#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:09:42 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179679 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/01/7000194.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_7000194
loop_
_publ_author_name
'Ou, Guang-Chuan'
'Jiang, Long'
'Feng, Xiao-Long'
'Lu, Tong-Bu'
_publ_section_title
;
 Vanadium polyoxoanion-bridged macrocyclic metal complexes: from
 one-dimensional to three-dimensional structures
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              71
_journal_page_last               76
_journal_paper_doi               10.1039/b810802a
_journal_year                    2009
_chemical_formula_sum            'C96 H246 N24 Ni6 O90 V32'
_chemical_formula_weight         5159.37
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.200(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.482(3)
_cell_length_b                   25.800(3)
_cell_length_c                   26.521(3)
_cell_measurement_reflns_used    6476
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.17
_cell_measurement_theta_min      2.38
_cell_volume                     9218(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Gemini S Ultra'
_diffrn_measurement_method       'ω and π scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            39400
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.79
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.223
_exptl_absorpt_correction_T_max  0.6406
_exptl_absorpt_correction_T_min  0.4151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5206
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.433
_refine_diff_density_min         -1.080
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         9029
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0501
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0672P)²+59.3663P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1339
_reflns_number_gt                7008
_reflns_number_total             9029
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b810802a.txt
_cod_data_source_block           l712085m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7000194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1W O 0.5000 0.0947(19) 0.2500 0.54(3) Uani 1 2 d SU . .
O3W O 0.4562(6) 0.2444(3) 0.0109(3) 0.116(2) Uani 1 1 d U . .
N3 N -0.043(3) 0.2287(6) 0.2048(4) 0.044(3) Uani 0.540(6) 1 d PDU A -1
H3A H -0.1066 0.2350 0.2110 0.053 Uiso 0.540(6) 1 d PR A -1
N4 N -0.0476(6) 0.1155(3) 0.1900(3) 0.0297(17) Uani 0.540(6) 1 d PDU A -1
