149 C150 1.3900 . ?
C149 H178 0.9500 . ?
Cl11 C166 1.842(16) . ?
C163 C164 1.3900 . ?
C163 C168 1.3900 . ?
C163 H179 0.9500 . ?
C164 C165 1.3900 . ?
C164 H180 0.9500 . ?
C165 C166 1.3900 . ?
C165 Cl12 1.770(14) . ?
C166 C167 1.3900 . ?
C167 C168 1.3900 . ?
C167 H181 0.9500 . ?
C168 H182 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
C20 C1 N1 125.3(4) . . ?
C20 C1 C2 124.5(4) . . ?
N1 C1 C2 109.8(4) . . ?
C3 C2 C1 107.5(4) . . ?
C3 C2 H1 126.2 . . ?
C1 C2 H1 126.2 . . ?
C2 C3 C4 107.4(4) . . ?
C2 C3 H2 126.3 . . ?
C4 C3 H2 126.3 . . ?
N1 C4 C5 125.4(4) . . ?
N1 C4 C3 110.1(4) . . ?
C5 C4 C3 124.0(4) . . ?
C4 C5 C6 121.1(4) . . ?
C4 C5 C21 118.9(4) . . ?
C6 C5 C21 119.8(4) . . ?
N2 C6 C5 124.8(4) . . ?
N2 C6 C7 109.7(4) . . ?
C5 C6 C7 125.3(4) . . ?
C8 C7 C6 107.3(4) . . ?
C8 C7 H3 126.3 . . ?
C6 C7 H3 126.3 . . ?
C7 C8 C9 107.8(4) . . ?
C7 C8 H4 126.1 . . ?
C9 C8 H4 126.1 . . ?
C10 C9 N2 126.1(4) . . ?
C10 C9 C8 123.8(4) . . ?
N2 C9 C8 109.5(4) . . ?
C9 C10 C11 122.1(4) . . ?
C9 C10 C35 118.7(4) . . ?
C11 C10 C35 118.0(4) . . ?
N3 C11 C10 125.2(4) . . ?
N3 C11 C12 110.8(4) . . ?
C10 C11 C12 123.2(5) . . ?
C13 C12 C11 107.0(4) . . ?
C13 C12 H5 126.5 . . ?
C11 C12 H5 126.5 . . ?
C12 C13 C14 107.1(4) . . ?
C12 C13 H6 126.4 . . ?
C14 C13 H6 126.4 . . ?
C15 C14 N3 124.6(4) . . ?
C15 C14 C13 125.0(4) . . ?
N3 C14 C13 110.4(4) . . ?
C14 C15 C16 122.0(4) . . ?
C14 C15 C49 119.8(4) . . ?
C16 C15 C49 118.1(4) . . ?
N4 C16 C15 124.7(4) . . ?
N4 C16 C17 111.1(4) . . ?
C15 C16 C17 123.4(4) . . ?
C18 C17 C16 106.8(4) . . ?
C18 C17 H7 126.6 . . ?
C16 C17 H7 126.6 . . ?
C17 C18 C19 107.2(4) . . ?
C17 C18 H8 126.4 . . ?
C19 C18 H8 126.4 . . ?
N4 C19 C20 126.2(4) . . ?
N4 C19 C18 109.7(4) . . ?
C20 C19 C18 124.0(4) . . ?
C19 C20 C1 119.7(4) . . ?
C19 C20 Pt1 120.1(3) . . ?
C1 C20 Pt1 120.2(3) . . ?
C22 C21 C25 118.9(4) . . ?
C22 C21 C5 122.0(5) . . ?
C25 C21 C5 119.1(4) . . ?
C21 C22 C23 120.8(5) . . ?
C21 C22 H17 119.6 . . ?
C23 C22 H17 119.6 . . ?
C24 C23 C22 118.0(5) . . ?
C24 C23 C27 123.4(5) . . ?
C22 C23 C27 118.5(5) . . ?
C23 C24 C26 123.7(5) . . ?
C23 C24 H18 118.1 . . ?
C26 C24 H18 118.1 . . ?
C21 C25 C26 121.4(5) . . ?
C21 C25 H19 119.3 . . ?
C26 C25 H19 119.3 . . ?
C24 C26 C25 117.0(5) . . ?
C24 C26 C31 123.2(5) . . ?
C25 C26 C31 119.7(5) . . ?
C29 C27 C28 111.9(9) . . ?
C29 C27 C30 107.1(8) . . ?
C28 C27 C30 108.3(8) . . ?
C29 C27 C23 109.8(5) . . ?
C28 C27 C23 108.6(5) . . ?
C30 C27 C23 111.1(6) . . ?
C27 C28 H35 109.5 . . ?
C27 C28 H36 109.5 . . ?
H35 C28 H36 109.5 . . ?
C27 C28 H37 109.5 . . ?
H35 C28 H37 109.5 . . ?
H36 C28 H37 109.5 . . ?
C27 C29 H38 109.5 . . ?
C27 C29 H39 109.5 . . ?
H38 C29 H39 109.5 . . ?
C27 C29 H40 109.5 . . ?
H38 C29 H40 109.5 . . ?
H39 C29 H40 109.5 . . ?
C27 C30 H41 109.5 . . ?
C27 C30 H42 109.5 . . ?
H41 C30 H42 109.5 . . ?
C27 C30 H43 109.5 . . ?
H41 C30 H43 109.5 . . ?
H42 C30 H43 109.5 . . ?
C34 C31 C33 110.3(6) . . ?
C34 C31 C26 110.7(6) . . ?
C33 C31 C26 112.4(6) . . ?
C34 C31 C32 108.7(7) . . ?
C33 C31 C32 107.6(6) . . ?
C26 C31 C32 106.9(5) . . ?
C31 C32 H44 109.5 . . ?
C31 C32 H45 109.5 . . ?
H44 C32 H45 109.5 . . ?
C31 C32 H46 109.5 . . ?
H44 C32 H46 109.5 . . ?
H45 C32 H46 109.5 . . ?
C31 C33 H47 109.5 . . ?
C31 C33 H48 109.5 . . ?
H47 C33 H48 109.5 . . ?
C31 C33 H49 109.5 . . ?
H47 C33 H49 109.5 . . ?
H48 C33 H49 109.5 . . ?
C31 C34 H50 109.5 . . ?
C31 C34 H51 109.5 . . ?
H50 C34 H51 109.5 . . ?
C31 C34 H52 109.5 . . ?
H50 C34 H52 109.5 . . ?
H51 C34 H52 109.5 . . ?
C36 C35 C40 119.5(5) . . ?
C36 C35 C10 122.9(5) . . ?
C40 C35 C10 117.5(5) . . ?
C35 C36 C37 120.2(6) . . ?
C35 C36 H20 119.9 . . ?
C37 C36 H20 119.9 . . ?
C38 C37 C36 118.1(5) . . ?
C38 C37 C41 123.4(6) . . ?
C36 C37 C41 118.4(7) . . ?
C37 C38 C39 122.7(5) . . ?
C37 C38 H21 118.7 . . ?
C39 C38 H21 118.7 . . ?
C40 C39 C38 118.0(6) . . ?
C40 C39 C45 122.1(5) . . ?
C38 C39 C45 119.8(5) . . ?
C39 C40 C35 121.4(5) . . ?
C39 C40 H22 119.3 . . ?
C35 C40 H22 119.3 . . ?
C43 C41 C42 111.8(13) . . ?
C43 C41 C37 112.0(8) . . ?
C42 C41 C37 107.7(8) . . ?
C43 C41 C44 107.0(8) . . ?
C42 C41 C44 106.6(10) . . ?
C37 C41 C44 111.5(8) . . ?
C41 C42 H53 109.5 . . ?
C41 C42 H54 109.5 . . ?
