#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:56:44 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265922 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/06/1560622.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1560622
loop_
_publ_author_name
'Miyagawa, Kazuya'
'Hisaki, Ichiro'
'Fukui, Norihito'
'Shinokubo, Hiroshi'
_publ_section_title
;
 Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused
 diporphyrin
;
_journal_issue                   14
_journal_name_full               'Chemical Science'
_journal_page_first              5224
_journal_page_last               5229
_journal_paper_doi               10.1039/D1SC00438G
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C212 H200 N16 Ni4, 6(C7 H8)'
_chemical_formula_sum            'C254 H248 N16 Ni4'
_chemical_formula_weight         3759.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-01-13 deposited with the CCDC.	2021-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                104.279(2)
_cell_angle_beta                 98.423(2)
_cell_angle_gamma                111.649(2)
_cell_formula_units_Z            2
_cell_length_a                   21.0654(6)
_cell_length_b                   22.4572(6)
_cell_length_c                   25.0542(7)
_cell_measurement_reflns_used    32157
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.7990
_cell_measurement_theta_min      1.5890
_cell_volume                     10298.3(6)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Yadokari-XG 2009(Wakita Nemoto et al.)'
_computing_publication_material  'Yadokari-XG 2009(Wakita,Nemoto et al.)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.838
_diffrn_measurement_device_type  'SPring-8 BL40XU, Pilatus100K, DECTRIS'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.81104
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.1005
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.838
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            117152
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.838
_diffrn_reflns_theta_full        29.119
_diffrn_reflns_theta_max         31.467
_diffrn_reflns_theta_min         1.594
_exptl_absorpt_coefficient_mu    0.594
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78403
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3992
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.654
_refine_diff_density_min         -0.669
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2453
_refine_ls_number_reflns         38537
_refine_ls_number_restraints     187
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1376
_refine_ls_R_factor_gt           0.0926
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1632P)²+3.4308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2561
_refine_ls_wR_factor_ref         0.2855
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23793
_reflns_number_total             38537
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc00438g2.cif
_cod_data_source_block           KM200214_a
_cod_depositor_comments
'Adding full bibliography for 1560621--1560622.cif.'
_cod_original_cell_volume        10298.3(5)
_cod_database_code               1560622
_shelx_shelxl_version_number     2018/3
_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'
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
Ni3 Ni 0.60460(3) 0.35842(3) 0.35474(3) 0.04365(17) Uani 1 1 d . . . . .
Ni4 Ni 0.43097(3) 0.65589(4) 0.39063(3) 0.05054(19) Uani 1 1 d . . . . .
N1 N 0.36936(19) 0.21566(18) 0.06034(15) 0.0402(9) Uani 1 1 d . . . . .
N2 N 0.60270(18) 0.65392(18) 0.14612(15) 0.0369(8) Uani 1 1 d . . . . .
N3 N 0.43334(17) 0.33952(17) 0.05337(15) 0.0361(8) Uani 1 1 d . . . . .
N4 N 0.71831(18) 0.62326(18) 0.13920(15) 0.0373(8) Uani 1 1 d . . . . .
N5 N 0.52098(19) 0.3651(2) 0.37103(16) 0.0418(9) Uani 1 1 d . . . . .
N6 N 0.24500(19) 0.22996(19) 0.05133(16) 0.0427(9) Uani 1 1 d . . . . .
N7 N 0.31631(18) 0.36436(18) 0.06004(15) 0.0370(8) Uani 1 1 d . . . . .
N8 N 0.79816(19) 0.7386(2) 0.23169(16) 0.0445(9) Uani 1 1 d . . . . .
N26 N 0.68225(18) 0.77006(19) 0.23119(16) 0.0429(9) Uani 1 1 d . . . . .
N10 N 0.66483(18) 0.44949(19) 0.41003(16) 0.0421(9) Uani 1 1 d . . . . .
N11 N 0.6881(2) 0.3509(2) 0.33659(17) 0.0485(10) Uani 1 1 d . . . . .
N12 N 0.5054(2) 0.6377(2) 0.42364(16) 0.0488(10) Uani 1 1 d . . . . .
N13 N 0.5023(2) 0.7406(2) 0.39089(17) 0.0534(11) Uani 1 1 d . . . . .
N14 N 0.5447(2) 0.2699(2) 0.30048(16) 0.0469(10) Uani 1 1 d . . . . .
N15 N 0.3614(2) 0.5657(2) 0.38444(16) 0.0498(10) Uani 1 1 d . . . . .
C1 C 0.5730(2) 0.5948(2) 0.10265(18) 0.0326(9) Uani 1 1 d . . . . .
C2 C 0.4524(2) 0.3984(2) 0.04216(18) 0.0336(9) Uani 1 1 d . . . . .
C3 C 0.5239(2) 0.4261(2) 0.03890(17) 0.0339(9) Uani 1 1 d . . . . .
N16 N 0.3559(2) 0.6780(3) 0.36288(17) 0.0574(11) Uani 1 1 d . . . . .
C4 C 0.4198(2) 0.4417(2) 0.04273(18) 0.0340(9) Uani 1 1 d . . . . .
C5 C 0.6006(2) 0.5535(2) 0.07566(18) 0.0346(10) Uani 1 1 d . . . . .
C6 C 0.6719(2) 0.5681(2) 0.09231(18) 0.0365(10) Uani 1 1 d . . . . .
C7 C 0.4946(2) 0.3291(2) 0.06029(19) 0.0375(10) Uani 1 1 d . . . . .
C8 C 0.4983(2) 0.5717(2) 0.08064(18) 0.0346(10) Uani 1 1 d . . . . .
C9 C 0.5217(2) 0.4170(2) 0.41258(19) 0.0424(11) Uani 1 1 d . . . . .
C10 C 0.3561(2) 0.4271(2) 0.05635(18) 0.0359(10) Uani 1 1 d . . . . .
C11 C 0.4709(2) 0.5057(2) 0.03398(18) 0.0346(10) Uani 1 1 d . . . . .
C241 C 0.4813(2) 0.6199(2) 0.11119(18) 0.0364(10) Uani 1 1 d . . . . .
H100 H 0.436814 0.620174 0.106516 0.044 Uiso 1 1 calc R U . . .
C12 C 0.4381(2) 0.2210(2) 0.0735(2) 0.0423(11) Uani 1 1 d . . . . .
C13 C 0.5460(2) 0.6708(2) 0.15233(19) 0.0392(10) Uani 1 1 d . . . . .
C238 C 0.7067(2) 0.5303(2) 0.06669(19) 0.0394(10) Uani 1 1 d . . . . .
H101 H 0.686549 0.491265 0.034936 0.047 Uiso 1 1 calc R U . . .
C243 C 0.3216(2) 0.4714(2) 0.06950(19) 0.0390(10) Uani 1 1 d . . . . .
H102 H 0.338048 0.516182 0.070208 0.047 Uiso 1 1 calc R U . . .
C239 C 0.5411(2) 0.4934(2) 0.03047(18) 0.0340(9) Uani 1 1 d . . . . .
C14 C 0.4993(2) 0.2754(2) 0.07481(19) 0.0413(11) Uani 1 1 d . . . . .
C242 C 0.5519(2) 0.3836(2) 0.05176(19) 0.0381(10) Uani 1 1 d . . . . .
H103 H 0.598176 0.388609 0.054505 0.046 Uiso 1 1 calc R U . . .
C15 C 0.6457(2) 0.4897(2) 0.44949(19) 0.0434(11) Uani 1 1 d . . . . .
C236 C 0.4533(2) 0.4149(2) 0.41323(18) 0.0398(11) Uani 1 1 d . . . . .
C16 C 0.2152(2) 0.1602(2) 0.0375(2) 0.0445(11) Uani 1 1 d . . . . .
C265 C 0.5703(2) 0.2753(2) 0.0923(2) 0.0402(11) Uani 1 1 d . . . . .
C237 C 0.5765(2) 0.4749(2) 0.45016(18) 0.0412(11) Uani 1 1 d . . . . .
C244 C 0.2613(2) 0.4358(2) 0.0805(2) 0.0446(11) Uani 1 1 d . . . . .
H104 H 0.228991 0.452030 0.091829 0.054 Uiso 1 1 calc R U . . .
C17 C 0.2556(2) 0.3686(2) 0.07179(19) 0.0394(10) Uani 1 1 d . . . . .
C18 C 0.1802(2) 0.0056(2) -0.0312(2) 0.0436(11) Uani 1 1 d . . . . .
H105 H 0.182287 0.025509 -0.059734 0.052 Uiso 1 1 calc R U . . .
C19 C 0.3273(2) 0.1496(2) 0.0536(2) 0.0443(11) Uani 1 1 d . . . . .
C20 C 0.6078(2) 0.3065(2) 0.1494(2) 0.0496(12) Uani 1 1 d . . . . .
C21 C 0.5612(2) 0.5840(2) 0.46732(18) 0.0409(11) Uani 1 1 d . . . . .
C22 C 0.6190(2) 0.7765(2) 0.2278(2) 0.0443(11) Uani 1 1 d . . . . .
C23 C 0.5463(2) 0.5209(2) 0.48116(18) 0.0409(11) Uani 1 1 d . . . . .
C24 C 0.4502(2) 0.3264(2) 0.3440(2) 0.0427(11) Uani 1 1 d . . . . .
C25 C 0.4380(3) 0.1594(2) 0.0781(2) 0.0496(12) Uani 1 1 d . . . . .
H106 H 0.477423 0.151367 0.088720 0.060 Uiso 1 1 calc R U . . .
C26 C 0.7064(2) 0.5518(2) 0.4827(2) 0.0443(11) Uani 1 1 d . . . . .
H107 H 0.707573 0.586167 0.513009 0.053 Uiso 1 1 calc R U . . .
C27 C 0.2136(3) 0.0460(2) 0.0250(2) 0.0501(12) Uani 1 1 d . . . . .
C28 C 0.7748(2) 0.5621(2) 0.0973(2) 0.0454(11) Uani 1 1 d . . . . .
H108 H 0.810833 0.549428 0.090006 0.055 Uiso 1 1 calc R U . . .
C29 C 0.7817(2) 0.6177(2) 0.1422(2) 0.0403(11) Uani 1 1 d . . . . .
C30 C 0.2532(2) 0.1215(2) 0.0385(2) 0.0468(12) Uani 1 1 d . . . . .
C31 C 0.7351(2) 0.4880(2) 0.4167(2) 0.0449(11) Uani 1 1 d . . . . .
C32 C 0.5527(2) 0.7292(2) 0.1917(2) 0.0426(11) Uani 1 1 d . . . . .
C33 C 0.8477(2) 0.7123(3) 0.2290(2) 0.0476(12) Uani 1 1 d . . . . .
C34 C 0.1439(2) -0.0640(2) -0.0459(2) 0.0496(12) Uani 1 1 d . . . . .
C35 C 0.1884(2) 0.2478(2) 0.0536(2) 0.0431(11) Uani 1 1 d . . . . .
C36 C 0.4375(2) 0.5253(3) 0.43331(18) 0.0429(11) Uani 1 1 d . . . . .
C37 C 0.1939(2) 0.3136(2) 0.0676(2) 0.0445(11) Uani 1 1 d . . . . .
C38 C 0.4962(2) 0.5843(3) 0.44231(19) 0.0446(11) Uani 1 1 d . . . . .
C39 C 0.4393(2) 0.7037(2) 0.22012(19) 0.0459(12) Uani 1 1 d . . . . .
C40 C 0.7612(2) 0.5506(3) 0.4614(2) 0.0497(12) Uani 1 1 d . . . . .
H1 H 0.807305 0.584300 0.473704 0.060 Uiso 1 1 calc R U . . .
C41 C 0.4614(2) 0.4787(2) 0.45569(18) 0.0417(11) Uani 1 1 d . . . . .
C42 C 0.4878(2) 0.7409(2) 0.19518(19) 0.0422(11) Uani 1 1 d . . . . .
C43 C 0.3720(2) 0.5146(3) 0.40179(19) 0.0455(12) Uani 1 1 d . . . . .
C44 C 0.3776(3) 0.7126(3) 0.2208(2) 0.0503(12) Uani 1 1 d . . . . .
H158 H 0.345395 0.687976 0.237679 0.060 Uiso 1 1 calc R U . . .
C45 C 0.6130(2) 0.6375(3) 0.4616(2) 0.0474(12) Uani 1 1 d . . . . .
H2 H 0.661437 0.650245 0.472847 0.057 Uiso 1 1 calc R U . . .
C46 C 0.7322(2) 0.8301(2) 0.2718(2) 0.0461(11) Uani 1 1 d . . . . .
C47 C 0.3626(3) 0.7572(3) 0.1971(2) 0.0558(14) Uani 1 1 d . . . . .
C48 C 0.4259(2) 0.2675(3) 0.2996(2) 0.0461(12) Uani 1 1 d . . . . .
C49 C 0.4079(2) 0.3573(3) 0.37001(19) 0.0465(12) Uani 1 1 d . . . . .
H3 H 0.358852 0.340845 0.359146 0.056 Uiso 1 1 calc R U . . .
C50 C 0.3082(2) 0.4544(3) 0.3832(2) 0.0522(13) Uani 1 1 d . . . . .
H4 H 0.302390 0.413932 0.389749 0.063 Uiso 1 1 calc R U . . .
C51 C 0.3691(3) 0.1145(2) 0.0640(2) 0.0497(12) Uani 1 1 d . . . . .
H109 H 0.352487 0.069084 0.061515 0.060 Uiso 1 1 calc R U . . .
C52 C 0.5784(2) 0.6712(3) 0.4346(2) 0.0455(11) Uani 1 1 d . . . . .
C53 C 0.4116(3) 0.7935(3) 0.1725(2) 0.0538(13) Uani 1 1 d . . . . .
H159 H 0.401732 0.822940 0.155833 0.065 Uiso 1 1 calc R U . . .
C54 C 0.2578(3) 0.4665(3) 0.3544(2) 0.0564(14) Uani 1 1 d . . . . .
H5 H 0.210898 0.435884 0.336856 0.068 Uiso 1 1 calc R U . . .
C55 C 0.1277(2) 0.3243(2) 0.0717(2) 0.0508(13) Uani 1 1 d . . . . .
C56 C 0.4748(2) 0.7875(2) 0.1717(2) 0.0484(12) Uani 1 1 d . . . . .
C57 C 0.6294(3) 0.8391(2) 0.2660(2) 0.0512(12) Uani 1 1 d . . . . .
H110 H 0.594642 0.854180 0.272077 0.061 Uiso 1 1 calc R U . . .
C58 C 0.6917(3) 0.2935(3) 0.3061(2) 0.0548(13) Uani 1 1 d . . . . .
C59 C 0.6896(2) 0.7497(3) 0.4237(2) 0.0498(12) Uani 1 1 d . . . . .
C60 C 0.7771(2) 0.4683(3) 0.3850(2) 0.0499(12) Uani 1 1 d . . . . .
C61 C 0.6991(2) 0.8731(2) 0.2921(2) 0.0508(12) Uani 1 1 d . . . . .
H111 H 0.721577 0.916573 0.318523 0.061 Uiso 1 1 calc R U . . .
C62 C 0.8434(2) 0.6589(3) 0.1860(2) 0.0460(11) Uani 1 1 d . . . . .
C63 C 0.3482(2) 0.2285(3) 0.2691(2) 0.0503(12) Uani 1 1 d . . . . .
C64 C 0.5743(3) 0.7595(3) 0.3994(2) 0.0500(12) Uani 1 1 d . . . . .
C65 C 0.8312(2) 0.7996(2) 0.2759(2) 0.0444(11) Uani 1 1 d . . . . .
C66 C 0.2900(2) 0.5352(3) 0.3561(2) 0.0533(13) Uani 1 1 d . . . . .
C67 C 0.1402(2) 0.1355(3) 0.0295(2) 0.0508(12) Uani 1 1 d . . . . .
H112 H 0.108167 0.090327 0.018971 0.061 Uiso 1 1 calc R U . . .
C68 C 0.8026(2) 0.8448(2) 0.2930(2) 0.0472(12) Uani 1 1 d . . . . .
C69 C 0.4718(3) 0.2405(3) 0.2801(2) 0.0490(12) Uani 1 1 d . . . . .
C70 C 0.8512(2) 0.9136(3) 0.3344(2) 0.0496(12) Uani 1 1 d . . . . .
C71 C 0.9046(3) 0.9547(3) 0.3161(2) 0.0541(13) Uani 1 1 d . . . . .
H160 H 0.909569 0.938417 0.279713 0.065 Uiso 1 1 calc R U . . .
C72 C 0.3204(3) 0.2437(3) 0.2226(2) 0.0525(13) Uani 1 1 d . . . . .
C73 C 0.6119(2) 0.7274(3) 0.4187(2) 0.0502(12) Uani 1 1 d . . . . .
C74 C 0.1246(2) 0.1885(3) 0.0397(2) 0.0507(12) Uani 1 1 d . . . . .
H113 H 0.079633 0.187076 0.038174 0.061 Uiso 1 1 calc R U . . .
C75 C 0.6748(3) 0.3082(3) 0.1651(2) 0.0571(14) Uani 1 1 d . . . . .
H114 H 0.700401 0.329191 0.203245 0.069 Uiso 1 1 calc R U . . .
C76 C 0.8443(3) 0.9368(3) 0.3879(2) 0.0550(13) Uani 1 1 d . . . . .
H161 H 0.808248 0.908777 0.399766 0.066 Uiso 1 1 calc R U . . .
C77 C 0.7390(3) 0.7900(3) 0.4758(2) 0.0569(13) Uani 1 1 d . . . . .
C78 C 0.1038(3) 0.3226(3) 0.1205(3) 0.0616(15) Uani 1 1 d . . . . .
C79 C 0.9109(3) 0.7556(3) 0.2752(2) 0.0573(14) Uani 1 1 d . . . . .
H115 H 0.950787 0.747574 0.284155 0.069 Uiso 1 1 calc R U . . .
C80 C 0.2842(3) 0.6367(3) 0.3438(2) 0.0592(15) Uani 1 1 d . . . . .
C81 C 0.9092(2) 0.6464(3) 0.1845(2) 0.0511(12) Uani 1 1 d . . . . .
C82 C 0.9515(3) 1.0207(3) 0.3519(2) 0.0609(14) Uani 1 1 d . . . . .
C83 C 0.5652(3) 0.2213(3) 0.2729(2) 0.0540(13) Uani 1 1 d . . . . .