H4A H -0.1125 0.1113 0.1955 0.036 Uiso 0.540(6) 1 d PR A -1
C9 C 0.009(3) 0.2750(12) 0.2217(3) 0.063(6) Uani 0.540(6) 1 d PDU A -1
H9A H -0.0137 0.3057 0.2042 0.076 Uiso 0.540(6) 1 d PR A -1
H9B H 0.0791 0.2713 0.2185 0.076 Uiso 0.540(6) 1 d PR A -1
C10 C -0.0056(8) 0.0653(4) 0.2058(5) 0.038(3) Uani 0.540(6) 1 d PDU A -1
H10C H -0.0230 0.0396 0.1807 0.057 Uiso 0.540(6) 1 d PR A -1
H10D H 0.0653 0.0682 0.2091 0.057 Uiso 0.540(6) 1 d PR A -1
C11 C -0.0473(8) 0.1271(4) 0.1358(4) 0.033(3) Uani 0.540(6) 1 d PDU A -1
H11A H 0.0228 0.1265 0.1248 0.040 Uiso 0.540(6) 1 calc PR A -1
C12 C -0.1075(8) 0.0895(4) 0.1040(4) 0.048(3) Uani 0.540(6) 1 d PDU A -1
H12A H -0.0804 0.0545 0.1086 0.072 Uiso 0.540(6) 1 calc PR A -1
H12B H -0.1048 0.0994 0.0684 0.072 Uiso 0.540(6) 1 calc PR A -1
H12C H -0.1766 0.0901 0.1142 0.072 Uiso 0.540(6) 1 calc PR A -1
C13 C -0.0878(8) 0.1814(4) 0.1290(4) 0.034(2) Uani 0.540(6) 1 d PDU A -1
H13A H -0.1544 0.1814 0.1434 0.040 Uiso 0.540(6) 1 calc PR A -1
H13B H -0.0981 0.1867 0.0922 0.040 Uiso 0.540(6) 1 calc PR A -1
C14 C -0.0347(8) 0.2291(4) 0.1493(4) 0.035(3) Uani 0.540(6) 1 d PDU A -1
C15 C 0.0613(8) 0.2159(6) 0.1247(5) 0.070(4) Uani 0.540(6) 1 d PDU A -1
H15A H 0.0919 0.1858 0.1416 0.104 Uiso 0.540(6) 1 calc PR A -1
H15B H 0.1066 0.2455 0.1274 0.104 Uiso 0.540(6) 1 calc PR A -1
H15C H 0.0476 0.2077 0.0890 0.104 Uiso 0.540(6) 1 calc PR A -1
C16 C -0.0792(12) 0.2764(5) 0.1236(5) 0.068(4) Uani 0.540(6) 1 d PDU A -1
H16A H -0.0453 0.3076 0.1364 0.102 Uiso 0.540(6) 1 calc PR A -1
H16B H -0.1500 0.2786 0.1305 0.102 Uiso 0.540(6) 1 calc PR A -1
H16C H -0.0712 0.2738 0.0871 0.102 Uiso 0.540(6) 1 calc PR A -1
N3' N -0.0378(8) 0.0984(3) 0.2105(3) 0.0297(17) Uani 0.460(6) 1 d PD A -2
H3'A H -0.1039 0.0940 0.2116 0.036 Uiso 0.460(6) 1 d PR A -2
N4' N -0.049(3) 0.2209(7) 0.1977(5) 0.044(3) Uani 0.460(6) 1 d PD A -2
H4'A H -0.1144 0.2237 0.2029 0.053 Uiso 0.460(6) 1 d PR A -2
C9' C 0.0105(9) 0.0556(4) 0.2392(4) 0.027(3) Uani 0.460(6) 1 d PDU A -2
H9'A H -0.0044 0.0233 0.2226 0.041 Uiso 0.460(6) 1 d PR A -2
H9'B H 0.0811 0.0609 0.2407 0.041 Uiso 0.460(6) 1 d PR A -2
C10' C -0.005(3) 0.2677(15) 0.2224(8) 0.077(10) Uani 0.460(6) 1 d PDU A -2
H10A H -0.0463 0.2966 0.2123 0.092 Uiso 0.460(6) 1 d PR A -2
H10B H 0.0584 0.2726 0.2083 0.092 Uiso 0.460(6) 1 d PR A -2
C11' C -0.0459(11) 0.2050(5) 0.1434(5) 0.040(4) Uani 0.460(6) 1 d PDU A -2
H11B H 0.0229 0.2105 0.1317 0.049 Uiso 0.460(6) 1 calc PR A -2
C12' C -0.1161(11) 0.2393(7) 0.1129(6) 0.061(4) Uani 0.460(6) 1 d PDU A -2