H53 C42 H54 109.5 . . ?
C41 C42 H55 109.5 . . ?
H53 C42 H55 109.5 . . ?
H54 C42 H55 109.5 . . ?
C41 C43 H56 109.5 . . ?
C41 C43 H57 109.5 . . ?
H56 C43 H57 109.5 . . ?
C41 C43 H58 109.5 . . ?
H56 C43 H58 109.5 . . ?
H57 C43 H58 109.5 . . ?
C41 C44 H59 109.5 . . ?
C41 C44 H60 109.5 . . ?
H59 C44 H60 109.5 . . ?
C41 C44 H61 109.5 . . ?
H59 C44 H61 109.5 . . ?
H60 C44 H61 109.5 . . ?
C48 C45 C46 111.4(8) . . ?
C48 C45 C39 112.3(5) . . ?
C46 C45 C39 109.7(5) . . ?
C48 C45 C47 107.0(7) . . ?
C46 C45 C47 108.3(7) . . ?
C39 C45 C47 108.0(8) . . ?
C45 C46 H62 109.5 . . ?
C45 C46 H63 109.5 . . ?
H62 C46 H63 109.5 . . ?
C45 C46 H64 109.5 . . ?
H62 C46 H64 109.5 . . ?
H63 C46 H64 109.5 . . ?
C45 C47 H65 109.5 . . ?
C45 C47 H66 109.5 . . ?
H65 C47 H66 109.5 . . ?
C45 C47 H67 109.5 . . ?
H65 C47 H67 109.5 . . ?
H66 C47 H67 109.5 . . ?
C45 C48 H68 109.5 . . ?
C45 C48 H69 109.5 . . ?
H68 C48 H69 109.5 . . ?
C45 C48 H70 109.5 . . ?
H68 C48 H70 109.5 . . ?
H69 C48 H70 109.5 . . ?
C54 C49 C50 119.5(4) . . ?
C54 C49 C15 122.2(5) . . ?
C50 C49 C15 118.2(4) . . ?
C51 C50 C49 121.4(5) . . ?
C51 C50 H23 119.3 . . ?
C49 C50 H23 119.3 . . ?
C52 C51 C50 118.0(5) . . ?
C52 C51 C55 121.4(5) . . ?
C50 C51 C55 120.6(5) . . ?
C51 C52 C53 122.4(5) . . ?
C51 C52 H24 118.8 . . ?
C53 C52 H24 118.8 . . ?
C54 C53 C52 117.9(5) . . ?
C54 C53 C59 119.6(5) . . ?
C52 C53 C59 122.4(5) . . ?
C49 C54 C53 120.8(5) . . ?
C49 C54 H25 119.6 . . ?
C53 C54 H25 119.6 . . ?
C57 C55 C56 111.5(12) . . ?
C57 C55 C58 107.1(12) . . ?
C56 C55 C58 102.8(9) . . ?
C57 C55 C51 110.7(6) . . ?
C56 C55 C51 112.1(5) . . ?
C58 C55 C51 112.4(7) . . ?
C55 C56 H71 109.5 . . ?
C55 C56 H72 109.5 . . ?
H71 C56 H72 109.5 . . ?
C55 C56 H73 109.5 . . ?
H71 C56 H73 109.5 . . ?
H72 C56 H73 109.5 . . ?
C55 C57 H74 109.5 . . ?
C55 C57 H75 109.5 . . ?
H74 C57 H75 109.5 . . ?
C55 C57 H76 109.5 . . ?
H74 C57 H76 109.5 . . ?
H75 C57 H76 109.5 . . ?
C55 C58 H77 109.5 . . ?
C55 C58 H78 109.5 . . ?
H77 C58 H78 109.5 . . ?
C55 C58 H79 109.5 . . ?
H77 C58 H79 109.5 . . ?
H78 C58 H79 109.5 . . ?
C60 C59 C62 108.6(6) . . ?
C60 C59 C61 110.2(7) . . ?
C62 C59 C61 108.0(5) . . ?
C60 C59 C53 109.5(4) . . ?
C62 C59 C53 112.1(6) . . ?
C61 C59 C53 108.5(5) . . ?
C59 C60 H80 109.5 . . ?
C59 C60 H81 109.5 . . ?
H80 C60 H81 109.5 . . ?
C59 C60 H82 109.5 . . ?
H80 C60 H82 109.5 . . ?
H81 C60 H82 109.5 . . ?
C59 C61 H83 109.5 . . ?
C59 C61 H84 109.5 . . ?
H83 C61 H84 109.5 . . ?
C59 C61 H85 109.5 . . ?
H83 C61 H85 109.5 . . ?
H84 C61 H85 109.5 . . ?
C59 C62 H86 109.5 . . ?
C59 C62 H87 109.5 . . ?
H86 C62 H87 109.5 . . ?
C59 C62 H88 109.5 . . ?
H86 C62 H88 109.5 . . ?
H87 C62 H88 109.5 . . ?
C64 C63 C70 127.8(5) . . ?
C64 C63 Pt1 72.9(3) . . ?
C70 C63 Pt1 105.6(4) . . ?
C64 C63 H143 116.1 . . ?
C70 C63 H143 116.1 . . ?
Pt1 C63 H143 91.6 . . ?
C63 C64 C65 122.9(5) . . ?
C63 C64 Pt1 72.1(3) . . ?
C65 C64 Pt1 109.8(3) . . ?
C63 C64 H144 118.5 . . ?
C65 C64 H144 118.5 . . ?
Pt1 C64 H144 88.1 . . ?
C66 C65 C64 116.2(5) . . ?
C66 C65 H145 108.2 . . ?
C64 C65 H145 108.2 . . ?
C66 C65 H146 108.2 . . ?
C64 C65 H146 108.2 . . ?
H145 C65 H146 107.4 . . ?
C67 C66 C65 115.7(4) . . ?
C67 C66 H147 108.3 . . ?
C65 C66 H147 108.3 . . ?
C67 C66 H148 108.3 . . ?
C65 C66 H148 108.3 . . ?
H147 C66 H148 107.4 . . ?
C68 C67 C66 126.6(5) . . ?
C68 C67 Pt1 72.6(3) . . ?
C66 C67 Pt1 106.7(3) . . ?
C68 C67 H149 116.7 . . ?
C66 C67 H149 116.7 . . ?
Pt1 C67 H149 90.7 . . ?
C67 C68 C69 123.3(5) . . ?
C67 C68 Pt1 72.2(3) . . ?
C69 C68 Pt1 109.9(3) . . ?
C67 C68 H150 118.3 . . ?
C69 C68 H150 118.3 . . ?
Pt1 C68 H150 87.9 . . ?
C68 C69 C70 114.6(5) . . ?
C68 C69 H151 108.6 . . ?
C70 C69 H151 108.6 . . ?
C68 C69 H152 108.6 . . ?
C70 C69 H152 108.6 . . ?
H151 C69 H152 107.6 . . ?
C63 C70 C69 116.9(5) . . ?
C63 C70 H153 108.1 . . ?
C69 C70 H153 108.1 . . ?
C63 C70 H154 108.1 . . ?
C69 C70 H154 108.1 . . ?
H153 C70 H154 107.3 . . ?
N5 C71 C90 125.1(4) . . ?
N5 C71 C72 109.5(4) . . ?
C90 C71 C72 124.4(4) . . ?
C73 C72 C71 107.4(4) . . ?
C73 C72 H9 126.3 . . ?
C71 C72 H9 126.3 . . ?
C72 C73 C74 106.8(4) . . ?
C72 C73 H10 126.6 . . ?
C74 C73 H10 126.6 . . ?
N5 C74 C75 125.1(5) . . ?
N5 C74 C73 110.3(4) . . ?