C84 C 0.5575(3) 0.8462(3) 0.3832(2) 0.0592(14) Uani 1 1 d . . . . .
H6 H 0.564698 0.887988 0.378951 0.071 Uiso 1 1 calc R U . . .
C85 C 0.6071(3) 0.8237(3) 0.3924(2) 0.0549(13) Uani 1 1 d . . . . .
H7 H 0.654640 0.846005 0.393866 0.066 Uiso 1 1 calc R U . . .
C86 C 0.7547(3) 0.4022(3) 0.3495(2) 0.0500(12) Uani 1 1 d . . . . .
C87 C 0.1457(3) 0.5036(3) 0.2545(2) 0.0564(13) Uani 1 1 d . . . . .
C88 C 0.5996(2) 0.2476(2) 0.0517(2) 0.0500(12) Uani 1 1 d . . . . .
C89 C 0.8004(3) 0.3766(3) 0.3258(2) 0.0559(13) Uani 1 1 d . . . . .
H8 H 0.847406 0.401545 0.327234 0.067 Uiso 1 1 calc R U . . .
C90 C 0.6520(3) 0.1721(3) 0.2512(3) 0.0619(15) Uani 1 1 d . . . . .
C91 C 0.9131(3) 0.5898(3) 0.1933(2) 0.0551(13) Uani 1 1 d . . . . .
C92 C 1.0325(3) 0.6270(3) 0.1809(3) 0.0658(15) Uani 1 1 d . . . . .
C93 C 0.9011(2) 0.8092(3) 0.3026(2) 0.0532(13) Uani 1 1 d . . . . .
H116 H 0.933574 0.846164 0.333503 0.064 Uiso 1 1 calc R U . . .
C94 C 0.2527(3) 0.5691(3) 0.3377(2) 0.0549(14) Uani 1 1 d . . . . .
C95 C 0.8898(3) 1.0016(3) 0.4255(2) 0.0636(15) Uani 1 1 d . . . . .
C96 C 0.1047(3) -0.1095(3) -0.1081(3) 0.0616(14) Uani 1 1 d . . . . .
C97 C 0.6276(3) 0.1368(3) 0.1928(3) 0.0635(15) Uani 1 1 d . . . . .
H9 H 0.601002 0.150036 0.169184 0.076 Uiso 1 1 calc R U . . .
C98 C 0.9763(3) 0.5817(3) 0.1928(2) 0.0640(15) Uani 1 1 d . . . . .
H162 H 0.980049 0.544658 0.200827 0.077 Uiso 1 1 calc R U . . .
C99 C 0.9681(3) 0.6944(3) 0.1735(2) 0.0567(13) Uani 1 1 d . . . . .
C100 C 0.2929(3) 0.7384(4) 0.3435(2) 0.0672(16) Uani 1 1 d . . . . .
H10 H 0.282618 0.774346 0.340115 0.081 Uiso 1 1 calc R U . . .
C101 C 0.4916(3) 0.7948(3) 0.3812(2) 0.0544(13) Uani 1 1 d . . . . .
C102 C 0.7626(3) 0.3092(3) 0.3009(2) 0.0614(14) Uani 1 1 d . . . . .
H11 H 0.779338 0.278518 0.283520 0.074 Uiso 1 1 calc R U . . .
C103 C 0.3675(3) 0.2988(3) 0.2032(2) 0.0620(14) Uani 1 1 d . . . . .
H35 H 0.414406 0.319980 0.228347 0.093 Uiso 1 1 calc R U . . .
H36 H 0.369134 0.279304 0.165063 0.093 Uiso 1 1 calc R U . . .
H37 H 0.348906 0.331988 0.204004 0.093 Uiso 1 1 calc R U . . .
C104 C 0.4515(3) 0.6530(3) 0.2456(2) 0.0583(14) Uani 1 1 d . . . . .
H163 H 0.496043 0.652473 0.241998 0.087 Uiso 1 1 calc R U . . .
H164 H 0.452065 0.665720 0.285218 0.087 Uiso 1 1 calc R U . . .
H165 H 0.414075 0.608687 0.225678 0.087 Uiso 1 1 calc R U . . .
C105 C 0.8494(3) 0.5212(3) 0.3905(2) 0.0581(14) Uani 1 1 d . . . . .
C106 C 0.1740(3) 0.5313(3) 0.3126(2) 0.0612(15) Uani 1 1 d . . . . .
C107 C 0.0893(3) 0.3323(3) 0.0252(3) 0.0577(14) Uani 1 1 d . . . . .
C108 C 0.6666(3) 0.2504(3) 0.0705(3) 0.0583(14) Uani 1 1 d . . . . .
H117 H 0.686606 0.231529 0.044229 0.070 Uiso 1 1 calc R U . . .
C109 C 0.6355(3) 0.2308(3) 0.2785(3) 0.0617(15) Uani 1 1 d . . . . .
C110 C 0.3629(3) 0.7418(3) 0.3623(2) 0.0617(15) Uani 1 1 d . . . . .
C111 C 0.7106(3) 0.7222(3) 0.3766(2) 0.0519(13) Uani 1 1 d . . . . .
C112 C 0.4481(3) 0.1750(3) 0.2390(2) 0.0561(13) Uani 1 1 d . . . . .
H12 H 0.401671 0.146109 0.218060 0.067 Uiso 1 1 calc R U . . .
C113 C 0.5271(3) 0.8304(3) 0.1473(2) 0.0582(14) Uani 1 1 d . . . . .
H166 H 0.567527 0.819960 0.150115 0.087 Uiso 1 1 calc R U . . .
H167 H 0.505698 0.821390 0.107957 0.087 Uiso 1 1 calc R U . . .
H168 H 0.541814 0.877334 0.168188 0.087 Uiso 1 1 calc R U . . .
C114 C 0.3056(3) 0.1766(3) 0.2859(2) 0.0615(14) Uani 1 1 d . . . . .
C115 C 0.0715(3) 0.4684(3) 0.2326(3) 0.0674(16) Uani 1 1 d . . . . .
H38 H 0.051925 0.449267 0.193340 0.081 Uiso 1 1 calc R U . . .
C116 C 0.7040(3) 0.2805(3) 0.1275(3) 0.0605(15) Uani 1 1 d . . . . .
C117 C 1.0272(3) 0.6832(3) 0.1710(2) 0.0646(15) Uani 1 1 d . . . . .
H169 H 1.064662 0.713912 0.162476 0.078 Uiso 1 1 calc R U . . .
C118 C 0.6425(3) 0.0810(3) 0.1691(2) 0.0618(14) Uani 1 1 d . . . . .
C119 C 0.4266(3) 0.7976(3) 0.3720(2) 0.0594(14) Uani 1 1 d . . . . .
C120 C 0.9428(3) 1.0414(3) 0.4053(3) 0.0676(16) Uani 1 1 d . . . . .
H170 H 0.974031 1.084545 0.429677 0.081 Uiso 1 1 calc R U . . .
C121 C 0.2460(3) 0.6752(3) 0.3320(2) 0.0646(15) Uani 1 1 d . . . . .
H13 H 0.197186 0.658755 0.318623 0.078 Uiso 1 1 calc R U . . .
C122 C 0.5051(3) 0.1632(3) 0.2363(2) 0.0619(15) Uani 1 1 d . . . . .
H14 H 0.505352 0.123415 0.214189 0.074 Uiso 1 1 calc R U . . .
C123 C 0.6569(3) 0.6785(3) 0.3205(2) 0.0602(14) Uani 1 1 d . . . . .
H39 H 0.610967 0.675302 0.323700 0.090 Uiso 1 1 calc R U . . .
H40 H 0.669328 0.698283 0.291479 0.090 Uiso 1 1 calc R U . . .
H41 H 0.655975 0.634051 0.310309 0.090 Uiso 1 1 calc R U . . .
C124 C 0.7818(3) 0.7349(3) 0.3831(2) 0.0559(13) Uani 1 1 d . . . . .
H42 H 0.796009 0.717043 0.351832 0.067 Uiso 1 1 calc R U . . .
C125 C 0.6862(3) 0.0665(3) 0.2061(3) 0.0672(16) Uani 1 1 d . . . . .
H15 H 0.698395 0.031173 0.191252 0.081 Uiso 1 1 calc R U . . .
C126 C 0.6105(3) 0.0398(3) 0.1064(3) 0.0635(15) Uani 1 1 d . . . . .
C127 C 0.4772(4) 0.4886(3) 0.2014(2) 0.0695(17) Uani 1 1 d . . . . .
H209 H 0.448589 0.485692 0.167919 0.083 Uiso 1 1 calc R U . . .
C128 C 0.0003(3) 0.3338(3) 0.0742(4) 0.088(2) Uani 1 1 d . . . . .
C129 C 0.8529(3) 0.5355(3) 0.2052(3) 0.0674(16) Uani 1 1 d . . . . .
H254 H 0.816946 0.550970 0.211431 0.101 Uiso 1 1 calc R U . . .
H255 H 0.870960 0.526941 0.238633 0.101 Uiso 1 1 calc R U . . .
H256 H 0.833100 0.494515 0.173138 0.101 Uiso 1 1 calc R U . . .
C130 C 0.4484(3) 0.8956(3) 0.3334(3) 0.0661(16) Uani 1 1 d . . . . .
H43 H 0.464794 0.875601 0.304699 0.079 Uiso 1 1 calc R U . . .
C131 C 0.0276(3) 0.4619(4) 0.2689(3) 0.079(2) Uani 1 1 d . . . . .
C132 C 0.2118(3) 0.0159(3) 0.0673(3) 0.0791(19) Uani 1 1 d . . . . .
H118 H 0.234562 0.043034 0.105083 0.095 Uiso 1 1 calc R U . . .
C133 C 0.0263(3) 0.3365(3) 0.0279(3) 0.0734(17) Uani 1 1 d . . . . .
H119 H 0.000597 0.341207 -0.003027 0.088 Uiso 1 1 calc R U . . .
C134 C 0.8098(3) 0.8013(3) 0.4799(3) 0.0646(15) Uani 1 1 d . . . . .
H44 H 0.843578 0.828709 0.514355 0.078 Uiso 1 1 calc R U . . .
C135 C 0.9685(3) 0.7592(3) 0.1647(3) 0.0714(16) Uani 1 1 d . . . . .
H174 H 0.924314 0.761115 0.167485 0.107 Uiso 1 1 calc R U . . .
H175 H 1.006582 0.797693 0.193509 0.107 Uiso 1 1 calc R U . . .
H176 H 0.974992 0.759639 0.127670 0.107 Uiso 1 1 calc R U . . .
C136 C 0.4494(3) 0.4837(3) 0.2477(3) 0.0676(15) Uani 1 1 d . . . . .
C137 C 0.1429(3) -0.0920(3) -0.0024(3) 0.0708(17) Uani 1 1 d . . . . .
H120 H 0.118440 -0.138713 -0.011762 0.085 Uiso 1 1 calc R U . . .
C138 C 0.5768(3) 0.3363(3) 0.1932(2) 0.0674(16) Uani 1 1 d . . . . .
H121 H 0.610248 0.355498 0.230060 0.101 Uiso 1 1 calc R U . . .
H122 H 0.566345 0.370981 0.183512 0.101 Uiso 1 1 calc R U . . .
H123 H 0.534116 0.301325 0.194245 0.101 Uiso 1 1 calc R U . . .
C139 C 0.8839(3) 1.0286(3) 0.4870(3) 0.0758(18) Uani 1 1 d . . . . .
C140 C 0.6941(3) 0.1544(3) 0.2860(3) 0.0704(16) Uani 1 1 d . . . . .
H16 H 0.710279 0.178435 0.324950 0.085 Uiso 1 1 calc R U . . .
C141 C 0.1481(3) 0.5405(3) -0.0027(3) 0.0731(17) Uani 1 1 d . . . . .
C142 C 0.5602(3) 0.2146(3) -0.0104(2) 0.0676(15) Uani 1 1 d . . . . .
H124 H 0.515294 0.217122 -0.015924 0.101 Uiso 1 1 calc R U . . .
H125 H 0.587354 0.237550 -0.032646 0.101 Uiso 1 1 calc R U . . .
H126 H 0.552646 0.167907 -0.022354 0.101 Uiso 1 1 calc R U . . .
C143 C 0.2855(4) 0.6296(3) 0.0607(3) 0.0720(17) Uani 1 1 d . . . . .
H210 H 0.331275 0.659255 0.082492 0.086 Uiso 1 1 calc R U . . .
C144 C 0.7175(3) 0.8204(3) 0.5275(2) 0.0685(16) Uani 1 1 d . . . . .
H45 H 0.758569 0.846473 0.559318 0.103 Uiso 1 1 calc R U . . .
H46 H 0.696259 0.849276 0.518845 0.103 Uiso 1 1 calc R U . . .
H47 H 0.683997 0.784675 0.536902 0.103 Uiso 1 1 calc R U . . .
C145 C 0.8310(3) 0.7727(3) 0.4340(3) 0.0643(15) Uani 1 1 d . . . . .
C146 C 0.0400(4) 0.3275(3) 0.1202(4) 0.087(2) Uani 1 1 d . . . . .
H127 H 0.022992 0.326380 0.152359 0.105 Uiso 1 1 calc R U . . .
C147 C 0.4179(3) 0.9832(3) 0.3821(4) 0.089(3) Uani 1 1 d . . . . .
H48 H 0.415631 1.024609 0.385799 0.107 Uiso 1 1 calc R U . . .
C148 C 0.1936(4) 0.5808(3) -0.0274(3) 0.0736(17) Uani 1 1 d . . . . .
H211 H 0.177896 0.578665 -0.064842 0.088 Uiso 1 1 calc R U . . .
C149 C 1.0115(3) 1.0652(3) 0.3321(3) 0.0726(17) Uani 1 1 d . . . . .
C150 C 0.9094(3) 0.5267(3) 0.4255(3) 0.0752(18) Uani 1 1 d . . . . .
C151 C 0.2945(3) 0.7657(3) 0.1971(3) 0.0748(17) Uani 1 1 d . . . . .
H177 H 0.267013 0.737042 0.215781 0.112 Uiso 1 1 calc R U . . .
H178 H 0.305501 0.812142 0.217139 0.112 Uiso 1 1 calc R U . . .
H179 H 0.267938 0.753403 0.158505 0.112 Uiso 1 1 calc R U . . .
C152 C 0.3355(3) 0.1589(3) 0.3353(2) 0.0805(19) Uani 1 1 d . . . . .
H49 H 0.298624 0.121972 0.340827 0.121 Uiso 1 1 calc R U . . .
H50 H 0.372477 0.145772 0.327117 0.121 Uiso 1 1 calc R U . . .
H51 H 0.354389 0.197579 0.369381 0.121 Uiso 1 1 calc R U . . .
C153 C 0.4244(3) 0.8628(3) 0.3715(2) 0.0641(15) Uani 1 1 d . . . . .
C154 C 0.1923(3) 0.5103(3) 0.2135(2) 0.0628(15) Uani 1 1 d . . . . .
H52 H 0.163200 0.487911 0.174958 0.094 Uiso 1 1 calc R U . . .
H53 H 0.219131 0.557457 0.219049 0.094 Uiso 1 1 calc R U . . .
H54 H 0.224068 0.489920 0.220633 0.094 Uiso 1 1 calc R U . . .
C155 C 0.2498(3) 0.2054(3) 0.1932(2) 0.0663(16) Uani 1 1 d . . . . .
H55 H 0.231841 0.215422 0.162091 0.080 Uiso 1 1 calc R U . . .
C156 C 0.7129(3) 0.1026(3) 0.2652(3) 0.0703(17) Uani 1 1 d . . . . .
C157 C 0.8543(3) 0.5675(3) 0.3610(3) 0.0704(17) Uani 1 1 d . . . . .
C158 C 0.7827(4) -0.2201(4) 0.0921(3) 0.0804(19) Uani 1 1 d . . . . .
H180 H 0.806372 -0.246470 0.080135 0.097 Uiso 1 1 calc R U . . .
C159 C 0.8224(4) -0.1515(4) 0.1234(3) 0.085(2) Uani 1 1 d . . . . .
C160 C 0.1297(3) 0.5232(4) 0.3490(3) 0.083(2) Uani 1 1 d . . . . .
C161 C 0.2057(3) 0.1541(4) 0.2075(2) 0.0766(19) Uani 1 1 d . . . . .
C162 C 0.2336(3) 0.1397(3) 0.2543(3) 0.080(2) Uani 1 1 d . . . . .
H56 H 0.204171 0.104833 0.265067 0.096 Uiso 1 1 calc R U . . .
C163 C 0.5449(4) 0.4976(3) 0.2033(3) 0.0739(18) Uani 1 1 d . . . . .
H212 H 0.561873 0.500704 0.171354 0.089 Uiso 1 1 calc R U . . .
C164 C 0.5621(4) 0.4957(3) 0.2976(3) 0.0787(19) Uani 1 1 d . . . . .
H213 H 0.591054 0.496958 0.330011 0.094 Uiso 1 1 calc R U . . .
C165 C 0.5875(4) 0.5022(3) 0.2508(3) 0.0779(18) Uani 1 1 d . . . . .
H214 H 0.634274 0.509695 0.252155 0.094 Uiso 1 1 calc R U . . .
C166 C 0.1768(4) -0.0536(3) 0.0544(3) 0.081(2) Uani 1 1 d . . . . .
C167 C 0.2631(4) 0.6247(3) 0.0045(4) 0.086(2) Uani 1 1 d . . . . .
H215 H 0.294393 0.650587 -0.012241 0.103 Uiso 1 1 calc R U . . .
C168 C 0.7626(3) 0.0870(3) 0.3059(3) 0.081(2) Uani 1 1 d . . . . .
C169 C 0.0574(3) 0.4897(4) 0.3263(3) 0.090(2) Uani 1 1 d . . . . .
H57 H 0.028207 0.485969 0.350949 0.108 Uiso 1 1 calc R U . . .
C170 C 0.1736(4) 0.5464(4) 0.0522(3) 0.0768(17) Uani 1 1 d . . . . .
H216 H 0.144278 0.518735 0.068891 0.092 Uiso 1 1 calc R U . . .
C171 C 0.3604(3) 0.9770(4) 0.4692(4) 0.093(2) Uani 1 1 d . . . . .
C172 C 0.3979(3) 0.8911(4) 0.4143(3) 0.0784(19) Uani 1 1 d . . . . .