H12D H -0.0979 0.2757 0.1185 0.092 Uiso 0.460(6) 1 calc PR A -2
H12E H -0.1841 0.2336 0.1233 0.092 Uiso 0.460(6) 1 calc PR A -2
H12F H -0.1118 0.2310 0.0770 0.092 Uiso 0.460(6) 1 calc PR A -2
C13' C -0.0741(11) 0.1487(6) 0.1348(5) 0.040(4) Uani 0.460(6) 1 d PDU A -2
H13C H -0.0787 0.1433 0.0978 0.048 Uiso 0.460(6) 1 calc PR A -2
H13D H -0.1420 0.1443 0.1471 0.048 Uiso 0.460(6) 1 calc PR A -2
C14' C -0.0120(8) 0.1045(5) 0.1568(4) 0.037(3) Uani 0.460(6) 1 d PDU A -2
C15' C 0.0605(7) 0.1248(5) 0.1168(4) 0.033(3) Uani 0.460(6) 1 d PDU A -2
H15D H 0.1214 0.1039 0.1183 0.050 Uiso 0.460(6) 1 calc PR A -2
H15E H 0.0770 0.1611 0.1239 0.050 Uiso 0.460(6) 1 calc PR A -2
H15F H 0.0287 0.1220 0.0831 0.050 Uiso 0.460(6) 1 calc PR A -2
C16' C -0.0360(10) 0.0542(5) 0.1292(5) 0.052(4) Uani 0.460(6) 1 d PDU A -2
H16D H -0.0830 0.0339 0.1485 0.078 Uiso 0.460(6) 1 calc PR A -2
H16E H 0.0251 0.0341 0.1256 0.078 Uiso 0.460(6) 1 calc PR A -2
H16F H -0.0655 0.0619 0.0958 0.078 Uiso 0.460(6) 1 calc PR A -2
N1 N 0.6289(5) 0.0441(3) 0.4907(3) 0.0552(17) Uani 0.706(5) 1 d PDU B -1
H1A H 0.6230 0.0544 0.4583 0.066 Uiso 0.706(5) 1 d PR B -1
N2 N 0.5621(5) -0.0676(3) 0.4719(3) 0.0542(17) Uani 0.706(5) 1 d PDU B -1
H2A H 0.5567 -0.0658 0.4380 0.065 Uiso 0.706(5) 1 d PR B -1
C1 C 0.6127(9) 0.0932(4) 0.5198(4) 0.069(3) Uani 0.706(5) 1 d PDU B -1
H1B H 0.6551 0.1194 0.5070 0.083 Uiso 0.706(5) 1 d PR B -1
H1C H 0.6300 0.0871 0.5544 0.083 Uiso 0.706(5) 1 d PR B -1
C2 C 0.4953(9) -0.1085(4) 0.4868(5) 0.072(3) Uani 0.706(5) 1 d PDU B -1
H2B H 0.5088 -0.1162 0.5211 0.087 Uiso 0.706(5) 1 d PR B -1
H2C H 0.5068 -0.1381 0.4665 0.087 Uiso 0.706(5) 1 d PR B -1
C3 C 0.6679(6) -0.0743(3) 0.4852(3) 0.059(2) Uani 0.706(5) 1 d PDU B -1
H3B H 0.6748 -0.0753 0.5228 0.071 Uiso 0.706(5) 1 calc PR B -1
C4 C 0.7069(11) -0.1252(4) 0.4657(5) 0.095(4) Uani 0.706(5) 1 d PDU B -1
H4B H 0.6671 -0.1533 0.4774 0.143 Uiso 0.706(5) 1 d PR B -1
H4C H 0.7036 -0.1245 0.4295 0.143 Uiso 0.706(5) 1 d PR B -1
H4D H 0.7745 -0.1300 0.4774 0.143 Uiso 0.706(5) 1 d PR B -1
C5 C 0.7270(7) -0.0285(4) 0.4679(4) 0.064(2) Uani 0.706(5) 1 d PDU B -1
H5B H 0.7054 -0.0219 0.4335 0.077 Uiso 0.706(5) 1 d PR B -1
H5C H 0.7945 -0.0401 0.4668 0.077 Uiso 0.706(5) 1 d PR B -1
C6 C 0.7299(7) 0.0225(4) 0.4952(3) 0.064(3) Uani 0.706(5) 1 d PDU B -1
C7 C 0.8040(9) 0.0557(5) 0.4690(4) 0.085(3) Uani 0.706(5) 1 d PDU B -1
H7B H 0.7810 0.0631 0.4351 0.128 Uiso 0.706(5) 1 d PR B -1
H7C H 0.8135 0.0876 0.4872 0.128 Uiso 0.706(5) 1 d PR B -1