C75 C74 C73 124.3(4) . . ?
C76 C75 C74 120.9(5) . . ?
C76 C75 C91 121.3(5) . . ?
C74 C75 C91 117.6(5) . . ?
C75 C76 N6 125.9(5) . . ?
C75 C76 C77 124.8(5) . . ?
N6 C76 C77 108.9(5) . . ?
C78 C77 C76 107.7(6) . . ?
C78 C77 H11 126.2 . . ?
C76 C77 H11 126.2 . . ?
C77 C78 C79 107.2(6) . . ?
C77 C78 H12 126.4 . . ?
C79 C78 H12 126.4 . . ?
N6 C79 C80 125.4(5) . . ?
N6 C79 C78 109.3(6) . . ?
C80 C79 C78 124.6(6) . . ?
C81 C80 C79 121.5(5) . . ?
C81 C80 C105 118.2(6) . . ?
C79 C80 C105 119.0(6) . . ?
C80 C81 N7 126.1(5) . . ?
C80 C81 C82 124.9(6) . . ?
N7 C81 C82 108.5(6) . . ?
C83 C82 C81 108.8(5) . . ?
C83 C82 H13 125.6 . . ?
C81 C82 H13 125.6 . . ?
C82 C83 C84 106.9(5) . . ?
C82 C83 H14 126.6 . . ?
C84 C83 H14 126.6 . . ?
C85 C84 N7 125.1(4) . . ?
C85 C84 C83 125.2(5) . . ?
N7 C84 C83 109.7(5) . . ?
C84 C85 C86 121.5(5) . . ?
C84 C85 C119 119.8(4) . . ?
C86 C85 C119 118.6(5) . . ?
N8 C86 C85 125.0(5) . . ?
N8 C86 C87 110.6(4) . . ?
C85 C86 C87 123.2(4) . . ?
C88 C87 C86 106.7(4) . . ?
C88 C87 H15 126.7 . . ?
C86 C87 H15 126.7 . . ?
C87 C88 C89 107.1(4) . . ?
C87 C88 H16 126.4 . . ?
C89 C88 H16 126.4 . . ?
N8 C89 C90 125.7(4) . . ?
N8 C89 C88 110.1(4) . . ?
C90 C89 C88 124.0(4) . . ?
C89 C90 C71 119.5(4) . . ?
C89 C90 Pt1 120.8(3) . . ?
C71 C90 Pt1 119.7(3) . . ?
C96 C91 C92 119.8(5) . . ?
C96 C91 C75 119.7(5) . . ?
C92 C91 C75 120.5(5) . . ?
C91 C92 C93 120.2(5) . . ?
C91 C92 H26 119.9 . . ?
C93 C92 H26 119.9 . . ?
C92 C93 C94 118.5(5) . . ?
C92 C93 C97 120.8(6) . . ?
C94 C93 C97 120.7(5) . . ?
C95 C94 C93 122.0(5) . . ?
C95 C94 H27 119.0 . . ?
C93 C94 H27 119.0 . . ?
C94 C95 C96 118.2(5) . . ?
C94 C95 C101 121.4(5) . . ?
C96 C95 C101 120.4(5) . . ?
C91 C96 C95 121.3(5) . . ?
C91 C96 H28 119.3 . . ?
C95 C96 H28 119.3 . . ?
C100 C97 C99 118.3(11) . . ?
C100 C97 C93 114.3(7) . . ?
C99 C97 C93 112.9(7) . . ?
C100 C97 C98 106.9(11) . . ?
C99 C97 C98 96.3(9) . . ?
C93 C97 C98 105.3(7) . . ?
C97 C98 H89 109.5 . . ?
C97 C98 H90 109.5 . . ?
H89 C98 H90 109.5 . . ?
C97 C98 H91 109.5 . . ?
H89 C98 H91 109.5 . . ?
H90 C98 H91 109.5 . . ?
C97 C99 H92 109.5 . . ?
C97 C99 H93 109.5 . . ?
H92 C99 H93 109.5 . . ?
C97 C99 H94 109.5 . . ?
H92 C99 H94 109.5 . . ?
H93 C99 H94 109.5 . . ?
C97 C100 H95 109.5 . . ?
C97 C100 H96 109.5 . . ?
H95 C100 H96 109.5 . . ?
C97 C100 H97 109.5 . . ?
H95 C100 H97 109.5 . . ?
H96 C100 H97 109.5 . . ?
C102 C101 C95 113.0(5) . . ?
C102 C101 C103 110.0(6) . . ?
C95 C101 C103 109.1(5) . . ?
C102 C101 C104 107.2(5) . . ?
C95 C101 C104 109.4(5) . . ?
C103 C101 C104 108.1(5) . . ?
C101 C102 H98 109.5 . . ?
C101 C102 H99 109.5 . . ?
H98 C102 H99 109.5 . . ?
C101 C102 H100 109.5 . . ?
H98 C102 H100 109.5 . . ?
H99 C102 H100 109.5 . . ?
C101 C103 H101 109.5 . . ?
C101 C103 H102 109.5 . . ?
H101 C103 H102 109.5 . . ?
C101 C103 H103 109.5 . . ?
H101 C103 H103 109.5 . . ?
H102 C103 H103 109.5 . . ?
C101 C104 H104 109.5 . . ?
C101 C104 H105 109.5 . . ?
H104 C104 H105 109.5 . . ?
C101 C104 H106 109.5 . . ?
H104 C104 H106 109.5 . . ?
H105 C104 H106 109.5 . . ?
C106 C105 C110 119.3(6) . . ?
C106 C105 C80 122.0(6) . . ?
C110 C105 C80 118.5(6) . . ?
C105 C106 C107 121.8(6) . . ?
C105 C106 H29 119.1 . . ?
C107 C106 H29 119.1 . . ?
C106 C107 C108 116.2(7) . . ?
C106 C107 C111 123.0(7) . . ?
C108 C107 C111 119.4(6) . . ?
C109 C108 C107 123.6(7) . . ?
C109 C108 H30 118.2 . . ?
C107 C108 H30 118.2 . . ?
C110 C109 C108 116.5(7) . . ?
C110 C109 C115 122.8(7) . . ?
C108 C109 C115 120.7(7) . . ?
C109 C110 C105 122.5(6) . . ?
C109 C110 H31 118.8 . . ?
C105 C110 H31 118.8 . . ?
C113 C111 C107 112.0(8) . . ?
C113 C111 C114 111.5(10) . . ?
C107 C111 C114 110.7(7) . . ?
C113 C111 C112 113.4(11) . . ?
C107 C111 C112 104.4(10) . . ?
C114 C111 C112 104.3(8) . . ?
C111 C112 H107 109.5 . . ?
C111 C112 H108 109.5 . . ?
H107 C112 H108 109.5 . . ?
C111 C112 H109 109.5 . . ?
H107 C112 H109 109.5 . . ?
H108 C112 H109 109.5 . . ?
C111 C113 H110 109.5 . . ?
C111 C113 H111 109.5 . . ?
H110 C113 H111 109.5 . . ?
C111 C113 H112 109.5 . . ?
H110 C113 H112 109.5 . . ?
H111 C113 H112 109.5 . . ?
C111 C114 H113 109.5 . . ?
C111 C114 H114 109.5 . . ?
H113 C114 H114 109.5 . . ?
C111 C114 H115 109.5 . . ?
H113 C114 H115 109.5 . . ?
H114 C114 H115 109.5 . . ?
C116 C115 C118 122.9(9) . . ?
C116 C115 C109 112.5(8) . . ?
C118 C115 C109 114.2(7) . . ?
C116 C115 C117 102.7(9) . . ?
C118 C115 C117 96.3(9) . . ?
C109 C115 C117 103.8(8) . . ?