H58 H 0.383955 0.868570 0.439993 0.094 Uiso 1 1 calc R U . . .
C173 C 0.1166(4) 0.3360(4) -0.0262(3) 0.086(2) Uani 1 1 d . . . . .
H128 H 0.160913 0.332311 -0.020785 0.129 Uiso 1 1 calc R U . . .
H129 H 0.083013 0.299496 -0.059206 0.129 Uiso 1 1 calc R U . . .
H130 H 0.123421 0.378502 -0.031787 0.129 Uiso 1 1 calc R U . . .
C174 C 0.7116(4) -0.2495(4) 0.0785(3) 0.0782(18) Uani 1 1 d . . . . .
H181 H 0.686957 -0.295617 0.058365 0.094 Uiso 1 1 calc R U . . .
C175 C 0.4949(4) 0.4875(3) 0.2964(3) 0.0772(18) Uani 1 1 d . . . . .
H217 H 0.478577 0.484254 0.328577 0.093 Uiso 1 1 calc R U . . .
C176 C 0.3919(4) 0.9495(4) 0.4195(3) 0.090(2) Uani 1 1 d . . . . .
C177 C 0.9746(3) 0.5775(4) 0.4288(4) 0.100(3) Uani 1 1 d . . . . .
H59 H 1.015364 0.581914 0.452683 0.120 Uiso 1 1 calc R U . . .
C178 C 0.7852(5) -0.1146(4) 0.1418(3) 0.091(2) Uani 1 1 d . . . . .
H182 H 0.809761 -0.069186 0.164033 0.110 Uiso 1 1 calc R U . . .
C179 C 1.0990(3) 0.6157(4) 0.1780(3) 0.086(2) Uani 1 1 d . . . . .
H183 H 1.132365 0.652177 0.169242 0.129 Uiso 1 1 calc R U . . .
H184 H 1.119729 0.614100 0.214080 0.129 Uiso 1 1 calc R U . . .
H185 H 1.086936 0.573578 0.148704 0.129 Uiso 1 1 calc R U . . .
C180 C 0.2387(4) 0.5901(4) 0.0832(3) 0.0817(19) Uani 1 1 d . . . . .
H218 H 0.252545 0.593588 0.121248 0.098 Uiso 1 1 calc R U . . .
C181 C 0.7840(4) 0.0325(3) 0.2722(3) 0.085(2) Uani 1 1 d . . . . .
H17 H 0.806906 0.048215 0.244782 0.128 Uiso 1 1 calc R U . . .
H18 H 0.815842 0.024750 0.298283 0.128 Uiso 1 1 calc R U . . .
H19 H 0.742384 -0.008949 0.252858 0.128 Uiso 1 1 calc R U . . .
C182 C 0.1457(4) 0.3186(4) 0.1719(3) 0.0809(19) Uani 1 1 d . . . . .
H131 H 0.187981 0.315504 0.164410 0.121 Uiso 1 1 calc R U . . .
H132 H 0.158116 0.358407 0.203787 0.121 Uiso 1 1 calc R U . . .
H133 H 0.117827 0.279138 0.180445 0.121 Uiso 1 1 calc R U . . .
C183 C 0.6767(5) -0.2125(4) 0.0940(4) 0.097(2) Uani 1 1 d . . . . .
H186 H 0.627449 -0.231508 0.082705 0.116 Uiso 1 1 calc R U . . .
C184 C 0.8854(4) 1.0996(3) 0.4969(3) 0.087(2) Uani 1 1 d . . . . .
H187 H 0.927481 1.128605 0.489703 0.131 Uiso 1 1 calc R U . . .
H188 H 0.844497 1.096240 0.471464 0.131 Uiso 1 1 calc R U . . .
H189 H 0.885119 1.118171 0.535672 0.131 Uiso 1 1 calc R U . . .
C185 C 0.9076(3) 0.7832(4) 0.4414(3) 0.096(2) Uani 1 1 d . . . . .
H60 H 0.934288 0.811051 0.479934 0.145 Uiso 1 1 calc R U . . .
H61 H 0.909933 0.740136 0.433603 0.145 Uiso 1 1 calc R U . . .
H62 H 0.927070 0.805193 0.415468 0.145 Uiso 1 1 calc R U . . .
C186 C 0.9199(4) 0.6149(4) 0.3651(4) 0.094(2) Uani 1 1 d . . . . .
H63 H 0.923095 0.644366 0.344183 0.113 Uiso 1 1 calc R U . . .
C187 C 0.4480(4) 0.9588(3) 0.3380(3) 0.079(2) Uani 1 1 d . . . . .
C188 C 0.9804(4) 0.6209(4) 0.3982(5) 0.111(3) Uani 1 1 d . . . . .
C189 C 0.4762(4) 0.9976(3) 0.2983(3) 0.093(2) Uani 1 1 d . . . . .
C190 C 0.7881(4) 0.5647(4) 0.3257(3) 0.092(2) Uani 1 1 d . . . . .
H257 H 0.760690 0.576398 0.350336 0.138 Uiso 1 1 calc R U . . .
H258 H 0.760664 0.519670 0.299219 0.138 Uiso 1 1 calc R U . . .
H259 H 0.800932 0.596171 0.305022 0.138 Uiso 1 1 calc R U . . .
C191 C 0.7268(4) 0.0627(4) 0.3489(3) 0.090(2) Uani 1 1 d . . . . .
H20 H 0.757872 0.053122 0.373968 0.135 Uiso 1 1 calc R U . . .
H21 H 0.715481 0.097243 0.370669 0.135 Uiso 1 1 calc R U . . .
H22 H 0.684079 0.022310 0.329431 0.135 Uiso 1 1 calc R U . . .
C192 C -0.0523(3) 0.4220(4) 0.2445(4) 0.108(3) Uani 1 1 d . . . . .
H67 H -0.063422 0.406442 0.203559 0.162 Uiso 1 1 calc R U . . .
H68 H -0.068375 0.383798 0.257774 0.162 Uiso 1 1 calc R U . . .
H69 H -0.075292 0.450702 0.256813 0.162 Uiso 1 1 calc R U . . .
C193 C 0.9047(3) 0.4782(4) 0.4598(3) 0.101(3) Uani 1 1 d . . . . .
H70 H 0.951208 0.489175 0.481746 0.152 Uiso 1 1 calc R U . . .
H71 H 0.875237 0.482528 0.484974 0.152 Uiso 1 1 calc R U . . .
H72 H 0.884578 0.432473 0.434085 0.152 Uiso 1 1 calc R U . . .
C194 C 0.7767(3) 0.2799(4) 0.1466(3) 0.089(2) Uani 1 1 d . . . . .
H134 H 0.788529 0.258192 0.113996 0.134 Uiso 1 1 calc R U . . .
H135 H 0.812087 0.325609 0.164534 0.134 Uiso 1 1 calc R U . . .
H136 H 0.774650 0.255457 0.173322 0.134 Uiso 1 1 calc R U . . .
C195 C 0.5228(4) 1.0720(3) 0.3321(4) 0.120(3) Uani 1 1 d . . . . .
H73 H 0.540241 1.095740 0.306591 0.180 Uiso 1 1 calc R U . . .
H74 H 0.495606 1.091584 0.351529 0.180 Uiso 1 1 calc R U . . .
H75 H 0.562064 1.075500 0.359640 0.180 Uiso 1 1 calc R U . . .
C196 C 0.8184(4) 0.9808(4) 0.4978(3) 0.101(2) Uani 1 1 d . . . . .
H190 H 0.777009 0.976214 0.472153 0.152 Uiso 1 1 calc R U . . .
H191 H 0.819303 0.937250 0.491684 0.152 Uiso 1 1 calc R U . . .
H192 H 0.817384 0.998710 0.536506 0.152 Uiso 1 1 calc R U . . .
C197 C 0.6309(5) 0.0829(4) 0.0713(3) 0.130(4) Uani 1 1 d . . . . .
H23 H 0.610236 0.056101 0.031746 0.195 Uiso 1 1 calc R U . . .
H24 H 0.614448 0.117778 0.080413 0.195 Uiso 1 1 calc R U . . .
H25 H 0.681552 0.103241 0.078746 0.195 Uiso 1 1 calc R U . . .
C198 C 0.9458(5) 1.0315(4) 0.5305(3) 0.111(3) Uani 1 1 d . . . . .
H193 H 0.989904 1.061126 0.526337 0.167 Uiso 1 1 calc R U . . .
H194 H 0.942131 1.048293 0.568472 0.167 Uiso 1 1 calc R U . . .
H195 H 0.944049 0.986833 0.523650 0.167 Uiso 1 1 calc R U . . .
C199 C 0.8323(4) 0.1536(4) 0.3357(4) 0.118(3) Uani 1 1 d . . . . .
H26 H 0.854067 0.167918 0.307261 0.178 Uiso 1 1 calc R U . . .
H27 H 0.821141 0.188489 0.357074 0.178 Uiso 1 1 calc R U . . .
H28 H 0.864332 0.145180 0.361028 0.178 Uiso 1 1 calc R U . . .
C200 C 0.5219(4) 0.9699(4) 0.2657(3) 0.105(3) Uani 1 1 d . . . . .
H76 H 0.538439 0.995784 0.241352 0.157 Uiso 1 1 calc R U . . .
H77 H 0.561688 0.973444 0.292640 0.157 Uiso 1 1 calc R U . . .
H78 H 0.493847 0.923196 0.243052 0.157 Uiso 1 1 calc R U . . .
C201 C 0.6302(4) -0.0202(4) 0.0897(3) 0.100(2) Uani 1 1 d . . . . .
H29 H 0.616138 -0.047818 0.113408 0.149 Uiso 1 1 calc R U . . .
H30 H 0.606273 -0.046879 0.050421 0.149 Uiso 1 1 calc R U . . .
H31 H 0.680416 -0.003647 0.094782 0.149 Uiso 1 1 calc R U . . .
C202 C 0.3750(4) 0.4732(4) 0.2456(3) 0.091(2) Uani 1 1 d . . . . .
H219 H 0.366016 0.471107 0.281720 0.136 Uiso 1 1 calc R U . . .
H220 H 0.367691 0.510196 0.237651 0.136 Uiso 1 1 calc R U . . .
H221 H 0.343326 0.431493 0.216097 0.136 Uiso 1 1 calc R U . . .
C203 C 0.7160(6) -0.1428(5) 0.1285(5) 0.136(4) Uani 1 1 d . . . . .
H196 H 0.692003 -0.117229 0.141630 0.163 Uiso 1 1 calc R U . . .
C204 C 0.4030(4) 0.9851(4) 0.5247(4) 0.102(2) Uani 1 1 d . . . . .
H79 H 0.400893 0.941852 0.525345 0.153 Uiso 1 1 calc R U . . .
H80 H 0.451280 1.015818 0.530408 0.153 Uiso 1 1 calc R U . . .
H81 H 0.384634 1.002890 0.554590 0.153 Uiso 1 1 calc R U . . .
C205 C 0.8956(6) 0.6976(5) 0.6722(5) 0.135(4) Uani 1 1 d D . . . .
H225 H 0.924464 0.690629 0.699534 0.162 Uiso 1 1 calc R U . . .
C206 C 0.0749(4) 0.4922(4) -0.0361(4) 0.104(2) Uani 1 1 d . . . . .
H222 H 0.066948 0.495489 -0.073789 0.156 Uiso 1 1 calc R U . . .
H223 H 0.068573 0.446871 -0.038713 0.156 Uiso 1 1 calc R U . . .
H224 H 0.041893 0.502860 -0.017564 0.156 Uiso 1 1 calc R U . . .
C207 C 0.5295(4) 0.0070(4) 0.0970(3) 0.102(2) Uani 1 1 d . . . . .
H32 H 0.517775 -0.021038 0.120709 0.152 Uiso 1 1 calc R U . . .
H33 H 0.513123 0.041859 0.106904 0.152 Uiso 1 1 calc R U . . .
H34 H 0.507199 -0.020207 0.057688 0.152 Uiso 1 1 calc R U . . .
C208 C 0.1604(4) 0.5539(6) 0.4127(3) 0.134(4) Uani 1 1 d . . . . .
H82 H 0.211095 0.575236 0.421276 0.201 Uiso 1 1 calc R U . . .
H83 H 0.143373 0.587149 0.427523 0.201 Uiso 1 1 calc R U . . .
H84 H 0.146172 0.519030 0.429896 0.201 Uiso 1 1 calc R U . . .
C209 C 0.1283(3) 0.1135(5) 0.1765(3) 0.115(3) Uani 1 1 d . . . . .
H85 H 0.107150 0.079851 0.193647 0.173 Uiso 1 1 calc R U . . .
H86 H 0.104898 0.143097 0.178955 0.173 Uiso 1 1 calc R U . . .
H87 H 0.123761 0.091577 0.137134 0.173 Uiso 1 1 calc R U . . .
C210 C 0.0278(4) -0.1472(4) -0.1123(4) 0.114(3) Uani 1 1 d . . . . .
H137 H 0.023177 -0.170466 -0.084690 0.172 Uiso 1 1 calc R U . . .
H138 H 0.006723 -0.115745 -0.104928 0.172 Uiso 1 1 calc R U . . .
H139 H 0.004352 -0.179489 -0.149931 0.172 Uiso 1 1 calc R U . . .
C211 C 0.4121(4) 0.9913(4) 0.2536(4) 0.128(4) Uani 1 1 d . . . . .
H88 H 0.429170 1.015486 0.228288 0.192 Uiso 1 1 calc R U . . .
H89 H 0.383391 0.944324 0.232081 0.192 Uiso 1 1 calc R U . . .
H90 H 0.384360 1.010050 0.273071 0.192 Uiso 1 1 calc R U . . .
C213 C 0.3602(5) 1.0395(5) 0.4639(4) 0.139(4) Uani 1 1 d . . . . .
H91 H 0.331563 1.030625 0.426845 0.208 Uiso 1 1 calc R U . . .
H92 H 0.341088 1.058187 0.492759 0.208 Uiso 1 1 calc R U . . .
H93 H 0.407734 1.071115 0.468576 0.208 Uiso 1 1 calc R U . . .
C214 C -0.0696(4) 0.3389(4) 0.0760(5) 0.123(3) Uani 1 1 d . . . . .
H140 H -0.079633 0.336075 0.111669 0.184 Uiso 1 1 calc R U . . .
H141 H -0.066266 0.381350 0.072194 0.184 Uiso 1 1 calc R U . . .
H142 H -0.106935 0.302324 0.045144 0.184 Uiso 1 1 calc R U . . .
C216 C 0.9021(6) 0.6848(5) 0.6170(7) 0.154(5) Uani 1 1 d D . . . .
C217 C 0.8603(8) 0.6992(5) 0.5784(5) 0.178(8) Uani 1 1 d D . . . .
H226 H 0.865771 0.693791 0.541614 0.213 Uiso 1 1 calc R U . . .
C218 C 0.1155(6) -0.0726(4) -0.1494(3) 0.165(5) Uani 1 1 d . . . . .
H143 H 0.165315 -0.049203 -0.145283 0.248 Uiso 1 1 calc R U . . .
H144 H 0.092977 -0.104064 -0.187467 0.248 Uiso 1 1 calc R U . . .
H145 H 0.095348 -0.040320 -0.142464 0.248 Uiso 1 1 calc R U . . .
C219 C 0.8104(7) 0.7215(5) 0.5945(5) 0.189(9) Uani 1 1 d D . . . .
H227 H 0.781283 0.728830 0.567640 0.226 Uiso 1 1 calc R U . . .
C220 C 0.8033(4) 0.7330(5) 0.6493(6) 0.152(5) Uani 1 1 d D . . . .
H228 H 0.770470 0.748531 0.660411 0.183 Uiso 1 1 calc R U . . .
C222 C 0.1341(5) -0.1644(5) -0.1257(5) 0.137(4) Uani 1 1 d . . . . .
H146 H 0.128356 -0.190328 -0.100090 0.205 Uiso 1 1 calc R U . . .
H147 H 0.108377 -0.194061 -0.163990 0.205 Uiso 1 1 calc R U . . .
H148 H 0.183364 -0.142398 -0.123928 0.205 Uiso 1 1 calc R U . . .
C223 C 0.8467(6) 0.7205(5) 0.6867(4) 0.125(3) Uani 1 1 d D . . . .
H229 H 0.842854 0.727966 0.724027 0.150 Uiso 1 1 calc R U . . .
C224 C 0.9017(5) -0.1178(5) 0.1373(4) 0.131(3) Uani 1 1 d . . . . .
H197 H 0.918919 -0.150423 0.121376 0.197 Uiso 1 1 calc R U . . .
H198 H 0.915974 -0.081679 0.121391 0.197 Uiso 1 1 calc R U . . .
H199 H 0.920948 -0.099763 0.177975 0.197 Uiso 1 1 calc R U . . .
C225 C 0.2825(4) 0.9222(4) 0.4571(4) 0.119(3) Uani 1 1 d . . . . .
H94 H 0.283687 0.881055 0.460821 0.179 Uiso 1 1 calc R U . . .
H95 H 0.259905 0.938683 0.484099 0.179 Uiso 1 1 calc R U . . .
H96 H 0.256494 0.913472 0.419114 0.179 Uiso 1 1 calc R U . . .
C226 C 1.0811(4) 1.0770(6) 0.3658(4) 0.139(4) Uani 1 1 d . . . . .
H200 H 1.084027 1.092764 0.405755 0.209 Uiso 1 1 calc R U . . .
H201 H 1.086727 1.035486 0.356817 0.209 Uiso 1 1 calc R U . . .
H202 H 1.117837 1.110578 0.356826 0.209 Uiso 1 1 calc R U . . .
C229 C 1.0019(7) 1.0414(7) 0.2713(4) 0.278(12) Uani 1 1 d . . . . .
H203 H 1.003275 0.997881 0.260354 0.417 Uiso 1 1 calc R U . . .
H204 H 0.956925 1.037404 0.251895 0.417 Uiso 1 1 calc R U . . .
H205 H 1.039044 1.072975 0.260991 0.417 Uiso 1 1 calc R U . . .
C231 C 1.0523(5) 0.6737(5) 0.4002(6) 0.182(6) Uani 1 1 d . . . . .
H260 H 1.056392 0.670267 0.362064 0.272 Uiso 1 1 calc R U . . .