H7D H 0.8658 0.0373 0.4684 0.128 Uiso 0.706(5) 1 d PR B -1
C8 C 0.7658(10) 0.0086(6) 0.5487(4) 0.082(3) Uani 0.706(5) 1 d PDU B -1
H8B H 0.7167 -0.0123 0.5643 0.122 Uiso 0.706(5) 1 d PR B -1
H8C H 0.8274 -0.0100 0.5485 0.122 Uiso 0.706(5) 1 d PR B -1
H8D H 0.7750 0.0403 0.5672 0.122 Uiso 0.706(5) 1 d PR B -1
N2' N 0.6155(10) -0.0431(6) 0.4709(6) 0.0542(17) Uani 0.294(5) 1 d PDU B -2
H2'A H 0.6136 -0.0360 0.4376 0.065 Uiso 0.294(5) 1 d PR B -2
C6' C 0.6942(12) 0.0672(7) 0.5096(8) 0.063(4) Uani 0.294(5) 1 d PDU B -2
C7' C 0.728(2) 0.1212(8) 0.4979(11) 0.083(7) Uani 0.294(5) 1 d PDU B -2
H7'A H 0.6896 0.1340 0.4692 0.124 Uiso 0.294(5) 1 d PR B -2
H7'B H 0.7166 0.1429 0.5266 0.124 Uiso 0.294(5) 1 d PR B -2
H7'C H 0.7969 0.1215 0.4907 0.124 Uiso 0.294(5) 1 d PR B -2
C8' C 0.7461(19) 0.0420(10) 0.5552(8) 0.059(6) Uani 0.294(5) 1 d PDU B -2
H8'A H 0.7340 0.0613 0.5853 0.089 Uiso 0.294(5) 1 d PR B -2
H8'B H 0.7225 0.0072 0.5589 0.089 Uiso 0.294(5) 1 d PR B -2
H8'C H 0.8161 0.0414 0.5497 0.089 Uiso 0.294(5) 1 d PR B -2
C1' C 0.537(2) 0.1062(10) 0.5341(11) 0.069(7) Uani 0.294(5) 1 d PDU B -2
H1'C H 0.5610 0.1396 0.5233 0.083 Uiso 0.294(5) 1 d PR B -2
H1'D H 0.5636 0.1002 0.5680 0.083 Uiso 0.294(5) 1 d PR B -2
C2' C 0.5858(19) -0.0981(7) 0.4745(9) 0.054(5) Uani 0.294(5) 1 d PDU B -2
H2'C H 0.6076 -0.1105 0.5069 0.065 Uiso 0.294(5) 1 d PR B -2
H2'D H 0.6191 -0.1166 0.4491 0.065 Uiso 0.294(5) 1 d PR B -2
C3' C 0.7172(14) -0.0326(9) 0.4903(11) 0.076(4) Uani 0.294(5) 1 d PDU B -2
H3'B H 0.7299 -0.0419 0.5265 0.091 Uiso 0.294(5) 1 calc PR B -2
C4' C 0.787(3) -0.0570(15) 0.4546(12) 0.106(9) Uani 0.294(5) 1 d PDU B -2
H4'B H 0.7856 -0.0941 0.4580 0.159 Uiso 0.294(5) 1 d PR B -2
H4'C H 0.7720 -0.0478 0.4201 0.159 Uiso 0.294(5) 1 d PR B -2
H4'D H 0.8525 -0.0446 0.4642 0.159 Uiso 0.294(5) 1 d PR B -2
C5' C 0.732(3) 0.0235(9) 0.4784(11) 0.073(5) Uani 0.294(5) 1 d PDU B -2
H5'A H 0.7041 0.0289 0.4438 0.088 Uiso 0.294(5) 1 calc PR B -2
H5'B H 0.8046 0.0287 0.4768 0.088 Uiso 0.294(5) 1 calc PR B -2
N1' N 0.5844(11) 0.0687(5) 0.5008(7) 0.0552(17) Uani 0.294(5) 1 d PDU B -2
H1'A H 0.5765 0.0815 0.4694 0.066 Uiso 0.294(5) 1 d PR B -2
Ni1 Ni 0.5000 0.0000 0.5000 0.0240(2) Uani 1 2 d SD . .
Ni2 Ni 0.0000 0.16514(4) 0.2500 0.0292(2) Uani 1 2 d SD . .
Ni3 Ni 0.52954(11) 0.37497(5) 0.26309(5) 0.0384(3) Uani 0.50 1 d PD . .
O1 O 0.3526(2) 0.19345(13) 0.21229(12) 0.0274(7) Uani 1 1 d . A .
O2 O 0.3448(2) -0.01141(13) 0.22812(11) 0.0273(7) Uani 1 1 d . A .
O3 O 0.4363(3) -0.01141(13) 0.32156(11) 0.0289(7) Uani 1 1 d . . .