C115 C116 H116 109.5 . . ?
C115 C116 H117 109.5 . . ?
H116 C116 H117 109.5 . . ?
C115 C116 H118 109.5 . . ?
H116 C116 H118 109.5 . . ?
H117 C116 H118 109.5 . . ?
C115 C117 H119 109.5 . . ?
C115 C117 H120 109.5 . . ?
H119 C117 H120 109.5 . . ?
C115 C117 H121 109.5 . . ?
H119 C117 H121 109.5 . . ?
H120 C117 H121 109.5 . . ?
C115 C118 H122 109.5 . . ?
C115 C118 H123 109.5 . . ?
H122 C118 H123 109.5 . . ?
C115 C118 H124 109.5 . . ?
H122 C118 H124 109.5 . . ?
H123 C118 H124 109.5 . . ?
C124 C119 C120 119.6(5) . . ?
C124 C119 C85 120.2(4) . . ?
C120 C119 C85 120.2(5) . . ?
C121 C120 C119 120.2(5) . . ?
C121 C120 H32 119.9 . . ?
C119 C120 H32 119.9 . . ?
C122 C121 C120 118.7(5) . . ?
C122 C121 C125 122.1(5) . . ?
C120 C121 C125 119.1(5) . . ?
C121 C122 C123 121.9(5) . . ?
C121 C122 H33 119.1 . . ?
C123 C122 H33 119.1 . . ?
C124 C123 C122 118.0(5) . . ?
C124 C123 C129 123.1(5) . . ?
C122 C123 C129 118.9(5) . . ?
C119 C124 C123 121.6(5) . . ?
C119 C124 H34 119.2 . . ?
C123 C124 H34 119.2 . . ?
C128 C125 C126 108.3(5) . . ?
C128 C125 C127 109.3(5) . . ?
C126 C125 C127 108.5(5) . . ?
C128 C125 C121 112.5(5) . . ?
C126 C125 C121 108.4(5) . . ?
C127 C125 C121 109.8(4) . . ?
C125 C126 H125 109.5 . . ?
C125 C126 H126 109.5 . . ?
H125 C126 H126 109.5 . . ?
C125 C126 H127 109.5 . . ?
H125 C126 H127 109.5 . . ?
H126 C126 H127 109.5 . . ?
C125 C127 H128 109.5 . . ?
C125 C127 H129 109.5 . . ?
H128 C127 H129 109.5 . . ?
C125 C127 H130 109.5 . . ?
H128 C127 H130 109.5 . . ?
H129 C127 H130 109.5 . . ?
C125 C128 H131 109.5 . . ?
C125 C128 H132 109.5 . . ?
H131 C128 H132 109.5 . . ?
C125 C128 H133 109.5 . . ?
H131 C128 H133 109.5 . . ?
H132 C128 H133 109.5 . . ?
C132 C129 C131 108.7(5) . . ?
C132 C129 C123 112.7(5) . . ?
C131 C129 C123 109.2(5) . . ?
C132 C129 C130 109.1(6) . . ?
C131 C129 C130 107.1(6) . . ?
C123 C129 C130 109.9(5) . . ?
C129 C130 H134 109.5 . . ?
C129 C130 H135 109.5 . . ?
H134 C130 H135 109.5 . . ?
C129 C130 H136 109.5 . . ?
H134 C130 H136 109.5 . . ?
H135 C130 H136 109.5 . . ?
C129 C131 H137 109.5 . . ?
C129 C131 H138 109.5 . . ?
H137 C131 H138 109.5 . . ?
C129 C131 H139 109.5 . . ?
H137 C131 H139 109.5 . . ?
H138 C131 H139 109.5 . . ?
C129 C132 H140 109.5 . . ?
C129 C132 H141 109.5 . . ?
H140 C132 H141 109.5 . . ?
C129 C132 H142 109.5 . . ?
H140 C132 H142 109.5 . . ?
H141 C132 H142 109.5 . . ?
C138 C133 C134 118.2(6) . . ?
C138 C133 Cl2 123.4(6) . . ?
C134 C133 Cl2 118.4(6) . . ?
C135 C134 C133 119.2(6) . . ?
C135 C134 H155 120.4 . . ?
C133 C134 H155 120.4 . . ?
C136 C135 C134 119.8(6) . . ?
C136 C135 H156 120.1 . . ?
C134 C135 H156 120.1 . . ?
C137 C136 C135 119.5(7) . . ?
C137 C136 H157 120.3 . . ?
C135 C136 H157 120.3 . . ?
C138 C137 C136 121.9(7) . . ?
C138 C137 H158 119.1 . . ?
C136 C137 H158 119.1 . . ?
C137 C138 C133 121.4(7) . . ?
C137 C138 Cl1 119.2(7) . . ?
C133 C138 Cl1 119.4(7) . . ?
C144 C139 C140 120.4(7) . . ?
C144 C139 Cl3 121.3(6) . . ?
C140 C139 Cl3 118.3(6) . . ?
C141 C140 C139 119.8(7) . . ?
C141 C140 H159 120.1 . . ?
C139 C140 H159 120.1 . . ?
C140 C141 C142 120.4(6) . . ?
C140 C141 H160 119.8 . . ?
C142 C141 H160 119.8 . . ?
C141 C142 C143 119.5(6) . . ?
C141 C142 H161 120.2 . . ?
C143 C142 H161 120.2 . . ?
C144 C143 C142 119.8(6) . . ?
C144 C143 H162 120.1 . . ?
C142 C143 H162 120.1 . . ?
C139 C144 C143 120.0(6) . . ?
C139 C144 Cl4 122.1(6) . . ?
C143 C144 Cl4 118.0(5) . . ?
C156 C151 C152 121.9(10) . . ?
C156 C151 Cl7 119.5(8) . . ?
C152 C151 Cl7 118.6(8) . . ?
C153 C152 C151 120.3(9) . . ?
C153 C152 Cl8 117.6(7) . . ?
C151 C152 Cl8 122.1(7) . . ?
C152 C153 C154 117.1(8) . . ?
C152 C153 H167 121.4 . . ?
C154 C153 H167 121.4 . . ?
C155 C154 C153 125.3(10) . . ?
C155 C154 H168 117.4 . . ?
C153 C154 H168 117.4 . . ?
C154 C155 C156 118.2(10) . . ?
C154 C155 H169 120.9 . . ?
C156 C155 H169 120.9 . . ?
C151 C156 C155 117.0(10) . . ?
C151 C156 H170 121.5 . . ?
C155 C156 H170 121.5 . . ?
C158 C157 C162 121.4(5) . . ?
C158 C157 Cl9 120.0(4) . . ?
C162 C157 Cl9 118.6(4) . . ?
C157 C158 C159 119.8(5) . . ?
C157 C158 Cl10 121.3(4) . . ?
C159 C158 Cl10 118.9(4) . . ?
C160 C159 C158 121.5(6) . . ?
C160 C159 H171 119.3 . . ?
C158 C159 H171 119.3 . . ?
C159 C160 C161 118.6(5) . . ?
C159 C160 H172 120.7 . . ?
C161 C160 H172 120.7 . . ?
C162 C161 C160 121.8(6) . . ?
C162 C161 H173 119.1 . . ?
C160 C161 H173 119.1 . . ?
C161 C162 C157 116.9(6) . . ?
C161 C162 H174 121.6 . . ?
C157 C162 H174 121.6 . . ?
C4 N1 C1 105.0(4) . . ?
C4 N1 Ni1 128.0(3) . . ?
C1 N1 Ni1 126.9(3) . . ?
C6 N2 C9 105.5(4) . . ?
C6 N2 Ni1 127.7(3) . . ?
C9 N2 Ni1 126.7(3) . . ?
C11 N3 C14 104.6(4) . . ?