H261 H 1.089151 0.665982 0.420589 0.272 Uiso 1 1 calc R U . . .
H262 H 1.056482 0.718220 0.419396 0.272 Uiso 1 1 calc R U . . .
C232 C 0.1420(9) -0.1539(6) 0.0851(5) 0.242(9) Uani 1 1 d . . . . .
H149 H 0.098375 -0.169412 0.056726 0.363 Uiso 1 1 calc R U . . .
H150 H 0.171461 -0.173570 0.069444 0.363 Uiso 1 1 calc R U . . .
H151 H 0.132192 -0.167214 0.117642 0.363 Uiso 1 1 calc R U . . .
C234 C 0.2426(7) -0.0550(7) 0.1439(6) 0.224(8) Uani 1 1 d . . . . .
H152 H 0.262158 -0.006774 0.152314 0.336 Uiso 1 1 calc R U . . .
H153 H 0.235382 -0.065704 0.177966 0.336 Uiso 1 1 calc R U . . .
H154 H 0.274650 -0.072059 0.129768 0.336 Uiso 1 1 calc R U . . .
C235 C 1.0078(7) 1.1309(6) 0.3403(9) 0.244(10) Uani 1 1 d . . . . .
H206 H 1.013628 1.152174 0.380098 0.366 Uiso 1 1 calc R U . . .
H207 H 1.044775 1.159461 0.327731 0.366 Uiso 1 1 calc R U . . .
H208 H 0.962656 1.123889 0.318635 0.366 Uiso 1 1 calc R U . . .
C248 C 0.1837(7) 0.8283(8) 0.2902(5) 0.240(7) Uani 1 1 d DG U . . .
H230 H 0.195420 0.791683 0.280138 0.288 Uiso 1 1 calc R U . . .
C247 C 0.2240(6) 0.8890(10) 0.2829(5) 0.246(7) Uani 1 1 d G U . . .
H231 H 0.262630 0.893144 0.267887 0.295 Uiso 1 1 calc R U . . .
C250 C 0.2064(8) 0.9437(7) 0.2980(6) 0.281(8) Uani 1 1 d G U . . .
H232 H 0.233382 0.984367 0.293088 0.337 Uiso 1 1 calc R U . . .
C251 C 0.1486(9) 0.9376(7) 0.3204(6) 0.333(11) Uani 1 1 d G U . . .
H233 H 0.136923 0.974132 0.330538 0.400 Uiso 1 1 calc R U . . .
C246 C 0.1084(6) 0.8768(9) 0.3278(5) 0.236(7) Uani 1 1 d DG U . . .
H234 H 0.069712 0.872673 0.342789 0.284 Uiso 1 1 calc R U . . .
C252 C 0.1259(7) 0.8221(7) 0.3127(5) 0.250(7) Uani 1 1 d DG U . . .
C249 C 0.0929(14) 0.7618(12) 0.3302(12) 0.441(18) Uani 1 1 d D U . . .
H263 H 0.128675 0.748566 0.344357 0.661 Uiso 1 1 calc R U . . .
H264 H 0.058075 0.725243 0.297918 0.661 Uiso 1 1 calc R U . . .
H265 H 0.070656 0.772683 0.359673 0.661 Uiso 1 1 calc R U . . .
C254 C 0.1237(11) -0.0664(10) 0.1365(8) 0.293(12) Uani 1 1 d . . . . .
H155 H 0.141116 -0.017992 0.151182 0.440 Uiso 1 1 calc R U . . .
H156 H 0.076875 -0.085318 0.111633 0.440 Uiso 1 1 calc R U . . .
H157 H 0.122367 -0.084310 0.167567 0.440 Uiso 1 1 calc R U . . .
C255 C 0.9550(8) 0.6620(8) 0.6033(10) 0.41(2) Uani 1 1 d D . . . .
H238 H 0.977536 0.655097 0.635976 0.611 Uiso 1 1 calc R U . . .
H239 H 0.933033 0.620053 0.572046 0.611 Uiso 1 1 calc R U . . .
H240 H 0.989776 0.695468 0.592711 0.611 Uiso 1 1 calc R U . . .
Ni1 Ni 0.34062(3) 0.28694(3) 0.05607(2) 0.03733(16) Uani 1 1 d . . . . .
C262 C 0.6811(5) 0.3348(3) 0.4818(4) 0.167(4) Uani 1 1 d DG U . . .
H249 H 0.715732 0.378688 0.491098 0.200 Uiso 1 1 calc R U . . .
C257 C 0.6094(5) 0.3184(4) 0.4755(3) 0.129(3) Uani 1 1 d G U . . .
H250 H 0.592365 0.350872 0.474235 0.155 Uiso 1 1 calc R U . . .
C258 C 0.5632(4) 0.2533(4) 0.4711(3) 0.164(4) Uani 1 1 d G U . . .
H251 H 0.515263 0.242367 0.466944 0.196 Uiso 1 1 calc R U . . .
C261 C 0.5887(5) 0.2048(3) 0.4730(3) 0.183(5) Uani 1 1 d G U . . .
H252 H 0.557808 0.161258 0.470119 0.219 Uiso 1 1 calc R U . . .
C259 C 0.6604(5) 0.2212(4) 0.4793(4) 0.183(5) Uani 1 1 d DG U . . .
H253 H 0.681915 0.193707 0.487201 0.220 Uiso 1 1 calc R U . . .
C260 C 0.6942(7) 0.2799(6) 0.4728(3) 0.156(4) Uani 1 1 d DG U . . .
C264 C 0.7553(9) 0.2807(8) 0.4515(6) 0.372(15) Uani 1 1 d D U . . .
H246 H 0.779725 0.323843 0.446861 0.558 Uiso 1 1 calc R U . . .
H247 H 0.786804 0.273358 0.478274 0.558 Uiso 1 1 calc R U . . .
H248 H 0.739691 0.245449 0.415363 0.558 Uiso 1 1 calc R U . . .
Ni2 Ni 0.70067(3) 0.69706(3) 0.18701(2) 0.03920(17) Uani 1 1 d . . . . .
C212 C 0.1756(6) -0.0861(4) 0.1011(4) 0.132(4) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Ni3 N14 88.06(17) . . ?
N5 Ni3 N11 178.80(16) . . ?
N14 Ni3 N11 91.06(17) . . ?
N5 Ni3 N10 91.23(16) . . ?
N14 Ni3 N10 179.16(16) . . ?
N11 Ni3 N10 89.64(16) . . ?
N12 Ni4 N16 175.69(18) . . ?
N12 Ni4 N13 87.84(17) . . ?
N16 Ni4 N13 91.83(19) . . ?
N12 Ni4 N15 90.61(17) . . ?
N16 Ni4 N15 90.10(18) . . ?
N13 Ni4 N15 174.63(17) . . ?
C19 N1 C12 104.6(4) . . ?
C19 N1 Ni1 128.1(3) . . ?
C12 N1 Ni1 127.2(3) . . ?
C1 N2 C13 103.7(3) . . ?
C1 N2 Ni2 123.9(3) . . ?
C13 N2 Ni2 132.3(3) . . ?
C2 N3 C7 104.4(3) . . ?
C2 N3 Ni1 123.9(3) . . ?
C7 N3 Ni1 131.6(3) . . ?
C29 N4 C6 103.4(3) . . ?
C29 N4 Ni2 127.7(3) . . ?
C6 N4 Ni2 128.7(3) . . ?
C9 N5 C24 103.9(4) . . ?
C9 N5 Ni3 123.8(3) . . ?
C24 N5 Ni3 132.0(3) . . ?
C16 N6 C35 104.9(4) . . ?
C16 N6 Ni1 126.7(3) . . ?
C35 N6 Ni1 128.0(3) . . ?
C10 N7 C17 104.6(3) . . ?
C10 N7 Ni1 129.3(3) . . ?
C17 N7 Ni1 125.9(3) . . ?
C33 N8 C65 105.6(4) . . ?
C33 N8 Ni2 127.8(3) . . ?
C65 N8 Ni2 126.5(3) . . ?
C22 N26 C46 104.6(4) . . ?
C22 N26 Ni2 129.0(3) . . ?
C46 N26 Ni2 126.3(3) . . ?
C31 N10 C15 104.4(4) . . ?
C31 N10 Ni3 127.5(3) . . ?
C15 N10 Ni3 128.1(3) . . ?
C58 N11 C86 106.1(4) . . ?
C58 N11 Ni3 126.4(3) . . ?
C86 N11 Ni3 127.5(3) . . ?
C38 N12 C52 103.6(4) . . ?
C38 N12 Ni4 124.4(3) . . ?
C52 N12 Ni4 132.0(3) . . ?
C64 N13 C101 105.2(4) . . ?
C64 N13 Ni4 127.6(3) . . ?
C101 N13 Ni4 127.2(3) . . ?
C69 N14 C83 104.4(4) . . ?
C69 N14 Ni3 128.1(3) . . ?
C83 N14 Ni3 127.6(3) . . ?
C66 N15 C43 103.3(4) . . ?
C66 N15 Ni4 127.0(3) . . ?
C43 N15 Ni4 129.4(3) . . ?
N2 C1 C5 132.3(4) . . ?
N2 C1 C8 113.2(4) . . ?
C5 C1 C8 114.5(4) . . ?
N3 C2 C4 131.5(4) . . ?
N3 C2 C3 113.3(4) . . ?
C4 C2 C3 114.3(4) . . ?
C242 C3 C2 105.8(4) . . ?
C242 C3 C239 144.5(4) . . ?
C2 C3 C239 109.0(3) . . ?
C80 N16 C110 105.9(4) . . ?
C80 N16 Ni4 128.1(4) . . ?
C110 N16 Ni4 125.9(4) . . ?
C10 C4 C2 120.5(4) . . ?
C10 C4 C11 131.0(4) . . ?
C2 C4 C11 108.1(3) . . ?
C1 C5 C6 121.8(4) . . ?
C1 C5 C239 108.2(3) . . ?
C6 C5 C239 130.0(4) . . ?
N4 C6 C5 121.9(4) . . ?
N4 C6 C238 111.2(4) . . ?
C5 C6 C238 126.8(4) . . ?
C14 C7 N3 123.7(4) . . ?
C14 C7 C242 126.0(4) . . ?
N3 C7 C242 110.3(3) . . ?
C241 C8 C1 105.9(4) . . ?
C241 C8 C11 145.4(4) . . ?
C1 C8 C11 108.7(4) . . ?
N5 C9 C237 131.4(4) . . ?
N5 C9 C236 114.1(4) . . ?
C237 C9 C236 114.1(4) . . ?
C4 C10 N7 121.9(4) . . ?
C4 C10 C243 127.8(4) . . ?
N7 C10 C243 110.3(4) . . ?
C8 C11 C4 118.9(4) . . ?
C8 C11 C239 117.6(3) . 2_665 ?
C4 C11 C239 115.5(3) . 2_665 ?
C8 C11 C239 103.0(3) . . ?
C4 C11 C239 104.5(3) . . ?
C239 C11 C239 90.8(3) 2_665 . ?
C8 C241 C13 106.4(4) . . ?
N1 C12 C14 126.1(4) . . ?
N1 C12 C25 110.6(4) . . ?
C14 C12 C25 122.8(4) . . ?
C32 C13 N2 123.6(4) . . ?
C32 C13 C241 125.6(4) . . ?
N2 C13 C241 110.7(4) . . ?
C28 C238 C6 106.4(4) . . ?
C244 C243 C10 106.9(4) . . ?
C3 C239 C5 116.5(3) . . ?
C3 C239 C11 117.3(4) . 2_665 ?
C5 C239 C11 118.0(3) . 2_665 ?
C3 C239 C11 103.9(3) . . ?
C5 C239 C11 105.5(3) . . ?
C11 C239 C11 89.2(3) 2_665 . ?
C7 C14 C12 120.3(4) . . ?
C7 C14 C265 119.8(4) . . ?
C12 C14 C265 119.9(4) . . ?
C3 C242 C7 106.1(4) . . ?
C237 C15 N10 122.9(4) . . ?
C237 C15 C26 126.3(4) . . ?
N10 C15 C26 110.2(4) . . ?
C49 C236 C9 104.4(4) . . ?
C49 C236 C41 145.9(4) . . ?
C9 C236 C41 109.1(4) . . ?
N6 C16 C30 124.8(4) . . ?
N6 C16 C67 109.6(4) . . ?
C30 C16 C67 125.1(4) . . ?
C20 C265 C88 120.8(4) . . ?
C20 C265 C14 118.2(4) . . ?
C88 C265 C14 120.9(4) . . ?
C9 C237 C15 121.7(4) . . ?
C9 C237 C23 108.8(4) . . ?
C15 C237 C23 128.5(4) . . ?
C243 C244 C17 107.7(4) . . ?
N7 C17 C37 125.0(4) . . ?
N7 C17 C244 110.2(4) . . ?
C37 C17 C244 124.2(4) . . ?
C27 C18 C34 121.3(4) . . ?
N1 C19 C30 123.8(4) . . ?
N1 C19 C51 110.7(4) . . ?
C30 C19 C51 125.5(4) . . ?
C265 C20 C75 118.1(5) . . ?
C265 C20 C138 121.3(4) . . ?
C75 C20 C138 120.6(5) . . ?
C45 C21 C38 106.0(4) . . ?
C45 C21 C23 143.7(4) . . ?
C38 C21 C23 109.3(4) . . ?
N26 C22 C32 126.5(4) . . ?
N26 C22 C57 110.7(4) . . ?
C32 C22 C57 122.8(4) . . ?
C21 C23 C237 115.3(3) . . ?
C21 C23 C41 118.5(4) . 2_666 ?
C237 C23 C41 118.5(4) . 2_666 ?
C21 C23 C41 103.5(3) . . ?
C237 C23 C41 104.4(4) . . ?
C41 C23 C41 90.1(3) 2_666 . ?
C48 C24 N5 123.0(4) . . ?
C48 C24 C49 126.8(4) . . ?
N5 C24 C49 110.2(4) . . ?
C51 C25 C12 106.7(4) . . ?
C40 C26 C15 106.9(4) . . ?
C18 C27 C132 119.2(5) . . ?
C18 C27 C30 119.1(4) . . ?
C132 C27 C30 121.7(5) . . ?
C238 C28 C29 107.8(4) . . ?
N4 C29 C62 124.6(4) . . ?
N4 C29 C28 111.0(4) . . ?
C62 C29 C28 124.3(4) . . ?
C16 C30 C19 122.9(4) . . ?
C16 C30 C27 119.0(4) . . ?
C19 C30 C27 118.1(4) . . ?
N10 C31 C60 125.0(4) . . ?
N10 C31 C40 111.8(4) . . ?
C60 C31 C40 123.2(4) . . ?
C13 C32 C22 120.6(4) . . ?
C13 C32 C42 118.7(4) . . ?
C22 C32 C42 120.7(4) . . ?
C62 C33 N8 126.4(4) . . ?
C62 C33 C79 123.3(4) . . ?
N8 C33 C79 109.8(4) . . ?
C137 C34 C18 117.8(5) . . ?
C137 C34 C96 120.3(5) . . ?
C18 C34 C96 121.9(5) . . ?
C37 C35 N6 125.0(4) . . ?
C37 C35 C74 125.3(4) . . ?
N6 C35 C74 109.7(4) . . ?
C38 C36 C43 120.0(4) . . ?
C38 C36 C41 108.4(4) . . ?
C43 C36 C41 131.2(4) . . ?
C35 C37 C17 122.4(4) . . ?
C35 C37 C55 118.2(4) . . ?
C17 C37 C55 119.0(4) . . ?
N12 C38 C36 132.1(4) . . ?
N12 C38 C21 113.0(4) . . ?
C36 C38 C21 113.8(4) . . ?
C44 C39 C42 119.2(5) . . ?
C44 C39 C104 119.0(4) . . ?
C42 C39 C104 121.9(4) . . ?
C26 C40 C31 106.7(4) . . ?
C236 C41 C36 117.4(4) . . ?
C236 C41 C23 119.3(4) . 2_666 ?
C36 C41 C23 115.3(4) . 2_666 ?
C236 C41 C23 103.6(4) . . ?
C36 C41 C23 104.8(4) . . ?
C23 C41 C23 89.8(3) 2_666 . ?
C39 C42 C56 120.5(4) . . ?
C39 C42 C32 119.5(4) . . ?
C56 C42 C32 120.0(4) . . ?
C36 C43 N15 121.8(4) . . ?
C36 C43 C50 127.4(5) . . ?
N15 C43 C50 110.8(4) . . ?
C39 C44 C47 121.8(5) . . ?
C21 C45 C52 106.6(4) . . ?
C68 C46 N26 125.6(4) . . ?
C68 C46 C61 124.3(4) . . ?
N26 C46 C61 109.9(4) . . ?
C53 C47 C44 118.0(5) . . ?
C53 C47 C151 120.5(5) . . ?
C44 C47 C151 121.5(5) . . ?
C24 C48 C69 121.6(4) . . ?
C24 C48 C63 121.3(4) . . ?
C69 C48 C63 117.1(5) . . ?
C236 C49 C24 107.3(4) . . ?
C54 C50 C43 107.6(5) . . ?
C25 C51 C19 107.2(4) . . ?
C73 C52 N12 123.5(4) . . ?
C73 C52 C45 125.7(4) . . ?
N12 C52 C45 110.7(4) . . ?
C47 C53 C56 122.4(5) . . ?
C50 C54 C66 106.9(5) . . ?
C78 C55 C107 121.0(5) . . ?
C78 C55 C37 119.2(5) . . ?
C107 C55 C37 119.7(5) . . ?
C53 C56 C42 118.1(5) . . ?
C53 C56 C113 120.1(5) . . ?
C42 C56 C113 121.8(4) . . ?
C61 C57 C22 107.3(4) . . ?
N11 C58 C109 126.6(5) . . ?
N11 C58 C102 109.5(5) . . ?
C109 C58 C102 123.6(5) . . ?
C77 C59 C111 120.5(5) . . ?
C77 C59 C73 120.7(5) . . ?
C111 C59 C73 118.3(5) . . ?
C86 C60 C31 122.1(5) . . ?
C86 C60 C105 119.9(4) . . ?
C31 C60 C105 117.9(5) . . ?
C57 C61 C46 107.4(4) . . ?
C33 C62 C29 122.3(4) . . ?
C33 C62 C81 118.6(4) . . ?
C29 C62 C81 119.1(4) . . ?
C114 C63 C72 120.6(5) . . ?