O4 O 0.4558(2) 0.01852(14) 0.42737(11) 0.0311(8) Uani 1 1 d . A .
O5 O 0.3512(2) 0.07011(12) 0.34393(11) 0.0242(7) Uani 1 1 d . A .
O6 O 0.4675(2) 0.19255(13) 0.33062(12) 0.0275(7) Uani 1 1 d . . .
O7 O 0.1938(2) 0.01872(14) 0.15685(12) 0.0301(8) Uani 1 1 d . A .
O8 O 0.3570(3) 0.19618(16) 0.10173(13) 0.0399(9) Uani 1 1 d . A .
O9 O 0.2621(2) 0.06996(13) 0.24696(11) 0.0254(7) Uani 1 1 d . A .
O10 O 0.3208(3) 0.26729(14) 0.29175(14) 0.0415(9) Uani 1 1 d . A .
O11 O 0.3298(3) 0.15978(14) 0.40268(12) 0.0342(8) Uani 1 1 d . A .
O12 O 0.3024(2) 0.15871(13) 0.29836(11) 0.0279(7) Uani 1 1 d . A .
O13 O 0.3026(2) 0.11233(13) 0.16762(11) 0.0265(7) Uani 1 1 d . A .
O14 O 0.5081(2) 0.11168(13) 0.37372(11) 0.0268(7) Uani 1 1 d . . .
O15 O 0.3929(3) 0.02333(14) 0.14148(12) 0.0327(8) Uani 1 1 d . . .
O16 O 0.2183(3) -0.01296(14) 0.31450(13) 0.0353(8) Uani 1 1 d . A .
O17 O 0.4122(3) -0.08981(16) 0.15664(17) 0.0499(11) Uani 1 1 d . A .
O18 O 0.1456(2) 0.16342(14) 0.22460(12) 0.0320(8) Uani 1 1 d . A .
O19 O 0.5000 -0.0780(2) 0.2500 0.0360(12) Uani 1 2 d S . .
O20 O 0.5000 0.25171(19) 0.2500 0.0327(11) Uani 1 2 d S . .
V1 V 0.25918(6) 0.14233(3) 0.23096(3) 0.02296(18) Uani 1 1 d . . .
V2 V 0.40031(6) 0.16456(3) 0.14913(3) 0.02575(19) Uani 1 1 d . . .
V3 V 0.39090(8) 0.22034(4) 0.27569(3) 0.0383(2) Uani 1 1 d . . .
V4 V 0.38079(6) 0.14018(3) 0.35285(3) 0.02450(19) Uani 1 1 d . . .
V5 V 0.47444(6) 0.03975(3) 0.37124(3) 0.02485(19) Uani 1 1 d . . .
V6 V 0.31173(6) 0.01752(3) 0.29393(3) 0.02344(18) Uani 1 1 d . . .
V7 V 0.44664(8) -0.04418(4) 0.19405(5) 0.0526(3) Uani 1 1 d . . .
V8 V 0.29436(6) 0.04098(3) 0.18188(3) 0.02407(19) Uani 1 1 d . . .
C18 C 0.3374(11) 0.4030(5) 0.2778(5) 0.059(4) Uani 0.50 1 d PDU . .
H18A H 0.2666 0.3987 0.2761 0.071 Uiso 0.50 1 d PR . .
H18B H 0.3519 0.4380 0.2681 0.071 Uiso 0.50 1 d PR . .
N8 N 0.6720(6) 0.3844(4) 0.2873(3) 0.043(3) Uani 0.50 1 d PD . .
H8A H 0.6789 0.4181 0.2953 0.052 Uiso 0.50 1 d PR . .
N6 N 0.3847(6) 0.3667(4) 0.2429(4) 0.057(3) Uani 0.50 1 d PD . .
H6A H 0.3687 0.3352 0.2547 0.068 Uiso 0.50 1 d PR . .
N7 N 0.5802(6) 0.3618(3) 0.1943(3) 0.035(2) Uani 0.50 1 d PD . .
H7A H 0.5988 0.3283 0.1953 0.041 Uiso 0.50 1 d PR . .