C11 N3 Ni1 127.4(3) . . ?
C14 N3 Ni1 128.0(3) . . ?
C16 N4 C19 105.1(4) . . ?
C16 N4 Ni1 127.6(3) . . ?
C19 N4 Ni1 127.3(3) . . ?
C71 N5 C74 105.7(4) . . ?
C71 N5 Ni2 127.5(3) . . ?
C74 N5 Ni2 126.7(3) . . ?
C79 N6 C76 106.8(5) . . ?
C79 N6 Ni2 127.5(4) . . ?
C76 N6 Ni2 125.4(4) . . ?
C81 N7 C84 105.9(4) . . ?
C81 N7 Ni2 126.9(4) . . ?
C84 N7 Ni2 127.2(4) . . ?
C89 N8 C86 105.3(4) . . ?
C89 N8 Ni2 128.1(3) . . ?
C86 N8 Ni2 126.6(3) . . ?
N1 Ni1 N4 89.80(16) . . ?
N1 Ni1 N3 177.95(17) . . ?
N4 Ni1 N3 89.66(16) . . ?
N1 Ni1 N2 89.81(16) . . ?
N4 Ni1 N2 177.87(17) . . ?
N3 Ni1 N2 90.80(16) . . ?
N5 Ni2 N8 88.94(16) . . ?
N5 Ni2 N6 90.62(18) . . ?
N8 Ni2 N6 177.27(18) . . ?
N5 Ni2 N7 177.28(18) . . ?
N8 Ni2 N7 90.23(18) . . ?
N6 Ni2 N7 90.32(19) . . ?
C20 Pt1 C90 84.00(18) . . ?
C20 Pt1 C63 93.87(19) . . ?
C90 Pt1 C63 163.43(18) . . ?
C20 Pt1 C67 163.07(18) . . ?
C90 Pt1 C67 92.90(18) . . ?
C63 Pt1 C67 93.68(19) . . ?
C20 Pt1 C64 97.33(18) . . ?
C90 Pt1 C64 161.53(18) . . ?
C63 Pt1 C64 35.04(19) . . ?
C67 Pt1 C64 80.46(19) . . ?
C20 Pt1 C68 161.69(18) . . ?
C90 Pt1 C68 96.54(19) . . ?
C63 Pt1 C68 80.38(19) . . ?
C67 Pt1 C68 35.16(18) . . ?
C64 Pt1 C68 87.94(19) . . ?
C146 C145 C150 120.0 . . ?
C146 C145 Cl6 121.8(5) . . ?
C150 C145 Cl6 118.2(5) . . ?
C145 C146 C147 120.0 . . ?
C145 C146 H175 120.0 . . ?
C147 C146 H175 120.0 . . ?
C148 C147 C146 120.0 . . ?
C148 C147 H176 120.0 . . ?
C146 C147 H176 120.0 . . ?
C149 C148 C147 120.0 . . ?
C149 C148 H177 120.0 . . ?
C147 C148 H177 120.0 . . ?
C148 C149 C150 120.0 . . ?
C148 C149 H178 120.0 . . ?
C150 C149 H178 120.0 . . ?
C149 C150 C145 120.0 . . ?
C149 C150 Cl5 115.2(6) . . ?
C145 C150 Cl5 124.8(6) . . ?
C164 C163 C168 120.0 . . ?
C164 C163 H179 120.0 . . ?
C168 C163 H179 120.0 . . ?
C163 C164 C165 120.0 . . ?
C163 C164 H180 120.0 . . ?
C165 C164 H180 120.0 . . ?
C166 C165 C164 120.0 . . ?
C166 C165 Cl12 107.2(12) . . ?
C164 C165 Cl12 131.5(12) . . ?
C167 C166 C165 120.0 . . ?
C167 C166 Cl11 107.2(12) . . ?
C165 C166 Cl11 132.6(12) . . ?
C166 C167 C168 120.0 . . ?
C166 C167 H181 120.0 . . ?
C168 C167 H181 120.0 . . ?
C167 C168 C163 120.0 . . ?
C167 C168 H182 120.0 . . ?
C163 C168 H182 120.0 . . ?

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 -170.2(5) . . . . ?
N1 C1 C2 C3 3.5(6) . . . . ?
C1 C2 C3 C4 -3.6(6) . . . . ?
C2 C3 C4 N1 2.5(6) . . . . ?
C2 C3 C4 C5 -170.8(5) . . . . ?
N1 C4 C5 C6 -10.8(7) . . . . ?
C3 C4 C5 C6 161.5(5) . . . . ?
N1 C4 C5 C21 174.0(4) . . . . ?
C3 C4 C5 C21 -13.7(7) . . . . ?
C4 C5 C6 N2 6.0(7) . . . . ?
C21 C5 C6 N2 -178.8(4) . . . . ?
C4 C5 C6 C7 -168.2(5) . . . . ?
C21 C5 C6 C7 6.9(7) . . . . ?
N2 C6 C7 C8 -3.6(6) . . . . ?
C5 C6 C7 C8 171.3(5) . . . . ?
C6 C7 C8 C9 3.1(6) . . . . ?
C7 C8 C9 C10 169.9(5) . . . . ?
C7 C8 C9 N2 -1.6(6) . . . . ?
N2 C9 C10 C11 5.9(8) . . . . ?
C8 C9 C10 C11 -164.2(5) . . . . ?
N2 C9 C10 C35 172.9(5) . . . . ?
C8 C9 C10 C35 2.8(8) . . . . ?
C9 C10 C11 N3 -3.0(8) . . . . ?
C35 C10 C11 N3 -170.1(4) . . . . ?
C9 C10 C11 C12 165.9(5) . . . . ?
C35 C10 C11 C12 -1.2(7) . . . . ?
N3 C11 C12 C13 3.3(6) . . . . ?
C10 C11 C12 C13 -167.1(5) . . . . ?
C11 C12 C13 C14 -2.5(6) . . . . ?
C12 C13 C14 C15 -176.6(5) . . . . ?
C12 C13 C14 N3 1.1(6) . . . . ?
N3 C14 C15 C16 -9.5(7) . . . . ?
C13 C14 C15 C16 167.8(5) . . . . ?
N3 C14 C15 C49 174.5(4) . . . . ?
C13 C14 C15 C49 -8.2(7) . . . . ?
C14 C15 C16 N4 5.2(7) . . . . ?
C49 C15 C16 N4 -178.8(4) . . . . ?
C14 C15 C16 C17 -163.4(5) . . . . ?
C49 C15 C16 C17 12.6(7) . . . . ?
N4 C16 C17 C18 -3.5(6) . . . . ?
C15 C16 C17 C18 166.5(5) . . . . ?
C16 C17 C18 C19 2.9(6) . . . . ?
C17 C18 C19 N4 -1.5(6) . . . . ?
C17 C18 C19 C20 174.9(5) . . . . ?
N4 C19 C20 C1 14.2(8) . . . . ?
C18 C19 C20 C1 -161.7(5) . . . . ?
N4 C19 C20 Pt1 -165.9(4) . . . . ?
C18 C19 C20 Pt1 18.3(7) . . . . ?
N1 C1 C20 C19 -9.0(7) . . . . ?
C2 C1 C20 C19 163.7(5) . . . . ?
N1 C1 C20 Pt1 171.1(3) . . . . ?
C2 C1 C20 Pt1 -16.3(7) . . . . ?
C4 C5 C21 C22 123.4(5) . . . . ?
C6 C5 C21 C22 -51.8(7) . . . . ?
C4 C5 C21 C25 -56.4(6) . . . . ?
C6 C5 C21 C25 128.3(5) . . . . ?
C25 C21 C22 C23 -3.3(7) . . . . ?
C5 C21 C22 C23 176.9(5) . . . . ?