C114 C63 C48 120.1(4) . . ?
C72 C63 C48 119.3(4) . . ?
C73 C64 N13 127.0(5) . . ?
C73 C64 C85 122.7(5) . . ?
N13 C64 C85 109.8(4) . . ?
C68 C65 N8 126.2(4) . . ?
C68 C65 C93 124.0(4) . . ?
N8 C65 C93 109.7(4) . . ?
C94 C66 N15 124.3(5) . . ?
C94 C66 C54 123.8(5) . . ?
N15 C66 C54 111.4(4) . . ?
C74 C67 C16 107.8(4) . . ?
C65 C68 C46 122.7(4) . . ?
C65 C68 C70 117.8(4) . . ?
C46 C68 C70 119.4(4) . . ?
N14 C69 C48 125.9(5) . . ?
N14 C69 C112 110.5(4) . . ?
C48 C69 C112 123.4(5) . . ?
C76 C70 C71 119.9(5) . . ?
C76 C70 C68 122.9(5) . . ?
C71 C70 C68 117.2(5) . . ?
C70 C71 C82 120.7(5) . . ?
C155 C72 C63 118.8(5) . . ?
C155 C72 C103 120.6(5) . . ?
C63 C72 C103 120.5(4) . . ?
C64 C73 C52 120.1(4) . . ?
C64 C73 C59 123.1(5) . . ?
C52 C73 C59 116.8(4) . . ?
C67 C74 C35 108.1(4) . . ?
C116 C75 C20 122.8(5) . . ?
C70 C76 C95 121.7(5) . . ?
C59 C77 C134 118.2(5) . . ?
C59 C77 C144 121.4(5) . . ?
C134 C77 C144 120.4(5) . . ?
C146 C78 C55 116.9(6) . . ?
C146 C78 C182 120.9(6) . . ?
C55 C78 C182 122.1(5) . . ?
C93 C79 C33 107.0(4) . . ?
C94 C80 N16 126.2(5) . . ?
C94 C80 C121 123.9(5) . . ?
N16 C80 C121 109.9(6) . . ?
C91 C81 C99 119.5(4) . . ?
C91 C81 C62 121.3(4) . . ?
C99 C81 C62 119.2(5) . . ?
C120 C82 C71 117.2(5) . . ?
C120 C82 C149 122.2(5) . . ?
C71 C82 C149 120.5(5) . . ?
N14 C83 C109 124.3(5) . . ?
N14 C83 C122 110.0(4) . . ?
C109 C83 C122 125.7(5) . . ?
C85 C84 C101 107.8(5) . . ?
C84 C85 C64 107.7(5) . . ?
N11 C86 C60 125.7(4) . . ?
N11 C86 C89 110.3(5) . . ?
C60 C86 C89 123.8(5) . . ?
C106 C87 C115 119.1(5) . . ?
C106 C87 C154 121.5(4) . . ?
C115 C87 C154 119.4(5) . . ?
C108 C88 C265 118.2(5) . . ?
C108 C88 C142 120.3(5) . . ?
C265 C88 C142 121.5(4) . . ?
C102 C89 C86 106.7(5) . . ?
C140 C90 C97 119.6(5) . . ?
C140 C90 C109 117.9(5) . . ?
C97 C90 C109 122.5(5) . . ?
C81 C91 C98 118.8(5) . . ?
C81 C91 C129 123.3(4) . . ?
C98 C91 C129 117.8(5) . . ?
C98 C92 C117 118.5(5) . . ?
C98 C92 C179 121.1(6) . . ?
C117 C92 C179 120.3(5) . . ?
C79 C93 C65 107.8(4) . . ?
C80 C94 C66 122.6(5) . . ?
C80 C94 C106 118.5(5) . . ?
C66 C94 C106 118.8(5) . . ?
C120 C95 C76 116.6(5) . . ?
C120 C95 C139 120.8(5) . . ?
C76 C95 C139 122.6(5) . . ?
C218 C96 C210 112.2(7) . . ?
C218 C96 C34 113.4(5) . . ?
C210 C96 C34 109.3(5) . . ?
C218 C96 C222 105.7(7) . . ?
C210 C96 C222 106.6(6) . . ?
C34 C96 C222 109.2(6) . . ?
C90 C97 C118 120.9(5) . . ?
C92 C98 C91 121.9(5) . . ?
C117 C99 C81 119.9(5) . . ?
C117 C99 C135 117.5(5) . . ?
C81 C99 C135 122.6(5) . . ?
C121 C100 C110 108.3(6) . . ?
C119 C101 N13 124.3(5) . . ?
C119 C101 C84 126.3(5) . . ?
N13 C101 C84 109.4(4) . . ?
C89 C102 C58 107.4(5) . . ?
C150 C105 C157 119.9(6) . . ?
C150 C105 C60 121.7(6) . . ?
C157 C105 C60 118.3(5) . . ?
C87 C106 C160 119.9(5) . . ?
C87 C106 C94 120.8(4) . . ?
C160 C106 C94 119.2(5) . . ?
C133 C107 C55 118.9(5) . . ?
C133 C107 C173 120.7(6) . . ?
C55 C107 C173 120.4(5) . . ?
C116 C108 C88 121.4(5) . . ?
C58 C109 C83 122.1(5) . . ?
C58 C109 C90 117.9(5) . . ?
C83 C109 C90 119.9(5) . . ?
N16 C110 C119 125.6(5) . . ?
N16 C110 C100 108.4(5) . . ?
C119 C110 C100 125.7(6) . . ?
C124 C111 C59 119.0(5) . . ?
C124 C111 C123 120.7(5) . . ?
C59 C111 C123 120.3(4) . . ?
C122 C112 C69 106.7(5) . . ?
C63 C114 C162 117.8(5) . . ?
C63 C114 C152 121.0(5) . . ?
C162 C114 C152 121.2(5) . . ?
C131 C115 C87 120.8(6) . . ?
C75 C116 C108 118.8(5) . . ?
C75 C116 C194 121.6(6) . . ?
C108 C116 C194 119.5(6) . . ?
C99 C117 C92 121.3(5) . . ?
C125 C118 C97 116.8(5) . . ?
C125 C118 C126 123.2(5) . . ?
C97 C118 C126 120.0(5) . . ?
C101 C119 C110 123.0(5) . . ?
C101 C119 C153 118.6(5) . . ?
C110 C119 C153 118.4(5) . . ?
C82 C120 C95 123.9(5) . . ?
C100 C121 C80 107.6(5) . . ?
C112 C122 C83 108.3(5) . . ?
C145 C124 C111 121.7(5) . . ?
C118 C125 C156 123.2(5) . . ?
C197 C126 C118 110.4(5) . . ?
C197 C126 C201 111.2(6) . . ?
C118 C126 C201 112.0(5) . . ?
C197 C126 C207 111.5(6) . . ?
C118 C126 C207 107.0(5) . . ?
C201 C126 C207 104.6(5) . . ?
C163 C127 C136 122.0(6) . . ?
C133 C128 C146 118.0(6) . . ?
C133 C128 C214 120.8(8) . . ?
C146 C128 C214 121.2(7) . . ?
C153 C130 C187 120.0(6) . . ?
C169 C131 C115 118.6(5) . . ?
C169 C131 C192 121.3(6) . . ?
C115 C131 C192 120.0(7) . . ?
C166 C132 C27 121.4(6) . . ?
C128 C133 C107 122.1(6) . . ?
C145 C134 C77 121.9(5) . . ?
C127 C136 C175 116.1(6) . . ?
C127 C136 C202 122.2(6) . . ?
C175 C136 C202 121.7(6) . . ?
C34 C137 C166 122.9(5) . . ?
C196 C139 C198 104.2(7) . . ?
C196 C139 C184 111.5(6) . . ?
C198 C139 C184 110.7(5) . . ?
C196 C139 C95 112.1(5) . . ?
C198 C139 C95 109.6(5) . . ?
C184 C139 C95 108.6(6) . . ?
C156 C140 C90 122.3(6) . . ?
C170 C141 C148 117.6(6) . . ?
C170 C141 C206 122.0(7) . . ?
C148 C141 C206 120.4(7) . . ?
C180 C143 C167 118.2(7) . . ?
C124 C145 C134 118.7(5) . . ?
C124 C145 C185 121.3(6) . . ?
C134 C145 C185 120.0(6) . . ?
C78 C146 C128 123.1(6) . . ?
C176 C147 C187 125.0(6) . . ?
C141 C148 C167 119.4(6) . . ?
C229 C149 C235 101.6(11) . . ?
C229 C149 C226 113.7(9) . . ?
C235 C149 C226 108.6(9) . . ?
C229 C149 C82 113.2(5) . . ?
C235 C149 C82 108.1(6) . . ?
C226 C149 C82 111.0(5) . . ?
C105 C150 C177 118.3(7) . . ?
C105 C150 C193 120.5(5) . . ?
C177 C150 C193 121.2(7) . . ?
C130 C153 C172 121.1(6) . . ?
C130 C153 C119 123.8(5) . . ?
C172 C153 C119 115.0(6) . . ?
C161 C155 C72 123.3(5) . . ?
C140 C156 C125 117.2(5) . . ?
C140 C156 C168 119.9(6) . . ?
C125 C156 C168 122.9(5) . . ?
C186 C157 C105 118.6(7) . . ?
C186 C157 C190 121.3(7) . . ?
C105 C157 C190 120.2(5) . . ?
C174 C158 C159 122.6(6) . . ?
C178 C159 C158 116.8(7) . . ?
C178 C159 C224 120.2(8) . . ?
C158 C159 C224 122.9(7) . . ?
C169 C160 C106 119.7(6) . . ?
C169 C160 C208 120.0(6) . . ?
C106 C160 C208 120.3(6) . . ?
C155 C161 C162 117.6(5) . . ?
C155 C161 C209 123.4(6) . . ?
C162 C161 C209 119.0(6) . . ?
C161 C162 C114 121.9(5) . . ?
C165 C163 C127 120.5(6) . . ?
C175 C164 C165 120.0(6) . . ?
C163 C165 C164 120.0(7) . . ?
C132 C166 C137 117.5(5) . . ?
C132 C166 C212 120.9(6) . . ?
C137 C166 C212 121.6(6) . . ?
C143 C167 C148 120.2(7) . . ?
C191 C168 C156 109.9(5) . . ?
C191 C168 C181 109.7(6) . . ?
C156 C168 C181 111.1(6) . . ?
C191 C168 C199 111.3(7) . . ?
C156 C168 C199 107.7(5) . . ?
C181 C168 C199 107.1(6) . . ?
C131 C169 C160 121.8(6) . . ?
C180 C170 C141 123.0(7) . . ?
C213 C171 C204 113.8(7) . . ?
C213 C171 C225 110.6(7) . . ?
C204 C171 C225 109.9(8) . . ?
C213 C171 C176 105.8(8) . . ?
C204 C171 C176 109.8(6) . . ?
C225 C171 C176 106.7(6) . . ?
C176 C172 C153 122.5(7) . . ?
C183 C174 C158 119.7(8) . . ?
C164 C175 C136 121.3(6) . . ?
C172 C176 C147 116.1(7) . . ?
C172 C176 C171 118.6(8) . . ?
C147 C176 C171 125.2(7) . . ?
C188 C177 C150 122.4(8) . . ?
C203 C178 C159 120.8(8) . . ?
C170 C180 C143 121.6(7) . . ?
C174 C183 C203 118.9(8) . . ?
C188 C186 C157 123.1(8) . . ?
C130 C187 C147 115.2(7) . . ?
C130 C187 C189 121.6(7) . . ?
C147 C187 C189 123.2(6) . . ?
C186 C188 C177 117.6(7) . . ?
C186 C188 C231 120.9(11) . . ?
C177 C188 C231 121.5(10) . . ?
C187 C189 C195 110.4(7) . . ?
C187 C189 C200 112.5(5) . . ?
C195 C189 C200 107.0(7) . . ?
C187 C189 C211 108.6(7) . . ?
C195 C189 C211 109.9(5) . . ?
C200 C189 C211 108.4(7) . . ?
C178 C203 C183 121.0(8) . . ?
C223 C205 C216 120.0(11) . . ?
C217 C216 C205 117.9(11) . . ?
C217 C216 C255 123.3(11) . . ?
C205 C216 C255 118.7(10) . . ?
C216 C217 C219 120.4(11) . . ?
C220 C219 C217 121.3(11) . . ?
C219 C220 C223 116.8(10) . . ?
C205 C223 C220 123.5(10) . . ?
C247 C248 C252 120.0 . . ?
C250 C247 C248 120.0 . . ?
C247 C250 C251 120.0 . . ?
C250 C251 C246 120.0 . . ?
C252 C246 C251 120.0 . . ?
C246 C252 C248 120.0 . . ?
C246 C252 C249 120.7(8) . . ?
C248 C252 C249 118.2(8) . . ?
N3 Ni1 N6 174.71(16) . . ?
N3 Ni1 N1 88.56(15) . . ?
N6 Ni1 N1 90.91(15) . . ?
N3 Ni1 N7 90.26(14) . . ?
N6 Ni1 N7 90.78(15) . . ?
N1 Ni1 N7 174.16(15) . . ?
C257 C262 C260 111.7(6) . . ?
C258 C257 C262 120.0 . . ?
C261 C258 C257 120.0 . . ?
C258 C261 C259 120.0 . . ?
C260 C259 C261 112.1(5) . . ?
C264 C260 C259 110.0(10) . . ?
C264 C260 C262 118.8(12) . . ?
C259 C260 C262 131.2(12) . . ?
N2 Ni2 N8 176.77(16) . . ?
N2 Ni2 N26 87.79(15) . . ?
N8 Ni2 N26 91.75(16) . . ?
N2 Ni2 N4 91.12(15) . . ?
N8 Ni2 N4 89.44(15) . . ?
N26 Ni2 N4 177.80(15) . . ?
C232 C212 C234 116.0(10) . . ?
C232 C212 C166 117.4(8) . . ?
C234 C212 C166 112.8(7) . . ?
C232 C212 C254 99.2(12) . . ?
C234 C212 C254 102.7(12) . . ?
C166 C212 C254 105.9(9) . . ?
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
Ni3 N5 1.915(4) . ?
Ni3 N14 1.926(4) . ?
Ni3 N11 1.936(4) . ?
Ni3 N10 1.971(4) . ?
Ni4 N12 1.888(4) . ?
Ni4 N16 1.913(4) . ?
Ni4 N13 1.939(4) . ?
Ni4 N15 1.966(4) . ?
N1 C19 1.371(6) . ?
N1 C12 1.389(6) . ?
N1 Ni1 1.929(4) . ?
N2 C1 1.347(5) . ?
N2 C13 1.397(5) . ?
N2 Ni2 1.914(3) . ?
N3 C2 1.346(5) . ?
N3 C7 1.387(5) . ?
N3 Ni1 1.895(3) . ?
N4 C29 1.381(5) . ?
N4 C6 1.387(6) . ?
N4 Ni2 1.981(4) . ?
N5 C9 1.352(6) . ?
N5 C24 1.376(6) . ?
N6 C16 1.382(6) . ?
N6 C35 1.395(6) . ?
N6 Ni1 1.914(3) . ?
N7 C10 1.383(5) . ?
N7 C17 1.385(5) . ?
N7 Ni1 1.970(4) . ?
N8 C33 1.377(6) . ?
N8 C65 1.382(6) . ?
N8 Ni2 1.934(4) . ?
N26 C22 1.386(6) . ?
N26 C46 1.387(6) . ?
N26 Ni2 1.940(4) . ?
N10 C31 1.371(6) . ?
N10 C15 1.378(6) . ?
N11 C58 1.361(6) . ?
N11 C86 1.375(6) . ?
N12 C38 1.351(6) . ?
N12 C52 1.389(6) . ?
N13 C64 1.383(6) . ?
N13 C101 1.386(6) . ?
N14 C69 1.381(6) . ?
N14 C83 1.384(6) . ?
N15 C66 1.387(6) . ?
N15 C43 1.401(6) . ?
C1 C5 1.363(6) . ?
C1 C8 1.432(6) . ?
C2 C4 1.380(6) . ?
C2 C3 1.426(6) . ?
C3 C242 1.367(6) . ?
C3 C239 1.496(6) . ?
N16 C80 1.381(7) . ?
N16 C110 1.390(7) . ?
C4 C10 1.374(6) . ?
C4 C11 1.534(6) . ?
C5 C6 1.388(6) . ?
C5 C239 1.502(6) . ?
C6 C238 1.413(6) . ?
C7 C14 1.375(6) . ?
C7 C242 1.455(6) . ?
C8 C241 1.358(6) . ?
C8 C11 1.488(6) . ?
C9 C237 1.371(6) . ?
C9 C236 1.426(6) . ?
C10 C243 1.437(6) . ?
C11 C239 1.604(6) 2_665 ?
C11 C239 1.613(6) . ?
C241 C13 1.443(6) . ?
C12 C14 1.401(6) . ?
C12 C25 1.415(6) . ?
C13 C32 1.378(7) . ?
C238 C28 1.343(6) . ?
C243 C244 1.338(6) . ?
C14 C265 1.495(6) . ?
C15 C237 1.374(6) . ?
C15 C26 1.439(6) . ?
C236 C49 1.361(7) . ?
C236 C41 1.493(7) . ?
C16 C30 1.383(7) . ?
C16 C67 1.433(6) . ?
C265 C20 1.389(7) . ?
C265 C88 1.400(7) . ?
C237 C23 1.520(7) . ?
C244 C17 1.427(6) . ?
C17 C37 1.392(6) . ?
C18 C27 1.381(7) . ?
C18 C34 1.383(6) . ?
C19 C30 1.401(6) . ?
C19 C51 1.417(7) . ?
C20 C75 1.392(7) . ?
C20 C138 1.500(8) . ?
C21 C45 1.350(6) . ?
C21 C38 1.425(6) . ?
C21 C23 1.473(7) . ?
C22 C32 1.398(6) . ?
C22 C57 1.410(7) . ?
C23 C41 1.612(6) 2_666 ?
C23 C41 1.619(6) . ?
C24 C48 1.364(7) . ?
C24 C49 1.451(7) . ?
C25 C51 1.357(6) . ?
C26 C40 1.347(6) . ?
C27 C132 1.389(7) . ?
C27 C30 1.508(6) . ?
C28 C29 1.403(7) . ?
C29 C62 1.394(6) . ?