N5 N 0.4864(8) 0.3925(4) 0.3341(3) 0.053(3) Uani 0.50 1 d PD . .
H5A H 0.5046 0.4258 0.3388 0.064 Uiso 0.50 1 d PR . .
C29 C 0.6459(9) 0.3748(5) 0.3759(4) 0.058(3) Uani 0.50 1 d PDU . .
H29A H 0.6551 0.4116 0.3777 0.070 Uiso 0.50 1 d PR . .
H29B H 0.6752 0.3604 0.4064 0.070 Uiso 0.50 1 d PR . .
C27 C 0.7044(9) 0.3555(5) 0.3329(4) 0.052(3) Uani 0.50 1 d PDU . .
H27A H 0.6916 0.3192 0.3278 0.063 Uiso 0.50 1 d PR . .
C28 C 0.8135(9) 0.3641(6) 0.3436(6) 0.063(4) Uani 0.50 1 d PDU . .
H28A H 0.8502 0.3511 0.3160 0.094 Uiso 0.50 1 d PR . .
H28B H 0.8257 0.4005 0.3477 0.094 Uiso 0.50 1 d PR . .
H28C H 0.8341 0.3462 0.3740 0.094 Uiso 0.50 1 d PR . .
C32 C 0.4959(14) 0.3859(7) 0.4242(5) 0.081(5) Uani 0.50 1 d PDU . .
H32A H 0.5104 0.4222 0.4271 0.122 Uiso 0.50 1 d PR . .
H32B H 0.4254 0.3808 0.4239 0.122 Uiso 0.50 1 d PR . .
H32C H 0.5265 0.3678 0.4523 0.122 Uiso 0.50 1 d PR . .
C30 C 0.5365(9) 0.3647(4) 0.3762(4) 0.054(3) Uani 0.50 1 d PDU . .
C31 C 0.5139(12) 0.3077(4) 0.3718(5) 0.060(4) Uani 0.50 1 d PDU . .
H31A H 0.5395 0.2946 0.3409 0.090 Uiso 0.50 1 d PR . .
H31B H 0.5445 0.2895 0.3999 0.090 Uiso 0.50 1 d PR . .
H31C H 0.4434 0.3025 0.3715 0.090 Uiso 0.50 1 d PR . .
C17 C 0.3772(9) 0.3940(6) 0.3302(5) 0.059(4) Uani 0.50 1 d PDU . .
H17A H 0.3517 0.3616 0.3419 0.070 Uiso 0.50 1 d PR . .
H17B H 0.3539 0.4209 0.3518 0.070 Uiso 0.50 1 d PR . .
C25 C 0.6747(8) 0.3902(5) 0.1960(5) 0.042(3) Uani 0.50 1 d PDU . .
H25A H 0.6622 0.4268 0.1955 0.050 Uiso 0.50 1 d PR . .
H25B H 0.7121 0.3815 0.1671 0.050 Uiso 0.50 1 d PR . .
C26 C 0.7327(8) 0.3754(5) 0.2433(3) 0.043(3) Uani 0.50 1 d PDU . .
H26A H 0.7516 0.3396 0.2417 0.051 Uiso 0.50 1 d PR . .
H26B H 0.7922 0.3958 0.2464 0.051 Uiso 0.50 1 d PR . .
C22 C 0.5165(8) 0.3655(5) 0.1479(4) 0.043(3) Uani 0.50 1 d PDU . .
C21 C 0.4189(8) 0.3394(5) 0.1562(5) 0.053(3) Uani 0.50 1 d PDU . .
H21A H 0.4325 0.3055 0.1696 0.063 Uiso 0.50 1 d PR . .
H21B H 0.3856 0.3349 0.1238 0.063 Uiso 0.50 1 d PR . .
C20 C 0.2490(14) 0.3411(8) 0.1883(7) 0.085(5) Uani 0.50 1 d PU . .
H20A H 0.2064 0.3595 0.2104 0.128 Uiso 0.50 1 d PR . .
H20B H 0.2218 0.3428 0.1544 0.128 Uiso 0.50 1 d PR . .