C21 C22 C23 C24 2.5(8) . . . . ?
C21 C22 C23 C27 -175.9(5) . . . . ?
C22 C23 C24 C26 0.0(9) . . . . ?
C27 C23 C24 C26 178.4(5) . . . . ?
C22 C21 C25 C26 1.6(8) . . . . ?
C5 C21 C25 C26 -178.6(5) . . . . ?
C23 C24 C26 C25 -1.6(9) . . . . ?
C23 C24 C26 C31 176.2(6) . . . . ?
C21 C25 C26 C24 0.8(8) . . . . ?
C21 C25 C26 C31 -177.1(5) . . . . ?
C24 C23 C27 C29 125.9(8) . . . . ?
C22 C23 C27 C29 -55.8(9) . . . . ?
C24 C23 C27 C28 -111.5(9) . . . . ?
C22 C23 C27 C28 66.8(9) . . . . ?
C24 C23 C27 C30 7.6(10) . . . . ?
C22 C23 C27 C30 -174.1(7) . . . . ?
C24 C26 C31 C34 137.9(7) . . . . ?
C25 C26 C31 C34 -44.3(9) . . . . ?
C24 C26 C31 C33 13.9(9) . . . . ?
C25 C26 C31 C33 -168.2(6) . . . . ?
C24 C26 C31 C32 -103.9(7) . . . . ?
C25 C26 C31 C32 73.9(7) . . . . ?
C9 C10 C35 C36 107.3(6) . . . . ?
C11 C10 C35 C36 -85.1(6) . . . . ?
C9 C10 C35 C40 -73.9(6) . . . . ?
C11 C10 C35 C40 93.6(6) . . . . ?
C40 C35 C36 C37 -1.6(8) . . . . ?
C10 C35 C36 C37 177.2(5) . . . . ?
C35 C36 C37 C38 1.5(9) . . . . ?
C35 C36 C37 C41 179.4(6) . . . . ?
C36 C37 C38 C39 -0.6(9) . . . . ?
C41 C37 C38 C39 -178.3(7) . . . . ?
C37 C38 C39 C40 -0.4(8) . . . . ?
C37 C38 C39 C45 -179.0(6) . . . . ?
C38 C39 C40 C35 0.4(8) . . . . ?
C45 C39 C40 C35 179.0(5) . . . . ?
C36 C35 C40 C39 0.6(8) . . . . ?
C10 C35 C40 C39 -178.2(5) . . . . ?
C38 C37 C41 C43 119.2(10) . . . . ?
C36 C37 C41 C43 -58.6(9) . . . . ?
C38 C37 C41 C42 -117.5(12) . . . . ?
C36 C37 C41 C42 64.8(14) . . . . ?
C38 C37 C41 C44 -0.8(11) . . . . ?
C36 C37 C41 C44 -178.5(7) . . . . ?
C40 C39 C45 C48 -1.6(10) . . . . ?
C38 C39 C45 C48 177.0(7) . . . . ?
C40 C39 C45 C46 122.8(7) . . . . ?
C38 C39 C45 C46 -58.6(8) . . . . ?
C40 C39 C45 C47 -119.4(7) . . . . ?
C38 C39 C45 C47 59.2(8) . . . . ?
C14 C15 C49 C54 63.0(6) . . . . ?
C16 C15 C49 C54 -113.1(5) . . . . ?
C14 C15 C49 C50 -120.6(5) . . . . ?
C16 C15 C49 C50 63.3(6) . . . . ?
C54 C49 C50 C51 -0.9(7) . . . . ?
C15 C49 C50 C51 -177.4(4) . . . . ?
C49 C50 C51 C52 -1.0(7) . . . . ?
C49 C50 C51 C55 179.5(5) . . . . ?
C50 C51 C52 C53 0.8(8) . . . . ?
C55 C51 C52 C53 -179.7(5) . . . . ?
C51 C52 C53 C54 1.2(8) . . . . ?
C51 C52 C53 C59 176.9(5) . . . . ?
C50 C49 C54 C53 3.1(7) . . . . ?
C15 C49 C54 C53 179.5(4) . . . . ?
C52 C53 C54 C49 -3.2(7) . . . . ?
C59 C53 C54 C49 -179.1(5) . . . . ?
C52 C51 C55 C57 -89.0(13) . . . . ?
C50 C51 C55 C57 90.5(13) . . . . ?
C52 C51 C55 C56 145.8(9) . . . . ?
C50 C51 C55 C56 -34.7(10) . . . . ?
C52 C51 C55 C58 30.7(11) . . . . ?
C50 C51 C55 C58 -149.8(9) . . . . ?
C54 C53 C59 C60 -51.0(8) . . . . ?
C52 C53 C59 C60 133.4(6) . . . . ?
C54 C53 C59 C62 -171.5(5) . . . . ?
C52 C53 C59 C62 12.8(8) . . . . ?
C54 C53 C59 C61 69.3(7) . . . . ?
C52 C53 C59 C61 -106.3(7) . . . . ?
C70 C63 C64 C65 5.6(9) . . . . ?
Pt1 C63 C64 C65 102.4(5) . . . . ?
C70 C63 C64 Pt1 -96.8(6) . . . . ?
C63 C64 C65 C66 -89.7(7) . . . . ?
Pt1 C64 C65 C66 -8.7(6) . . . . ?
C64 C65 C66 C67 32.0(7) . . . . ?
C65 C66 C67 C68 43.6(8) . . . . ?
C65 C66 C67 Pt1 -36.9(6) . . . . ?
C66 C67 C68 C69 4.3(8) . . . . ?
Pt1 C67 C68 C69 102.6(5) . . . . ?
C66 C67 C68 Pt1 -98.3(5) . . . . ?
C67 C68 C69 C70 -90.5(7) . . . . ?
Pt1 C68 C69 C70 -9.2(6) . . . . ?
C64 C63 C70 C69 40.4(8) . . . . ?
Pt1 C63 C70 C69 -39.8(6) . . . . ?
C68 C69 C70 C63 34.5(8) . . . . ?
N5 C71 C72 C73 4.7(6) . . . . ?
C90 C71 C72 C73 -164.3(5) . . . . ?
C71 C72 C73 C74 -4.0(6) . . . . ?
C72 C73 C74 N5 2.1(6) . . . . ?
C72 C73 C74 C75 -171.7(5) . . . . ?
N5 C74 C75 C76 -15.5(8) . . . . ?
C73 C74 C75 C76 157.3(5) . . . . ?
N5 C74 C75 C91 169.3(5) . . . . ?
C73 C74 C75 C91 -17.9(7) . . . . ?
C74 C75 C76 N6 10.2(9) . . . . ?
C91 C75 C76 N6 -174.8(5) . . . . ?
C74 C75 C76 C77 -161.4(6) . . . . ?
C91 C75 C76 C77 13.7(9) . . . . ?
C75 C76 C77 C78 170.9(6) . . . . ?
N6 C76 C77 C78 -1.9(8) . . . . ?
C76 C77 C78 C79 2.9(9) . . . . ?
C77 C78 C79 N6 -3.0(9) . . . . ?
C77 C78 C79 C80 167.8(7) . . . . ?
N6 C79 C80 C81 5.4(10) . . . . ?
C78 C79 C80 C81 -163.8(7) . . . . ?
N6 C79 C80 C105 172.0(6) . . . . ?
C78 C79 C80 C105 2.7(10) . . . . ?
C79 C80 C81 N7 -2.2(10) . . . . ?
C105 C80 C81 N7 -168.9(6) . . . . ?
C79 C80 C81 C82 168.9(6) . . . . ?
C105 C80 C81 C82 2.2(10) . . . . ?
C80 C81 C82 C83 -168.2(6) . . . . ?