C31 C60 1.388(7) . ?
C31 C40 1.417(7) . ?
C32 C42 1.495(6) . ?
C33 C62 1.364(7) . ?
C33 C79 1.448(7) . ?
C34 C137 1.385(8) . ?
C34 C96 1.540(8) . ?
C35 C37 1.389(7) . ?
C35 C74 1.420(6) . ?
C36 C38 1.378(7) . ?
C36 C43 1.389(6) . ?
C36 C41 1.502(6) . ?
C37 C55 1.512(6) . ?
C39 C44 1.388(6) . ?
C39 C42 1.396(7) . ?
C39 C104 1.516(7) . ?
C42 C56 1.408(7) . ?
C43 C50 1.420(7) . ?
C44 C47 1.390(7) . ?
C45 C52 1.439(7) . ?
C46 C68 1.384(6) . ?
C46 C61 1.425(7) . ?
C47 C53 1.387(7) . ?
C47 C151 1.515(7) . ?
C48 C69 1.403(7) . ?
C48 C63 1.508(6) . ?
C50 C54 1.344(7) . ?
C52 C73 1.386(7) . ?
C53 C56 1.390(7) . ?
C54 C66 1.425(8) . ?
C55 C78 1.393(7) . ?
C55 C107 1.406(7) . ?
C56 C113 1.489(7) . ?
C57 C61 1.345(7) . ?
C58 C109 1.383(7) . ?
C58 C102 1.438(7) . ?
C59 C77 1.389(7) . ?
C59 C111 1.404(7) . ?
C59 C73 1.498(7) . ?
C60 C86 1.388(7) . ?
C60 C105 1.508(7) . ?
C62 C81 1.517(6) . ?
C63 C114 1.387(7) . ?
C63 C72 1.400(7) . ?
C64 C73 1.364(7) . ?
C64 C85 1.420(7) . ?
C65 C68 1.375(7) . ?
C65 C93 1.438(6) . ?
C66 C94 1.385(7) . ?
C67 C74 1.324(7) . ?
C68 C70 1.497(7) . ?
C69 C112 1.426(7) . ?
C70 C76 1.365(7) . ?
C70 C71 1.386(7) . ?
C71 C82 1.408(7) . ?
C72 C155 1.385(7) . ?
C72 C103 1.510(7) . ?
C75 C116 1.348(8) . ?
C76 C95 1.398(7) . ?
C77 C134 1.400(7) . ?
C77 C144 1.522(8) . ?
C78 C146 1.386(8) . ?
C78 C182 1.493(9) . ?
C79 C93 1.335(7) . ?
C80 C94 1.371(8) . ?
C80 C121 1.432(8) . ?
C81 C91 1.371(7) . ?
C81 C99 1.428(7) . ?
C82 C120 1.367(8) . ?
C82 C149 1.530(8) . ?
C83 C109 1.397(7) . ?
C83 C122 1.414(7) . ?
C84 C85 1.332(7) . ?
C84 C101 1.426(8) . ?
C86 C89 1.421(7) . ?
C87 C106 1.373(8) . ?
C87 C115 1.411(7) . ?
C87 C154 1.518(7) . ?
C88 C108 1.394(7) . ?
C88 C142 1.503(8) . ?
C89 C102 1.346(8) . ?
C90 C140 1.383(8) . ?
C90 C97 1.392(8) . ?
C90 C109 1.512(7) . ?
C91 C98 1.409(7) . ?
C91 C129 1.528(8) . ?
C92 C98 1.375(8) . ?
C92 C117 1.384(8) . ?
C92 C179 1.523(8) . ?
C94 C106 1.502(7) . ?
C95 C120 1.396(8) . ?
C95 C139 1.553(9) . ?
C96 C218 1.471(10) . ?
C96 C210 1.497(9) . ?
C96 C222 1.573(10) . ?
C97 C118 1.415(7) . ?
C99 C117 1.365(7) . ?
C99 C135 1.521(8) . ?
C100 C121 1.324(8) . ?
C100 C110 1.447(7) . ?
C101 C119 1.381(7) . ?
C105 C150 1.375(8) . ?
C105 C157 1.402(8) . ?
C106 C160 1.392(8) . ?
C107 C133 1.375(7) . ?
C107 C173 1.494(8) . ?
C108 C116 1.384(8) . ?
C110 C119 1.395(8) . ?
C111 C124 1.395(7) . ?
C111 C123 1.502(7) . ?
C112 C122 1.329(7) . ?
C114 C162 1.417(8) . ?
C114 C152 1.513(8) . ?
C115 C131 1.384(8) . ?
C116 C194 1.542(7) . ?
C118 C125 1.392(8) . ?
C118 C126 1.513(8) . ?
C119 C153 1.484(8) . ?
C124 C145 1.360(8) . ?
C125 C156 1.411(8) . ?
C126 C197 1.455(9) . ?
C126 C201 1.533(9) . ?
C126 C207 1.542(9) . ?
C127 C163 1.356(9) . ?
C127 C136 1.385(8) . ?
C128 C133 1.360(10) . ?
C128 C146 1.391(10) . ?
C128 C214 1.524(9) . ?
C130 C153 1.388(9) . ?
C130 C187 1.398(8) . ?
C131 C169 1.364(10) . ?
C131 C192 1.523(8) . ?
C132 C166 1.384(8) . ?
C134 C145 1.392(8) . ?
C136 C175 1.400(9) . ?
C136 C202 1.487(9) . ?
C137 C166 1.386(9) . ?
C139 C196 1.513(9) . ?
C139 C198 1.542(10) . ?
C139 C184 1.540(9) . ?
C140 C156 1.373(8) . ?
C141 C170 1.355(9) . ?
C141 C148 1.391(9) . ?
C141 C206 1.480(9) . ?
C143 C180 1.358(9) . ?
C143 C167 1.381(10) . ?
C145 C185 1.516(8) . ?
C147 C176 1.395(11) . ?
C147 C187 1.444(10) . ?
C148 C167 1.401(9) . ?
C149 C229 1.441(11) . ?
C149 C235 1.470(11) . ?
C149 C226 1.475(9) . ?
C150 C177 1.399(9) . ?
C150 C193 1.528(10) . ?
C153 C172 1.403(8) . ?
C155 C161 1.353(8) . ?
C156 C168 1.547(8) . ?
C157 C186 1.368(9) . ?
C157 C190 1.507(9) . ?
C158 C174 1.344(9) . ?
C158 C159 1.396(10) . ?
C159 C178 1.380(10) . ?
C159 C224 1.501(11) . ?
C160 C169 1.378(9) . ?
C160 C208 1.506(10) . ?
C161 C162 1.398(9) . ?
C161 C209 1.508(8) . ?
C163 C165 1.339(9) . ?
C164 C175 1.353(9) . ?
C164 C165 1.376(9) . ?
C166 C212 1.524(10) . ?
C168 C191 1.499(10) . ?
C168 C181 1.554(9) . ?
C168 C199 1.568(9) . ?
C170 C180 1.328(9) . ?
C171 C213 1.442(11) . ?
C171 C204 1.471(11) . ?
C171 C225 1.575(10) . ?
C171 C176 1.592(11) . ?
C172 C176 1.340(10) . ?
C174 C183 1.326(9) . ?
C177 C188 1.363(12) . ?
C178 C203 1.308(12) . ?
C183 C203 1.431(12) . ?
C186 C188 1.357(12) . ?
C187 C189 1.525(11) . ?
C188 C231 1.524(10) . ?
C189 C195 1.524(9) . ?
C189 C200 1.549(11) . ?
C189 C211 1.560(9) . ?
C205 C223 1.365(8) . ?
C205 C216 1.380(8) . ?
C216 C217 1.388(8) . ?
C216 C255 1.438(13) . ?
C217 C219 1.391(8) . ?
C219 C220 1.375(8) . ?
C220 C223 1.364(8) . ?
C232 C212 1.342(12) . ?
C234 C212 1.445(13) . ?
C248 C247 1.3900 . ?
C248 C252 1.3900 . ?
C247 C250 1.3900 . ?
C250 C251 1.3900 . ?
C251 C246 1.3900 . ?
C246 C252 1.3900 . ?
C252 C249 1.482(16) . ?
C254 C212 1.619(19) . ?
C262 C257 1.3900 . ?
C262 C260 1.333(11) . ?
C257 C258 1.3900 . ?
C258 C261 1.3900 . ?
C261 C259 1.3900 . ?
C259 C260 1.311(14) . ?
C260 C264 1.461(15) . ?
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
N13 Ni4 N12 C38 173.7(4) . . . . ?
N15 Ni4 N12 C38 -11.4(4) . . . . ?
N13 Ni4 N12 C52 -6.8(4) . . . . ?
N15 Ni4 N12 C52 168.0(4) . . . . ?
C13 N2 C1 C5 178.5(4) . . . . ?
Ni2 N2 C1 C5 -3.0(6) . . . . ?
C13 N2 C1 C8 -0.9(4) . . . . ?
Ni2 N2 C1 C8 177.6(3) . . . . ?
C7 N3 C2 C4 -165.0(5) . . . . ?
Ni1 N3 C2 C4 16.2(7) . . . . ?
C7 N3 C2 C3 2.6(5) . . . . ?
Ni1 N3 C2 C3 -176.2(3) . . . . ?
N3 C2 C3 C242 -3.2(5) . . . . ?
C4 C2 C3 C242 166.6(4) . . . . ?
N3 C2 C3 C239 -176.0(3) . . . . ?
C4 C2 C3 C239 -6.2(5) . . . . ?
N3 C2 C4 C10 -0.3(7) . . . . ?
C3 C2 C4 C10 -167.8(4) . . . . ?
N3 C2 C4 C11 172.7(4) . . . . ?
C3 C2 C4 C11 5.1(5) . . . . ?
N2 C1 C5 C6 1.6(7) . . . . ?
C8 C1 C5 C6 -179.0(4) . . . . ?
N2 C1 C5 C239 179.1(4) . . . . ?
C8 C1 C5 C239 -1.5(5) . . . . ?
C29 N4 C6 C5 177.6(4) . . . . ?
Ni2 N4 C6 C5 -6.9(6) . . . . ?
C29 N4 C6 C238 -1.0(4) . . . . ?
Ni2 N4 C6 C238 174.5(3) . . . . ?
C1 C5 C6 N4 3.6(6) . . . . ?
C239 C5 C6 N4 -173.3(4) . . . . ?
C1 C5 C6 C238 -178.1(4) . . . . ?
C239 C5 C6 C238 5.1(7) . . . . ?
C2 N3 C7 C14 177.2(4) . . . . ?
Ni1 N3 C7 C14 -4.2(7) . . . . ?
C2 N3 C7 C242 -1.1(5) . . . . ?
Ni1 N3 C7 C242 177.6(3) . . . . ?
N2 C1 C8 C241 1.5(5) . . . . ?
C5 C1 C8 C241 -178.0(4) . . . . ?
N2 C1 C8 C11 -178.7(3) . . . . ?
C5 C1 C8 C11 1.8(5) . . . . ?
C24 N5 C9 C237 -173.4(5) . . . . ?
Ni3 N5 C9 C237 1.9(7) . . . . ?
C24 N5 C9 C236 -1.3(5) . . . . ?
Ni3 N5 C9 C236 173.9(3) . . . . ?
C2 C4 C10 N7 -11.6(6) . . . . ?
C11 C4 C10 N7 177.3(4) . . . . ?
C2 C4 C10 C243 167.2(4) . . . . ?
C11 C4 C10 C243 -3.9(8) . . . . ?
C17 N7 C10 C4 -177.3(4) . . . . ?
Ni1 N7 C10 C4 7.1(6) . . . . ?
C17 N7 C10 C243 3.7(5) . . . . ?
Ni1 N7 C10 C243 -171.9(3) . . . . ?
C241 C8 C11 C4 -66.8(8) . . . . ?
C1 C8 C11 C4 113.7(4) . . . . ?
C241 C8 C11 C239 80.5(7) . . . 2_665 ?
C1 C8 C11 C239 -99.0(4) . . . 2_665 ?
C241 C8 C11 C239 178.4(6) . . . . ?
C1 C8 C11 C239 -1.1(4) . . . . ?
C10 C4 C11 C8 55.8(6) . . . . ?
C2 C4 C11 C8 -116.1(4) . . . . ?
C10 C4 C11 C239 -92.1(5) . . . 2_665 ?
C2 C4 C11 C239 95.9(4) . . . 2_665 ?
C10 C4 C11 C239 169.9(4) . . . . ?
C2 C4 C11 C239 -2.1(4) . . . . ?
C1 C8 C241 C13 -1.4(4) . . . . ?
C11 C8 C241 C13 179.0(6) . . . . ?
C19 N1 C12 C14 168.5(5) . . . . ?
Ni1 N1 C12 C14 -14.1(7) . . . . ?
C19 N1 C12 C25 -3.4(5) . . . . ?
Ni1 N1 C12 C25 174.1(3) . . . . ?
C1 N2 C13 C32 -178.4(4) . . . . ?
Ni2 N2 C13 C32 3.3(7) . . . . ?
C1 N2 C13 C241 -0.1(4) . . . . ?
Ni2 N2 C13 C241 -178.4(3) . . . . ?
C8 C241 C13 C32 179.3(4) . . . . ?
C8 C241 C13 N2 1.0(5) . . . . ?
N4 C6 C238 C28 -0.3(5) . . . . ?
C5 C6 C238 C28 -178.8(4) . . . . ?
C4 C10 C243 C244 -179.5(4) . . . . ?
N7 C10 C243 C244 -0.6(5) . . . . ?
C242 C3 C239 C5 -48.1(8) . . . . ?
C2 C3 C239 C5 119.9(4) . . . . ?
C242 C3 C239 C11 99.8(7) . . . 2_665 ?
C2 C3 C239 C11 -92.1(4) . . . 2_665 ?
C242 C3 C239 C11 -163.7(6) . . . . ?
C2 C3 C239 C11 4.3(4) . . . . ?
C1 C5 C239 C3 -114.0(4) . . . . ?
C6 C5 C239 C3 63.2(6) . . . . ?
C1 C5 C239 C11 98.2(4) . . . 2_665 ?
C6 C5 C239 C11 -84.6(5) . . . 2_665 ?
C1 C5 C239 C11 0.7(4) . . . . ?
C6 C5 C239 C11 177.9(4) . . . . ?
C8 C11 C239 C3 123.5(3) . . . . ?
C4 C11 C239 C3 -1.4(4) . . . . ?
C239 C11 C239 C3 -118.0(4) 2_665 . . . ?
C8 C11 C239 C5 0.3(4) . . . . ?
C4 C11 C239 C5 -124.5(3) . . . . ?
C239 C11 C239 C5 118.9(4) 2_665 . . . ?
C8 C11 C239 C11 -118.6(4) . . . 2_665 ?
C4 C11 C239 C11 116.6(4) . . . 2_665 ?
C239 C11 C239 C11 0.000(1) 2_665 . . 2_665 ?
N3 C7 C14 C12 11.5(7) . . . . ?
C242 C7 C14 C12 -170.5(4) . . . . ?
N3 C7 C14 C265 -168.2(4) . . . . ?
C242 C7 C14 C265 9.7(7) . . . . ?
N1 C12 C14 C7 -2.4(7) . . . . ?
C25 C12 C14 C7 168.6(5) . . . . ?
N1 C12 C14 C265 177.4(4) . . . . ?
C25 C12 C14 C265 -11.7(7) . . . . ?
C2 C3 C242 C7 2.3(5) . . . . ?
C239 C3 C242 C7 170.5(6) . . . . ?
C14 C7 C242 C3 -179.0(4) . . . . ?
N3 C7 C242 C3 -0.8(5) . . . . ?
C31 N10 C15 C237 168.4(4) . . . . ?
Ni3 N10 C15 C237 -9.9(6) . . . . ?
C31 N10 C15 C26 -3.4(5) . . . . ?
Ni3 N10 C15 C26 178.3(3) . . . . ?
N5 C9 C236 C49 1.2(5) . . . . ?
C237 C9 C236 C49 174.6(4) . . . . ?
N5 C9 C236 C41 -172.9(3) . . . . ?
C237 C9 C236 C41 0.5(5) . . . . ?
C35 N6 C16 C30 -170.5(5) . . . . ?
Ni1 N6 C16 C30 16.9(7) . . . . ?
C35 N6 C16 C67 1.9(5) . . . . ?
Ni1 N6 C16 C67 -170.7(3) . . . . ?
C7 C14 C265 C20 87.3(5) . . . . ?
C12 C14 C265 C20 -92.4(5) . . . . ?
C7 C14 C265 C88 -89.4(6) . . . . ?
C12 C14 C265 C88 90.8(5) . . . . ?
N5 C9 C237 C15 1.4(8) . . . . ?
C236 C9 C237 C15 -170.6(4) . . . . ?
N5 C9 C237 C23 171.0(4) . . . . ?
C236 C9 C237 C23 -1.0(5) . . . . ?
N10 C15 C237 C9 2.7(7) . . . . ?
C26 C15 C237 C9 173.1(4) . . . . ?
N10 C15 C237 C23 -164.7(4) . . . . ?
C26 C15 C237 C23 5.8(8) . . . . ?
C10 C243 C244 C17 -2.8(5) . . . . ?
C10 N7 C17 C37 166.0(4) . . . . ?
Ni1 N7 C17 C37 -18.3(6) . . . . ?
C10 N7 C17 C244 -5.4(5) . . . . ?
Ni1 N7 C17 C244 170.3(3) . . . . ?
C243 C244 C17 N7 5.3(5) . . . . ?
C243 C244 C17 C37 -166.2(4) . . . . ?
C12 N1 C19 C30 -178.4(4) . . . . ?
Ni1 N1 C19 C30 4.2(7) . . . . ?
C12 N1 C19 C51 1.6(5) . . . . ?
Ni1 N1 C19 C51 -175.9(3) . . . . ?
C88 C265 C20 C75 -1.3(7) . . . . ?
C14 C265 C20 C75 -178.0(4) . . . . ?
C88 C265 C20 C138 -179.9(5) . . . . ?
C14 C265 C20 C138 3.4(6) . . . . ?
C46 N26 C22 C32 178.8(5) . . . . ?
Ni2 N26 C22 C32 2.0(7) . . . . ?
C46 N26 C22 C57 -0.5(5) . . . . ?
Ni2 N26 C22 C57 -177.3(3) . . . . ?