H20C H 0.2541 0.3056 0.1988 0.128 Uiso 0.50 1 d PR . .
C24 C 0.5010(11) 0.4243(5) 0.1349(5) 0.057(3) Uani 0.50 1 d PU . .
H24A H 0.4679 0.4409 0.1620 0.086 Uiso 0.50 1 d PR . .
H24B H 0.5644 0.4404 0.1309 0.086 Uiso 0.50 1 d PR . .
H24C H 0.4614 0.4278 0.1043 0.086 Uiso 0.50 1 d PR . .
C19 C 0.3488(10) 0.3656(6) 0.1904(4) 0.054(4) Uani 0.50 1 d PDU . .
H19A H 0.3416 0.4007 0.1789 0.064 Uiso 0.50 1 d PR . .
C23 C 0.5685(11) 0.3370(6) 0.1068(5) 0.065(4) Uani 0.50 1 d PU . .
H23A H 0.5760 0.3012 0.1161 0.097 Uiso 0.50 1 d PR . .
H23B H 0.5297 0.3395 0.0758 0.097 Uiso 0.50 1 d PR . .
H23C H 0.6327 0.3521 0.1024 0.097 Uiso 0.50 1 d PR . .
O4WA O 0.2023(11) 0.2655(6) 0.0586(5) 0.110(4) Uani 0.50 1 d PU . .
O2W O 0.6616(5) 0.2468(3) 0.0273(3) 0.110(2) Uani 1 1 d U . .
O4WB O 0.1957(14) 0.1955(7) 0.0162(6) 0.134(6) Uani 0.50 1 d PU . .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
C9 N3 C14 104.5(14) . . ?
C9 N3 Ni2 110.7(18) . . ?
C14 N3 Ni2 123.0(9) . . ?
C9 N3 H3A 104.3 . . ?
C14 N3 H3A 106.6 . . ?
Ni2 N3 H3A 106.2 . . ?
C9 N3 H4'A 126.1 . . ?
C14 N3 H4'A 93.3 . . ?
Ni2 N3 H4'A 100.1 . . ?
H3A N3 H4'A 22.6 . . ?
C11 N4 C10 116.3(8) . . ?
C11 N4 Ni2 126.7(6) . . ?
C10 N4 Ni2 102.6(6) . . ?
C11 N4 H4A 102.8 . . ?
C10 N4 H4A 102.3 . . ?
Ni2 N4 H4A 102.7 . . ?
C11 N4 H3'A 129.2 . . ?
C10 N4 H3'A 71.2 . . ?
Ni2 N4 H3'A 96.2 . . ?
H4A N4 H3'A 34.1 . . ?
N3 C9 H9A 113.2 . . ?
N3 C9 H9B 110.7 . . ?
H9A C9 H9B 109.6 . . ?
N3 C9 H10A 92.5 . . ?
H9A C9 H10A 33.3 . . ?
H9B C9 H10A 143.0 . . ?
N3 C9 H10B 101.9 . . ?
H9A C9 H10B 96.2 . . ?
H9B C9 H10B 22.3 . . ?
H10A C9 H10B 127.4 . . ?
N4 C10 H10C 109.3 . . ?
N4 C10 H10D 109.2 . . ?
H10C C10 H10D 109.5 . . ?
N4 C10 H3'A 43.6 . . ?
H10C C10 H3'A 102.4 . . ?
H10D C10 H3'A 144.7 . . ?
N4 C10 H9'A 157.6 . . ?
H10C C10 H9'A 68.0 . . ?
H10D C10 H9'A 92.2 . . ?
H3'A C10 H9'A 114.1 . . ?
N4 C10 H9'B 122.4 . . ?
H10C C10 H9'B 123.5 . . ?
H10D C10 H9'B 35.1 . . ?
H3'A C10 H9'B 130.1 . . ?
H9'A C10 H9'B 71.9 . . ?
N4 C11 C12 113.3(8) . . ?
N4 C11 C13 107.0(8) . . ?
C12 C11 C13 110.2(10) . . ?
N4 C11 H11A 108.7 . . ?