N7 C81 C82 C83 4.2(7) . . . . ?
C81 C82 C83 C84 -3.0(7) . . . . ?
C82 C83 C84 C85 -178.6(5) . . . . ?
C82 C83 C84 N7 0.9(7) . . . . ?
N7 C84 C85 C86 -13.8(8) . . . . ?
C83 C84 C85 C86 165.6(5) . . . . ?
N7 C84 C85 C119 170.0(5) . . . . ?
C83 C84 C85 C119 -10.6(8) . . . . ?
C84 C85 C86 N8 4.2(8) . . . . ?
C119 C85 C86 N8 -179.6(4) . . . . ?
C84 C85 C86 C87 -161.7(5) . . . . ?
C119 C85 C86 C87 14.6(7) . . . . ?
N8 C86 C87 C88 -4.4(6) . . . . ?
C85 C86 C87 C88 163.2(5) . . . . ?
C86 C87 C88 C89 3.7(5) . . . . ?
C87 C88 C89 N8 -1.9(5) . . . . ?
C87 C88 C89 C90 172.8(4) . . . . ?
N8 C89 C90 C71 12.4(7) . . . . ?
C88 C89 C90 C71 -161.5(4) . . . . ?
N8 C89 C90 Pt1 -169.7(3) . . . . ?
C88 C89 C90 Pt1 16.3(6) . . . . ?
N5 C71 C90 C89 -5.4(7) . . . . ?
C72 C71 C90 C89 162.0(4) . . . . ?
N5 C71 C90 Pt1 176.8(3) . . . . ?
C72 C71 C90 Pt1 -15.9(6) . . . . ?
C76 C75 C91 C96 94.0(7) . . . . ?
C74 C75 C91 C96 -90.9(6) . . . . ?
C76 C75 C91 C92 -88.3(7) . . . . ?
C74 C75 C91 C92 86.9(7) . . . . ?
C96 C91 C92 C93 1.4(10) . . . . ?
C75 C91 C92 C93 -176.4(6) . . . . ?
C91 C92 C93 C94 -2.0(11) . . . . ?
C91 C92 C93 C97 179.4(7) . . . . ?
C92 C93 C94 C95 1.9(11) . . . . ?
C97 C93 C94 C95 -179.5(7) . . . . ?
C93 C94 C95 C96 -1.2(9) . . . . ?
C93 C94 C95 C101 178.8(6) . . . . ?
C92 C91 C96 C95 -0.7(9) . . . . ?
C75 C91 C96 C95 177.2(5) . . . . ?
C94 C95 C96 C91 0.6(8) . . . . ?
C101 C95 C96 C91 -179.5(5) . . . . ?
C92 C93 C97 C100 -0.8(16) . . . . ?
C94 C93 C97 C100 -179.4(12) . . . . ?
C92 C93 C97 C99 -139.9(10) . . . . ?
C94 C93 C97 C99 41.5(13) . . . . ?
C92 C93 C97 C98 116.2(9) . . . . ?
C94 C93 C97 C98 -62.4(10) . . . . ?
C94 C95 C101 C102 -7.3(9) . . . . ?
C96 C95 C101 C102 172.7(6) . . . . ?
C94 C95 C101 C103 115.3(7) . . . . ?
C96 C95 C101 C103 -64.7(7) . . . . ?
C94 C95 C101 C104 -126.6(6) . . . . ?
C96 C95 C101 C104 53.4(7) . . . . ?
C81 C80 C105 C106 -110.7(8) . . . . ?
C79 C80 C105 C106 82.2(9) . . . . ?
C81 C80 C105 C110 63.5(9) . . . . ?
C79 C80 C105 C110 -103.5(8) . . . . ?
C110 C105 C106 C107 6.2(11) . . . . ?
C80 C105 C106 C107 -179.6(7) . . . . ?
C105 C106 C107 C108 -4.8(12) . . . . ?
C105 C106 C107 C111 -171.2(8) . . . . ?
C106 C107 C108 C109 1.5(14) . . . . ?
C111 C107 C108 C109 168.5(9) . . . . ?
C107 C108 C109 C110 0.3(14) . . . . ?
C107 C108 C109 C115 178.4(9) . . . . ?
C108 C109 C110 C105 1.1(13) . . . . ?
C115 C109 C110 C105 -177.0(8) . . . . ?
C106 C105 C110 C109 -4.3(12) . . . . ?
C80 C105 C110 C109 -178.7(7) . . . . ?
C106 C107 C111 C113 103.8(11) . . . . ?
C108 C107 C111 C113 -62.2(13) . . . . ?
C106 C107 C111 C114 -21.4(14) . . . . ?
C108 C107 C111 C114 172.6(9) . . . . ?
C106 C107 C111 C112 -133.1(10) . . . . ?
C108 C107 C111 C112 60.9(12) . . . . ?
C110 C109 C115 C116 130.9(11) . . . . ?
C108 C109 C115 C116 -47.1(14) . . . . ?
C110 C109 C115 C118 -15.3(14) . . . . ?
C108 C109 C115 C118 166.7(10) . . . . ?
C110 C109 C115 C117 -118.8(9) . . . . ?
C108 C109 C115 C117 63.2(10) . . . . ?
C84 C85 C119 C124 -115.1(6) . . . . ?
C86 C85 C119 C124 68.6(7) . . . . ?
C84 C85 C119 C120 63.3(7) . . . . ?
C86 C85 C119 C120 -113.0(6) . . . . ?
C124 C119 C120 C121 1.4(9) . . . . ?
C85 C119 C120 C121 -177.0(5) . . . . ?
C119 C120 C121 C122 -0.8(9) . . . . ?
C119 C120 C121 C125 177.0(5) . . . . ?
C120 C121 C122 C123 -0.5(9) . . . . ?
C125 C121 C122 C123 -178.3(6) . . . . ?
C121 C122 C123 C124 1.2(9) . . . . ?
C121 C122 C123 C129 179.9(5) . . . . ?
C120 C119 C124 C123 -0.7(9) . . . . ?
C85 C119 C124 C123 177.7(5) . . . . ?
C122 C123 C124 C119 -0.6(9) . . . . ?
C129 C123 C124 C119 -179.2(5) . . . . ?
C122 C121 C125 C128 -1.3(9) . . . . ?
C120 C121 C125 C128 -179.0(6) . . . . ?
C122 C121 C125 C126 118.4(6) . . . . ?
C120 C121 C125 C126 -59.3(7) . . . . ?
C122 C121 C125 C127 -123.2(6) . . . . ?
C120 C121 C125 C127 59.0(7) . . . . ?
C124 C123 C129 C132 -1.1(9) . . . . ?
C122 C123 C129 C132 -179.7(6) . . . . ?
C124 C123 C129 C131 119.8(6) . . . . ?
C122 C123 C129 C131 -58.8(7) . . . . ?
C124 C123 C129 C130 -123.0(6) . . . . ?
C122 C123 C129 C130 58.4(7) . . . . ?
C138 C133 C134 C135 0.1(10) . . . . ?
Cl2 C133 C134 C135 -179.5(5) . . . . ?
C133 C134 C135 C136 0.0(9) . . . . ?
C134 C135 C136 C137 0.2(10) . . . . ?
C135 C136 C137 C138 -0.6(12) . . . . ?
C136 C137 C138 C133 0.8(14) . . . . ?
C136 C137 C138 Cl1 -180.0(7) . . . . ?
C134 C133 C138 C137 -0.5(12) . . . . ?
Cl2 C133 C138 C137 179.0(7) . . . . ?
C134 C133 C138 Cl1 -179.8(5) . . . . ?
Cl2 C133 C138 Cl1 -0.2(10) . . . . ?
C144 C139 C140 C141 0.3(11) . . . . ?