C45 C21 C23 C237 -48.1(8) . . . . ?
C38 C21 C23 C237 118.0(4) . . . . ?
C45 C21 C23 C41 100.9(7) . . . 2_666 ?
C38 C21 C23 C41 -93.0(4) . . . 2_666 ?
C45 C21 C23 C41 -161.4(6) . . . . ?
C38 C21 C23 C41 4.7(5) . . . . ?
C9 C237 C23 C21 -111.8(4) . . . . ?
C15 C237 C23 C21 56.9(6) . . . . ?
C9 C237 C23 C41 99.2(4) . . . 2_666 ?
C15 C237 C23 C41 -92.2(6) . . . 2_666 ?
C9 C237 C23 C41 1.0(5) . . . . ?
C15 C237 C23 C41 169.7(4) . . . . ?
C9 N5 C24 C48 -178.6(4) . . . . ?
Ni3 N5 C24 C48 6.7(7) . . . . ?
C9 N5 C24 C49 1.0(5) . . . . ?
Ni3 N5 C24 C49 -173.7(3) . . . . ?
N1 C12 C25 C51 4.1(6) . . . . ?
C14 C12 C25 C51 -168.1(5) . . . . ?
C237 C15 C26 C40 -168.4(5) . . . . ?
N10 C15 C26 C40 3.1(5) . . . . ?
C34 C18 C27 C132 1.4(8) . . . . ?
C34 C18 C27 C30 179.3(4) . . . . ?
C6 C238 C28 C29 1.5(5) . . . . ?
C6 N4 C29 C62 -174.1(4) . . . . ?
Ni2 N4 C29 C62 10.4(6) . . . . ?
C6 N4 C29 C28 2.0(5) . . . . ?
Ni2 N4 C29 C28 -173.6(3) . . . . ?
C238 C28 C29 N4 -2.3(5) . . . . ?
C238 C28 C29 C62 173.8(4) . . . . ?
N6 C16 C30 C19 -0.4(8) . . . . ?
C67 C16 C30 C19 -171.7(5) . . . . ?
N6 C16 C30 C27 177.2(4) . . . . ?
C67 C16 C30 C27 5.9(7) . . . . ?
N1 C19 C30 C16 -10.4(8) . . . . ?
C51 C19 C30 C16 169.7(5) . . . . ?
N1 C19 C30 C27 172.0(4) . . . . ?
C51 C19 C30 C27 -7.9(7) . . . . ?
C18 C27 C30 C16 76.4(6) . . . . ?
C132 C27 C30 C16 -105.8(6) . . . . ?
C18 C27 C30 C19 -105.9(5) . . . . ?
C132 C27 C30 C19 71.9(7) . . . . ?
C15 N10 C31 C60 -179.0(5) . . . . ?
Ni3 N10 C31 C60 -0.7(7) . . . . ?
C15 N10 C31 C40 2.6(5) . . . . ?
Ni3 N10 C31 C40 -179.1(3) . . . . ?
N2 C13 C32 C22 1.1(7) . . . . ?
C241 C13 C32 C22 -177.0(4) . . . . ?
N2 C13 C32 C42 -178.6(4) . . . . ?
C241 C13 C32 C42 3.3(7) . . . . ?
N26 C22 C32 C13 -3.7(8) . . . . ?
C57 C22 C32 C13 175.6(5) . . . . ?
N26 C22 C32 C42 176.1(4) . . . . ?
C57 C22 C32 C42 -4.7(7) . . . . ?
C65 N8 C33 C62 -167.7(5) . . . . ?
Ni2 N8 C33 C62 16.0(7) . . . . ?
C65 N8 C33 C79 4.3(5) . . . . ?
Ni2 N8 C33 C79 -171.9(3) . . . . ?
C27 C18 C34 C137 -1.0(7) . . . . ?
C27 C18 C34 C96 178.2(5) . . . . ?
C16 N6 C35 C37 178.2(4) . . . . ?
Ni1 N6 C35 C37 -9.3(7) . . . . ?
C16 N6 C35 C74 -1.4(5) . . . . ?
Ni1 N6 C35 C74 171.1(3) . . . . ?
N6 C35 C37 C17 11.0(7) . . . . ?
C74 C35 C37 C17 -169.5(5) . . . . ?
N6 C35 C37 C55 -176.2(4) . . . . ?
C74 C35 C37 C55 3.3(7) . . . . ?
N7 C17 C37 C35 3.4(7) . . . . ?
C244 C17 C37 C35 173.6(5) . . . . ?
N7 C17 C37 C55 -169.4(4) . . . . ?
C244 C17 C37 C55 0.8(7) . . . . ?
C52 N12 C38 C36 -164.6(5) . . . . ?
Ni4 N12 C38 C36 15.0(7) . . . . ?
C52 N12 C38 C21 2.6(5) . . . . ?
Ni4 N12 C38 C21 -177.8(3) . . . . ?
C43 C36 C38 N12 -3.4(8) . . . . ?
C41 C36 C38 N12 169.5(5) . . . . ?
C43 C36 C38 C21 -170.6(4) . . . . ?
C41 C36 C38 C21 2.3(5) . . . . ?
C45 C21 C38 N12 -2.9(6) . . . . ?
C23 C21 C38 N12 -174.4(4) . . . . ?
C45 C21 C38 C36 166.8(4) . . . . ?
C23 C21 C38 C36 -4.7(5) . . . . ?
C15 C26 C40 C31 -1.4(5) . . . . ?
N10 C31 C40 C26 -0.7(6) . . . . ?
C60 C31 C40 C26 -179.2(5) . . . . ?
C49 C236 C41 C36 -54.7(8) . . . . ?
C9 C236 C41 C36 115.1(4) . . . . ?
C49 C236 C41 C23 92.8(7) . . . 2_666 ?
C9 C236 C41 C23 -97.5(4) . . . 2_666 ?
C49 C236 C41 C23 -169.6(6) . . . . ?
C9 C236 C41 C23 0.2(4) . . . . ?
C38 C36 C41 C236 -113.5(4) . . . . ?
C43 C36 C41 C236 58.4(6) . . . . ?
C38 C36 C41 C23 97.7(4) . . . 2_666 ?
C43 C36 C41 C23 -90.4(6) . . . 2_666 ?
C38 C36 C41 C23 0.8(5) . . . . ?
C43 C36 C41 C23 172.6(4) . . . . ?
C21 C23 C41 C236 120.3(4) . . . . ?
C237 C23 C41 C236 -0.7(4) . . . . ?
C41 C23 C41 C236 -120.2(4) 2_666 . . . ?
C21 C23 C41 C36 -3.3(4) . . . . ?
C237 C23 C41 C36 -124.3(4) . . . . ?
C41 C23 C41 C36 116.2(4) 2_666 . . . ?
C21 C23 C41 C23 -119.5(4) . . . 2_666 ?
C237 C23 C41 C23 119.5(4) . . . 2_666 ?
C41 C23 C41 C23 0.001(2) 2_666 . . 2_666 ?
C44 C39 C42 C56 0.8(7) . . . . ?
C104 C39 C42 C56 179.8(4) . . . . ?
C44 C39 C42 C32 -177.0(4) . . . . ?
C104 C39 C42 C32 1.9(7) . . . . ?
C13 C32 C42 C39 74.0(6) . . . . ?
C22 C32 C42 C39 -105.8(5) . . . . ?
C13 C32 C42 C56 -103.9(5) . . . . ?
C22 C32 C42 C56 76.4(6) . . . . ?
C38 C36 C43 N15 -8.0(7) . . . . ?
C41 C36 C43 N15 -179.1(4) . . . . ?
C38 C36 C43 C50 172.6(5) . . . . ?
C41 C36 C43 C50 1.5(8) . . . . ?
C66 N15 C43 C36 -178.5(4) . . . . ?
Ni4 N15 C43 C36 7.4(6) . . . . ?
C66 N15 C43 C50 0.9(5) . . . . ?
Ni4 N15 C43 C50 -173.2(3) . . . . ?
C42 C39 C44 C47 0.4(7) . . . . ?
C104 C39 C44 C47 -178.6(5) . . . . ?
C38 C21 C45 C52 1.8(5) . . . . ?
C23 C21 C45 C52 168.2(6) . . . . ?
C22 N26 C46 C68 174.6(5) . . . . ?
Ni2 N26 C46 C68 -8.5(7) . . . . ?
C22 N26 C46 C61 -1.0(5) . . . . ?
Ni2 N26 C46 C61 175.9(3) . . . . ?
C39 C44 C47 C53 -0.3(7) . . . . ?
C39 C44 C47 C151 178.9(5) . . . . ?
N5 C24 C48 C69 3.3(7) . . . . ?
C49 C24 C48 C69 -176.3(4) . . . . ?
N5 C24 C48 C63 -176.7(4) . . . . ?
C49 C24 C48 C63 3.7(7) . . . . ?
C9 C236 C49 C24 -0.4(5) . . . . ?
C41 C236 C49 C24 169.6(6) . . . . ?
C48 C24 C49 C236 179.2(4) . . . . ?
N5 C24 C49 C236 -0.3(5) . . . . ?
C36 C43 C50 C54 179.6(5) . . . . ?
N15 C43 C50 C54 0.1(6) . . . . ?
C12 C25 C51 C19 -2.9(6) . . . . ?
N1 C19 C51 C25 0.9(6) . . . . ?
C30 C19 C51 C25 -179.2(5) . . . . ?
C38 N12 C52 C73 175.8(5) . . . . ?
Ni4 N12 C52 C73 -3.7(7) . . . . ?
C38 N12 C52 C45 -1.4(5) . . . . ?
Ni4 N12 C52 C45 179.0(3) . . . . ?
C21 C45 C52 C73 -177.4(5) . . . . ?
C21 C45 C52 N12 -0.3(6) . . . . ?
C44 C47 C53 C56 -1.1(7) . . . . ?
C151 C47 C53 C56 179.7(5) . . . . ?
C43 C50 C54 C66 -1.2(6) . . . . ?
C35 C37 C55 C78 78.7(6) . . . . ?
C17 C37 C55 C78 -108.2(5) . . . . ?
C35 C37 C55 C107 -98.1(6) . . . . ?
C17 C37 C55 C107 74.9(6) . . . . ?
C47 C53 C56 C42 2.3(7) . . . . ?
C47 C53 C56 C113 -176.9(5) . . . . ?
C39 C42 C56 C53 -2.1(7) . . . . ?
C32 C42 C56 C53 175.7(4) . . . . ?
C39 C42 C56 C113 177.0(5) . . . . ?
C32 C42 C56 C113 -5.1(7) . . . . ?
N26 C22 C57 C61 1.9(6) . . . . ?
C32 C22 C57 C61 -177.4(5) . . . . ?
C86 N11 C58 C109 -172.1(5) . . . . ?
Ni3 N11 C58 C109 5.5(8) . . . . ?
C86 N11 C58 C102 1.1(6) . . . . ?
Ni3 N11 C58 C102 178.7(3) . . . . ?
N10 C31 C60 C86 -11.4(8) . . . . ?
C40 C31 C60 C86 166.8(5) . . . . ?
N10 C31 C60 C105 169.4(5) . . . . ?
C40 C31 C60 C105 -12.4(7) . . . . ?
C22 C57 C61 C46 -2.5(6) . . . . ?
C68 C46 C61 C57 -173.4(5) . . . . ?
N26 C46 C61 C57 2.2(6) . . . . ?
N8 C33 C62 C29 -9.4(8) . . . . ?
C79 C33 C62 C29 179.5(5) . . . . ?
N8 C33 C62 C81 167.5(4) . . . . ?
C79 C33 C62 C81 -3.5(7) . . . . ?
N4 C29 C62 C33 -4.1(7) . . . . ?
C28 C29 C62 C33 -179.7(5) . . . . ?
N4 C29 C62 C81 178.9(4) . . . . ?
C28 C29 C62 C81 3.4(7) . . . . ?
C24 C48 C63 C114 -93.5(6) . . . . ?
C69 C48 C63 C114 86.5(6) . . . . ?
C24 C48 C63 C72 88.8(6) . . . . ?
C69 C48 C63 C72 -91.1(6) . . . . ?
C101 N13 C64 C73 169.6(5) . . . . ?
Ni4 N13 C64 C73 -11.8(8) . . . . ?
C101 N13 C64 C85 -2.7(5) . . . . ?
Ni4 N13 C64 C85 176.0(3) . . . . ?
C33 N8 C65 C68 177.8(5) . . . . ?
Ni2 N8 C65 C68 -5.8(7) . . . . ?
C33 N8 C65 C93 -3.0(5) . . . . ?
Ni2 N8 C65 C93 173.3(3) . . . . ?
C43 N15 C66 C94 171.0(5) . . . . ?
Ni4 N15 C66 C94 -14.7(7) . . . . ?
C43 N15 C66 C54 -1.7(5) . . . . ?
Ni4 N15 C66 C54 172.6(3) . . . . ?
C50 C54 C66 C94 -170.9(5) . . . . ?
C50 C54 C66 N15 1.8(6) . . . . ?
N6 C16 C67 C74 -1.8(6) . . . . ?
C30 C16 C67 C74 170.6(5) . . . . ?
N8 C65 C68 C46 8.3(8) . . . . ?
C93 C65 C68 C46 -170.7(5) . . . . ?
N8 C65 C68 C70 -168.9(4) . . . . ?
C93 C65 C68 C70 12.1(7) . . . . ?
N26 C46 C68 C65 -0.7(8) . . . . ?
C61 C46 C68 C65 174.3(5) . . . . ?
N26 C46 C68 C70 176.4(4) . . . . ?
C61 C46 C68 C70 -8.7(7) . . . . ?
C83 N14 C69 C48 173.5(5) . . . . ?
Ni3 N14 C69 C48 -6.7(7) . . . . ?
C83 N14 C69 C112 -1.7(5) . . . . ?
Ni3 N14 C69 C112 178.1(3) . . . . ?
C24 C48 C69 N14 -3.1(7) . . . . ?
C63 C48 C69 N14 176.9(4) . . . . ?
C24 C48 C69 C112 171.5(5) . . . . ?
C63 C48 C69 C112 -8.5(7) . . . . ?
C65 C68 C70 C76 -116.7(6) . . . . ?
C46 C68 C70 C76 66.1(7) . . . . ?
C65 C68 C70 C71 64.0(6) . . . . ?
C46 C68 C70 C71 -113.3(5) . . . . ?
C76 C70 C71 C82 -0.9(8) . . . . ?
C68 C70 C71 C82 178.5(5) . . . . ?
C114 C63 C72 C155 -0.8(8) . . . . ?
C48 C63 C72 C155 176.8(5) . . . . ?
C114 C63 C72 C103 -178.0(5) . . . . ?
C48 C63 C72 C103 -0.4(8) . . . . ?
N13 C64 C73 C52 -3.0(8) . . . . ?
C85 C64 C73 C52 168.4(5) . . . . ?
N13 C64 C73 C59 176.7(5) . . . . ?
C85 C64 C73 C59 -12.0(8) . . . . ?
N12 C52 C73 C64 10.7(8) . . . . ?
C45 C52 C73 C64 -172.4(5) . . . . ?
N12 C52 C73 C59 -169.0(4) . . . . ?
C45 C52 C73 C59 7.9(7) . . . . ?
C77 C59 C73 C64 98.0(6) . . . . ?
C111 C59 C73 C64 -89.9(6) . . . . ?
C77 C59 C73 C52 -82.3(6) . . . . ?
C111 C59 C73 C52 89.8(6) . . . . ?
C16 C67 C74 C35 0.9(6) . . . . ?
C37 C35 C74 C67 -179.3(5) . . . . ?
N6 C35 C74 C67 0.3(6) . . . . ?
C265 C20 C75 C116 -0.4(7) . . . . ?
C138 C20 C75 C116 178.2(5) . . . . ?
C71 C70 C76 C95 0.1(8) . . . . ?
C68 C70 C76 C95 -179.2(5) . . . . ?
C111 C59 C77 C134 -0.9(7) . . . . ?
C73 C59 C77 C134 171.0(5) . . . . ?
C111 C59 C77 C144 180.0(5) . . . . ?
C73 C59 C77 C144 -8.1(8) . . . . ?
C107 C55 C78 C146 1.7(8) . . . . ?
C37 C55 C78 C146 -175.1(5) . . . . ?
C107 C55 C78 C182 -176.1(5) . . . . ?
C37 C55 C78 C182 7.1(8) . . . . ?
C62 C33 C79 C93 168.2(5) . . . . ?
N8 C33 C79 C93 -4.1(6) . . . . ?
C110 N16 C80 C94 -179.7(5) . . . . ?
Ni4 N16 C80 C94 -4.4(8) . . . . ?
C110 N16 C80 C121 -0.8(6) . . . . ?
Ni4 N16 C80 C121 174.5(3) . . . . ?
C33 C62 C81 C91 113.1(6) . . . . ?
C29 C62 C81 C91 -69.8(7) . . . . ?
C33 C62 C81 C99 -67.1(6) . . . . ?
C29 C62 C81 C99 110.0(5) . . . . ?
C70 C71 C82 C120 1.5(8) . . . . ?
C70 C71 C82 C149 178.5(5) . . . . ?
C69 N14 C83 C109 176.6(5) . . . . ?
Ni3 N14 C83 C109 -3.2(7) . . . . ?
C69 N14 C83 C122 -0.2(5) . . . . ?
Ni3 N14 C83 C122 -179.9(4) . . . . ?
C101 C84 C85 C64 -3.2(6) . . . . ?
C73 C64 C85 C84 -168.9(5) . . . . ?
N13 C64 C85 C84 3.8(6) . . . . ?
C58 N11 C86 C60 -173.3(5) . . . . ?
Ni3 N11 C86 C60 9.1(7) . . . . ?
C58 N11 C86 C89 1.1(6) . . . . ?
Ni3 N11 C86 C89 -176.5(3) . . . . ?
C31 C60 C86 N11 7.2(8) . . . . ?
C105 C60 C86 N11 -173.6(5) . . . . ?
C31 C60 C86 C89 -166.4(5) . . . . ?
C105 C60 C86 C89 12.7(8) . . . . ?
C20 C265 C88 C108 2.0(7) . . . . ?
C14 C265 C88 C108 178.7(4) . . . . ?
C20 C265 C88 C142 -179.1(5) . . . . ?
C14 C265 C88 C142 -2.5(7) . . . . ?
N11 C86 C89 C102 -3.0(6) . . . . ?