Cl3 C139 C140 C141 179.8(6) . . . . ?
C139 C140 C141 C142 -0.4(10) . . . . ?
C140 C141 C142 C143 -0.1(9) . . . . ?
C141 C142 C143 C144 0.7(9) . . . . ?
C140 C139 C144 C143 0.3(11) . . . . ?
Cl3 C139 C144 C143 -179.2(5) . . . . ?
C140 C139 C144 Cl4 -179.7(6) . . . . ?
Cl3 C139 C144 Cl4 0.8(10) . . . . ?
C142 C143 C144 C139 -0.8(10) . . . . ?
C142 C143 C144 Cl4 179.2(5) . . . . ?
C156 C151 C152 C153 1.4(15) . . . . ?
Cl7 C151 C152 C153 -177.6(7) . . . . ?
C156 C151 C152 Cl8 -176.1(9) . . . . ?
Cl7 C151 C152 Cl8 4.9(12) . . . . ?
C151 C152 C153 C154 1.5(13) . . . . ?
Cl8 C152 C153 C154 179.2(6) . . . . ?
C152 C153 C154 C155 -2.3(14) . . . . ?
C153 C154 C155 C156 0.2(16) . . . . ?
C152 C151 C156 C155 -3.5(16) . . . . ?
Cl7 C151 C156 C155 175.5(8) . . . . ?
C154 C155 C156 C151 2.7(16) . . . . ?
C162 C157 C158 C159 1.0(8) . . . . ?
Cl9 C157 C158 C159 179.6(4) . . . . ?
C162 C157 C158 Cl10 -176.0(4) . . . . ?
Cl9 C157 C158 Cl10 2.7(6) . . . . ?
C157 C158 C159 C160 1.1(8) . . . . ?
Cl10 C158 C159 C160 178.1(4) . . . . ?
C158 C159 C160 C161 -2.1(8) . . . . ?
C159 C160 C161 C162 1.2(9) . . . . ?
C160 C161 C162 C157 0.8(9) . . . . ?
C158 C157 C162 C161 -1.9(8) . . . . ?
Cl9 C157 C162 C161 179.5(4) . . . . ?
C5 C4 N1 C1 172.9(5) . . . . ?
C3 C4 N1 C1 -0.4(5) . . . . ?
C5 C4 N1 Ni1 -2.6(7) . . . . ?
C3 C4 N1 Ni1 -175.8(3) . . . . ?
C20 C1 N1 C4 171.7(5) . . . . ?
C2 C1 N1 C4 -1.9(5) . . . . ?
C20 C1 N1 Ni1 -12.8(7) . . . . ?
C2 C1 N1 Ni1 173.6(3) . . . . ?
C5 C6 N2 C9 -172.4(5) . . . . ?
C7 C6 N2 C9 2.6(5) . . . . ?
C5 C6 N2 Ni1 11.9(7) . . . . ?
C7 C6 N2 Ni1 -173.1(3) . . . . ?
C10 C9 N2 C6 -171.9(5) . . . . ?
C8 C9 N2 C6 -0.7(5) . . . . ?
C10 C9 N2 Ni1 3.8(7) . . . . ?
C8 C9 N2 Ni1 175.1(3) . . . . ?
C10 C11 N3 C14 167.6(5) . . . . ?
C12 C11 N3 C14 -2.5(5) . . . . ?
C10 C11 N3 Ni1 -9.4(7) . . . . ?
C12 C11 N3 Ni1 -179.6(3) . . . . ?
C15 C14 N3 C11 178.6(4) . . . . ?
C13 C14 N3 C11 0.9(5) . . . . ?
C15 C14 N3 Ni1 -4.4(7) . . . . ?
C13 C14 N3 Ni1 178.0(3) . . . . ?
C15 C16 N4 C19 -167.4(5) . . . . ?
C17 C16 N4 C19 2.4(5) . . . . ?
C15 C16 N4 Ni1 13.1(7) . . . . ?
C17 C16 N4 Ni1 -177.1(3) . . . . ?
C20 C19 N4 C16 -176.9(5) . . . . ?
C18 C19 N4 C16 -0.6(5) . . . . ?
C20 C19 N4 Ni1 2.7(7) . . . . ?
C18 C19 N4 Ni1 179.0(3) . . . . ?
C90 C71 N5 C74 165.6(4) . . . . ?
C72 C71 N5 C74 -3.4(5) . . . . ?
C90 C71 N5 Ni2 -17.0(7) . . . . ?
C72 C71 N5 Ni2 174.0(3) . . . . ?
C75 C74 N5 C71 174.6(5) . . . . ?
C73 C74 N5 C71 0.9(5) . . . . ?
C75 C74 N5 Ni2 -2.8(7) . . . . ?
C73 C74 N5 Ni2 -176.5(3) . . . . ?
C80 C79 N6 C76 -168.9(6) . . . . ?
C78 C79 N6 C76 1.7(7) . . . . ?
C80 C79 N6 Ni2 5.4(9) . . . . ?
C78 C79 N6 Ni2 176.1(5) . . . . ?
C75 C76 N6 C79 -172.7(6) . . . . ?
C77 C76 N6 C79 0.0(7) . . . . ?
C75 C76 N6 Ni2 12.8(8) . . . . ?
C77 C76 N6 Ni2 -174.5(4) . . . . ?
C80 C81 N7 C84 168.8(6) . . . . ?
C82 C81 N7 C84 -3.5(6) . . . . ?
C80 C81 N7 Ni2 -11.7(9) . . . . ?
C82 C81 N7 Ni2 176.0(4) . . . . ?
C85 C84 N7 C81 -178.8(5) . . . . ?
C83 C84 N7 C81 1.7(6) . . . . ?
C85 C84 N7 Ni2 1.7(8) . . . . ?
C83 C84 N7 Ni2 -177.8(4) . . . . ?
C90 C89 N8 C86 -175.4(4) . . . . ?
C88 C89 N8 C86 -0.8(5) . . . . ?
C90 C89 N8 Ni2 3.1(7) . . . . ?
C88 C89 N8 Ni2 177.7(3) . . . . ?
C85 C86 N8 C89 -164.2(5) . . . . ?
C87 C86 N8 C89 3.1(5) . . . . ?
C85 C86 N8 Ni2 17.2(7) . . . . ?
C87 C86 N8 Ni2 -175.4(3) . . . . ?
C150 C145 C146 C147 0.0 . . . . ?
Cl6 C145 C146 C147 179.5(6) . . . . ?
C145 C146 C147 C148 0.0 . . . . ?
C146 C147 C148 C149 0.0 . . . . ?
C147 C148 C149 C150 0.0 . . . . ?
C148 C149 C150 C145 0.0 . . . . ?
C148 C149 C150 Cl5 179.2(7) . . . . ?
C146 C145 C150 C149 0.0 . . . . ?
Cl6 C145 C150 C149 -179.5(6) . . . . ?
C146 C145 C150 Cl5 -179.1(7) . . . . ?
Cl6 C145 C150 Cl5 1.4(7) . . . . ?
C168 C163 C164 C165 0.0 . . . . ?
C163 C164 C165 C166 0.0 . . . . ?
C163 C164 C165 Cl12 165.1(17) . . . . ?
C164 C165 C166 C167 0.0 . . . . ?
Cl12 C165 C166 C167 -168.4(13) . . . . ?
C164 C165 C166 Cl11 173.3(19) . . . . ?
Cl12 C165 C166 Cl11 4.9(14) . . . . ?
C165 C166 C167 C168 0.0 . . . . ?
Cl11 C166 C167 C168 -174.8(14) . . . . ?
C166 C167 C168 C163 0.0 . . . . ?
C164 C163 C168 C167 0.0 . . . . ?

_refine_diff_density_max         3.279
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.124