C60 C86 C89 C102 171.5(5) . . . . ?
C99 C81 C91 C98 1.8(8) . . . . ?
C62 C81 C91 C98 -178.4(5) . . . . ?
C99 C81 C91 C129 -179.9(5) . . . . ?
C62 C81 C91 C129 -0.1(8) . . . . ?
C33 C79 C93 C65 2.1(6) . . . . ?
C68 C65 C93 C79 179.7(5) . . . . ?
N8 C65 C93 C79 0.5(6) . . . . ?
N16 C80 C94 C66 6.9(8) . . . . ?
C121 C80 C94 C66 -171.9(5) . . . . ?
N16 C80 C94 C106 -175.9(5) . . . . ?
C121 C80 C94 C106 5.3(8) . . . . ?
N15 C66 C94 C80 3.0(8) . . . . ?
C54 C66 C94 C80 174.8(5) . . . . ?
N15 C66 C94 C106 -174.1(5) . . . . ?
C54 C66 C94 C106 -2.3(8) . . . . ?
C70 C76 C95 C120 0.1(8) . . . . ?
C70 C76 C95 C139 -178.7(6) . . . . ?
C137 C34 C96 C218 -175.5(7) . . . . ?
C18 C34 C96 C218 5.3(9) . . . . ?
C137 C34 C96 C210 58.4(7) . . . . ?
C18 C34 C96 C210 -120.8(6) . . . . ?
C137 C34 C96 C222 -58.0(7) . . . . ?
C18 C34 C96 C222 122.9(6) . . . . ?
C140 C90 C97 C118 2.8(9) . . . . ?
C109 C90 C97 C118 -178.3(5) . . . . ?
C117 C92 C98 C91 2.2(9) . . . . ?
C179 C92 C98 C91 -177.2(6) . . . . ?
C81 C91 C98 C92 -3.4(8) . . . . ?
C129 C91 C98 C92 178.1(5) . . . . ?
C91 C81 C99 C117 1.0(8) . . . . ?
C62 C81 C99 C117 -178.8(5) . . . . ?
C91 C81 C99 C135 -178.5(5) . . . . ?
C62 C81 C99 C135 1.7(8) . . . . ?
C64 N13 C101 C119 -178.4(5) . . . . ?
Ni4 N13 C101 C119 3.0(7) . . . . ?
C64 N13 C101 C84 0.7(5) . . . . ?
Ni4 N13 C101 C84 -177.9(3) . . . . ?
C85 C84 C101 C119 -179.3(5) . . . . ?
C85 C84 C101 N13 1.6(6) . . . . ?
C86 C89 C102 C58 3.5(6) . . . . ?
N11 C58 C102 C89 -3.0(6) . . . . ?
C109 C58 C102 C89 170.5(5) . . . . ?
C86 C60 C105 C150 -80.6(7) . . . . ?
C31 C60 C105 C150 98.6(6) . . . . ?
C86 C60 C105 C157 102.4(6) . . . . ?
C31 C60 C105 C157 -78.4(6) . . . . ?
C115 C87 C106 C160 1.2(9) . . . . ?
C154 C87 C106 C160 -179.0(6) . . . . ?
C115 C87 C106 C94 179.9(5) . . . . ?
C154 C87 C106 C94 -0.3(9) . . . . ?
C80 C94 C106 C87 85.6(7) . . . . ?
C66 C94 C106 C87 -97.1(6) . . . . ?
C80 C94 C106 C160 -95.7(7) . . . . ?
C66 C94 C106 C160 81.6(7) . . . . ?
C78 C55 C107 C133 -2.0(8) . . . . ?
C37 C55 C107 C133 174.8(5) . . . . ?
C78 C55 C107 C173 178.3(6) . . . . ?
C37 C55 C107 C173 -4.9(8) . . . . ?
C265 C88 C108 C116 -1.1(7) . . . . ?
C142 C88 C108 C116 -180.0(5) . . . . ?
N11 C58 C109 C83 8.2(9) . . . . ?
C102 C58 C109 C83 -164.1(5) . . . . ?
N11 C58 C109 C90 -174.9(5) . . . . ?
C102 C58 C109 C90 12.8(8) . . . . ?
N14 C83 C109 C58 -9.4(9) . . . . ?
C122 C83 C109 C58 166.8(6) . . . . ?
N14 C83 C109 C90 173.8(5) . . . . ?
C122 C83 C109 C90 -10.0(9) . . . . ?
C140 C90 C109 C58 59.9(8) . . . . ?
C97 C90 C109 C58 -118.9(6) . . . . ?
C140 C90 C109 C83 -123.1(6) . . . . ?
C97 C90 C109 C83 58.1(8) . . . . ?
C80 N16 C110 C119 -172.2(5) . . . . ?
Ni4 N16 C110 C119 12.3(8) . . . . ?
C80 N16 C110 C100 1.3(6) . . . . ?
Ni4 N16 C110 C100 -174.1(3) . . . . ?
C121 C100 C110 N16 -1.5(6) . . . . ?
C121 C100 C110 C119 172.1(5) . . . . ?
C77 C59 C111 C124 1.1(7) . . . . ?
C73 C59 C111 C124 -171.0(5) . . . . ?
C77 C59 C111 C123 179.8(5) . . . . ?
C73 C59 C111 C123 7.6(7) . . . . ?
N14 C69 C112 C122 2.9(6) . . . . ?
C48 C69 C112 C122 -172.4(5) . . . . ?
C72 C63 C114 C162 0.3(8) . . . . ?
C48 C63 C114 C162 -177.3(5) . . . . ?
C72 C63 C114 C152 178.7(6) . . . . ?
C48 C63 C114 C152 1.0(8) . . . . ?
C106 C87 C115 C131 0.4(9) . . . . ?
C154 C87 C115 C131 -179.4(6) . . . . ?
C20 C75 C116 C108 1.3(8) . . . . ?
C20 C75 C116 C194 -176.9(5) . . . . ?
C88 C108 C116 C75 -0.5(8) . . . . ?
C88 C108 C116 C194 177.7(5) . . . . ?
C81 C99 C117 C92 -2.3(8) . . . . ?
C135 C99 C117 C92 177.2(5) . . . . ?
C98 C92 C117 C99 0.7(9) . . . . ?
C179 C92 C117 C99 -179.9(6) . . . . ?
C90 C97 C118 C125 -3.9(8) . . . . ?
C90 C97 C118 C126 175.0(5) . . . . ?
N13 C101 C119 C110 -10.7(8) . . . . ?
C84 C101 C119 C110 170.3(5) . . . . ?
N13 C101 C119 C153 170.3(5) . . . . ?
C84 C101 C119 C153 -8.7(8) . . . . ?
N16 C110 C119 C101 2.9(9) . . . . ?
C100 C110 C119 C101 -169.6(5) . . . . ?
N16 C110 C119 C153 -178.1(5) . . . . ?
C100 C110 C119 C153 9.4(8) . . . . ?
C71 C82 C120 C95 -1.4(9) . . . . ?
C149 C82 C120 C95 -178.3(6) . . . . ?
C76 C95 C120 C82 0.6(9) . . . . ?
C139 C95 C120 C82 179.4(6) . . . . ?
C110 C100 C121 C80 0.9(6) . . . . ?
C94 C80 C121 C100 178.8(5) . . . . ?
N16 C80 C121 C100 -0.1(6) . . . . ?
C69 C112 C122 C83 -2.9(6) . . . . ?
N14 C83 C122 C112 2.0(6) . . . . ?
C109 C83 C122 C112 -174.7(5) . . . . ?
C59 C111 C124 C145 0.6(8) . . . . ?
C123 C111 C124 C145 -178.1(5) . . . . ?
C97 C118 C125 C156 2.5(9) . . . . ?
C126 C118 C125 C156 -176.4(6) . . . . ?
C125 C118 C126 C197 -122.8(7) . . . . ?
C97 C118 C126 C197 58.4(8) . . . . ?
C125 C118 C126 C201 1.6(8) . . . . ?
C97 C118 C126 C201 -177.2(6) . . . . ?
C125 C118 C126 C207 115.7(7) . . . . ?
C97 C118 C126 C207 -63.1(7) . . . . ?
C87 C115 C131 C169 -0.7(10) . . . . ?
C87 C115 C131 C192 -178.3(6) . . . . ?
C18 C27 C132 C166 -0.6(10) . . . . ?
C30 C27 C132 C166 -178.4(6) . . . . ?
C146 C128 C133 C107 0.7(10) . . . . ?
C214 C128 C133 C107 179.7(6) . . . . ?
C55 C107 C133 C128 0.8(9) . . . . ?
C173 C107 C133 C128 -179.5(6) . . . . ?
C59 C77 C134 C145 -1.0(8) . . . . ?
C144 C77 C134 C145 178.1(5) . . . . ?
C163 C127 C136 C175 -0.9(9) . . . . ?
C163 C127 C136 C202 -179.5(6) . . . . ?
C18 C34 C137 C166 -0.3(9) . . . . ?
C96 C34 C137 C166 -179.5(6) . . . . ?
C120 C95 C139 C196 173.6(6) . . . . ?
C76 C95 C139 C196 -7.6(9) . . . . ?
C120 C95 C139 C198 -71.1(8) . . . . ?
C76 C95 C139 C198 107.7(7) . . . . ?
C120 C95 C139 C184 50.0(8) . . . . ?
C76 C95 C139 C184 -131.3(6) . . . . ?
C97 C90 C140 C156 -0.1(10) . . . . ?
C109 C90 C140 C156 -179.0(6) . . . . ?
C111 C124 C145 C134 -2.4(8) . . . . ?
C111 C124 C145 C185 176.9(6) . . . . ?
C77 C134 C145 C124 2.7(9) . . . . ?
C77 C134 C145 C185 -176.6(6) . . . . ?
C55 C78 C146 C128 -0.1(9) . . . . ?
C182 C78 C146 C128 177.6(6) . . . . ?
C133 C128 C146 C78 -1.1(10) . . . . ?
C214 C128 C146 C78 179.9(6) . . . . ?
C170 C141 C148 C167 0.8(9) . . . . ?
C206 C141 C148 C167 -178.1(6) . . . . ?
C120 C82 C149 C229 -166.4(11) . . . . ?
C71 C82 C149 C229 16.7(12) . . . . ?
C120 C82 C149 C235 -54.7(11) . . . . ?
C71 C82 C149 C235 128.4(10) . . . . ?
C120 C82 C149 C226 64.3(9) . . . . ?
C71 C82 C149 C226 -112.5(7) . . . . ?
C157 C105 C150 C177 -2.4(9) . . . . ?
C60 C105 C150 C177 -179.4(5) . . . . ?
C157 C105 C150 C193 177.7(6) . . . . ?
C60 C105 C150 C193 0.7(9) . . . . ?
C187 C130 C153 C172 1.4(9) . . . . ?
C187 C130 C153 C119 -176.3(5) . . . . ?
C101 C119 C153 C130 60.3(8) . . . . ?
C110 C119 C153 C130 -118.8(6) . . . . ?
C101 C119 C153 C172 -117.6(6) . . . . ?
C110 C119 C153 C172 63.3(7) . . . . ?
C63 C72 C155 C161 0.7(9) . . . . ?
C103 C72 C155 C161 177.9(6) . . . . ?
C90 C140 C156 C125 -1.3(10) . . . . ?
C90 C140 C156 C168 177.5(6) . . . . ?
C118 C125 C156 C140 0.0(10) . . . . ?
C118 C125 C156 C168 -178.8(6) . . . . ?
C150 C105 C157 C186 4.0(8) . . . . ?
C60 C105 C157 C186 -178.9(5) . . . . ?
C150 C105 C157 C190 -175.8(6) . . . . ?
C60 C105 C157 C190 1.2(8) . . . . ?
C174 C158 C159 C178 2.0(10) . . . . ?
C174 C158 C159 C224 -178.2(7) . . . . ?
C87 C106 C160 C169 -2.5(10) . . . . ?
C94 C106 C160 C169 178.8(6) . . . . ?
C87 C106 C160 C208 -179.5(7) . . . . ?
C94 C106 C160 C208 1.8(11) . . . . ?
C72 C155 C161 C162 -0.2(10) . . . . ?
C72 C155 C161 C209 178.4(7) . . . . ?
C155 C161 C162 C114 -0.4(11) . . . . ?
C209 C161 C162 C114 -179.0(7) . . . . ?
C63 C114 C162 C161 0.3(10) . . . . ?
C152 C114 C162 C161 -178.1(6) . . . . ?
C136 C127 C163 C165 -0.1(10) . . . . ?
C127 C163 C165 C164 1.9(10) . . . . ?
C175 C164 C165 C163 -2.6(10) . . . . ?
C27 C132 C166 C137 -0.6(11) . . . . ?
C27 C132 C166 C212 179.6(8) . . . . ?
C34 C137 C166 C132 1.1(10) . . . . ?
C34 C137 C166 C212 -179.1(8) . . . . ?
C180 C143 C167 C148 1.3(9) . . . . ?
C141 C148 C167 C143 -2.4(9) . . . . ?
C140 C156 C168 C191 65.3(8) . . . . ?
C125 C156 C168 C191 -116.0(7) . . . . ?
C140 C156 C168 C181 -173.2(6) . . . . ?
C125 C156 C168 C181 5.6(9) . . . . ?
C140 C156 C168 C199 -56.1(9) . . . . ?
C125 C156 C168 C199 122.6(7) . . . . ?
C115 C131 C169 C160 -0.6(11) . . . . ?
C192 C131 C169 C160 177.0(7) . . . . ?
C106 C160 C169 C131 2.2(12) . . . . ?
C208 C160 C169 C131 179.2(8) . . . . ?
C148 C141 C170 C180 2.0(10) . . . . ?
C206 C141 C170 C180 -179.0(6) . . . . ?
C130 C153 C172 C176 2.5(10) . . . . ?
C119 C153 C172 C176 -179.6(6) . . . . ?
C159 C158 C174 C183 1.5(10) . . . . ?
C165 C164 C175 C136 1.6(10) . . . . ?
C127 C136 C175 C164 0.2(10) . . . . ?
C202 C136 C175 C164 178.7(6) . . . . ?
C153 C172 C176 C147 -4.0(10) . . . . ?
C153 C172 C176 C171 179.3(6) . . . . ?
C187 C147 C176 C172 2.0(10) . . . . ?
C187 C147 C176 C171 178.4(6) . . . . ?
C213 C171 C176 C172 -179.7(7) . . . . ?
C204 C171 C176 C172 57.1(9) . . . . ?
C225 C171 C176 C172 -61.9(9) . . . . ?
C213 C171 C176 C147 4.0(10) . . . . ?
C204 C171 C176 C147 -119.2(8) . . . . ?
C225 C171 C176 C147 121.8(8) . . . . ?
C105 C150 C177 C188 -0.7(11) . . . . ?
C193 C150 C177 C188 179.2(7) . . . . ?
C158 C159 C178 C203 -2.4(11) . . . . ?
C224 C159 C178 C203 177.8(9) . . . . ?
C141 C170 C180 C143 -3.3(11) . . . . ?
C167 C143 C180 C170 1.5(10) . . . . ?
C158 C174 C183 C203 -4.4(11) . . . . ?
C105 C157 C186 C188 -2.6(10) . . . . ?
C190 C157 C186 C188 177.2(7) . . . . ?
C153 C130 C187 C147 -3.2(8) . . . . ?
C153 C130 C187 C189 177.9(5) . . . . ?
C176 C147 C187 C130 1.6(9) . . . . ?
C176 C147 C187 C189 -179.5(6) . . . . ?
C157 C186 C188 C177 -0.4(12) . . . . ?
C157 C186 C188 C231 178.8(7) . . . . ?
C150 C177 C188 C186 2.1(12) . . . . ?
C150 C177 C188 C231 -177.1(7) . . . . ?
C130 C187 C189 C195 -135.0(6) . . . . ?
C147 C187 C189 C195 46.2(8) . . . . ?
C130 C187 C189 C200 -15.5(8) . . . . ?
C147 C187 C189 C200 165.7(6) . . . . ?
C130 C187 C189 C211 104.4(7) . . . . ?
C147 C187 C189 C211 -74.4(8) . . . . ?
C159 C178 C203 C183 -0.5(14) . . . . ?
C174 C183 C203 C178 4.1(13) . . . . ?
C223 C205 C216 C217 3.1(17) . . . . ?
C223 C205 C216 C255 178.8(11) . . . . ?
C205 C216 C217 C219 -4.1(18) . . . . ?
C255 C216 C217 C219 -179.6(12) . . . . ?
C216 C217 C219 C220 3.1(18) . . . . ?
C217 C219 C220 C223 -0.9(16) . . . . ?
C216 C205 C223 C220 -1.1(16) . . . . ?
C219 C220 C223 C205 -0.1(15) . . . . ?
C252 C248 C247 C250 0.0 . . . . ?
C248 C247 C250 C251 0.0 . . . . ?
C247 C250 C251 C246 0.0 . . . . ?
C250 C251 C246 C252 0.0 . . . . ?
C251 C246 C252 C248 0.0 . . . . ?
C251 C246 C252 C249 168.1(17) . . . . ?
C247 C248 C252 C246 0.0 . . . . ?
C247 C248 C252 C249 -168.4(17) . . . . ?
C2 N3 Ni1 N1 170.7(4) . . . . ?
C7 N3 Ni1 N1 -7.7(4) . . . . ?
C2 N3 Ni1 N7 -15.0(3) . . . . ?
C7 N3 Ni1 N7 166.6(4) . . . . ?
C260 C262 C257 C258 10.9(5) . . . . ?
C262 C257 C258 C261 0.0 . . . . ?
C257 C258 C261 C259 0.0 . . . . ?
C258 C261 C259 C260 -11.1(5) . . . . ?
C261 C259 C260 C264 -151.8(8) . . . . ?
C261 C259 C260 C262 27.6(9) . . . . ?
C257 C262 C260 C264 151.8(8) . . . . ?
C257 C262 C260 C259 -27.5(9) . . . . ?
C132 C166 C212 C232 -178.4(12) . . . . ?
C137 C166 C212 C232 1.8(18) . . . . ?
C132 C166 C212 C234 -39.6(16) . . . . ?
C137 C166 C212 C234 140.6(11) . . . . ?
C132 C166 C212 C254 71.9(12) . . . . ?
C137 C166 C212 C254 -107.9(12) . . . . ?