C12 C11 H11A 108.7 . . ?
C13 C11 H11A 108.7 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 C14 123.2(9) . . ?
C11 C13 H13A 106.5 . . ?
C14 C13 H13A 106.5 . . ?
C11 C13 H13B 106.5 . . ?
C14 C13 H13B 106.5 . . ?
H13A C13 H13B 106.5 . . ?
N3 C14 C15 121.6(16) . . ?
N3 C14 C16 114.4(9) . . ?
C15 C14 C16 108.6(10) . . ?
N3 C14 C13 107.3(13) . . ?
C15 C14 C13 93.6(9) . . ?
C16 C14 C13 108.8(10) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C9' N3' C14' 117.2(9) . . ?
C9' N3' Ni2 105.4(6) . . ?
C14' N3' Ni2 109.5(6) . . ?
C9' N3' H4A 141.1 . . ?
C14' N3' H4A 82.4 . . ?
Ni2 N3' H4A 97.7 . . ?
C9' N3' H3'A 107.9 . . ?
C14' N3' H3'A 108.3 . . ?
Ni2 N3' H3'A 108.2 . . ?
H4A N3' H3'A 33.9 . . ?
C10' N4' C11' 128(2) . . ?
C10' N4' Ni2 99(2) . . ?
C11' N4' Ni2 115.4(9) . . ?
C10' N4' H3A 80.8 . . ?
C11' N4' H3A 121.4 . . ?
Ni2 N4' H3A 105.2 . . ?
C10' N4' H4'A 104.1 . . ?
C11' N4' H4'A 103.4 . . ?
Ni2 N4' H4'A 103.9 . . ?
H3A N4' H4'A 23.5 . . ?
N3' C9' H10D 73.4 . . ?
N3' C9' H9'A 109.3 . . ?
H10D C9' H9'A 93.1 . . ?
N3' C9' H9'B 109.3 . . ?
H10D C9' H9'B 48.0 . . ?
H9'A C9' H9'B 109.5 . . ?
N4' C10' H9A 120.0 . . ?
N4' C10' H9B 113.7 . . ?
H9A C10' H9B 88.5 . . ?
N4' C10' H10A 107.2 . . ?
H9A C10' H10A 30.0 . . ?
H9B C10' H10A 118.2 . . ?
N4' C10' H10B 106.4 . . ?
H9A C10' H10B 77.7 . . ?
H9B C10' H10B 18.1 . . ?
H10A C10' H10B 107.6 . . ?
N4' C11' C12' 108.3(12) . . ?
N4' C11' C13' 113.1(14) . . ?
C12' C11' C13' 109.4(13) . . ?
N4' C11' H11B 108.7 . . ?
C12' C11' H11B 108.7 . . ?
C13' C11' H11B 108.7 . . ?
C11' C12' H12D 109.5 . . ?
C11' C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
C11' C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C11' C13' C14' 122.0(10) . . ?
C11' C13' H13C 106.8 . . ?
C14' C13' H13C 106.8 . . ?
C11' C13' H13D 106.8 . . ?
C14' C13' H13D 106.8 . . ?
H13C C13' H13D 106.7 . . ?
N3' C14' C16' 108.5(8) . . ?
N3' C14' C13' 107.6(9) . . ?
C16' C14' C13' 110.6(11) . . ?
N3' C14' C15' 149.6(9) . . ?
C16' C14' C15' 94.9(9) . . ?
C13' C14' C15' 80.6(9) . . ?
C14' C15' H15D 109.5 . . ?
C14' C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
C14' C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C14' C16' H10C 75.3 . . ?
C14' C16' H16D 109.5 . . ?
H10C C16' H16D 54.2 . . ?
C14' C16' H16E 109.5 . . ?
H10C C16' H16E 83.2 . . ?
H16D C16' H16E 109.5 . . ?
C14' C16' H16F 109.5 . . ?
H10C C16' H16F 162.9 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C6 N1 C1 115.4(8) . . ?
C6 N1 Ni1 123.6(6) . . ?
C1 N1 Ni1 105.0(6) . . ?
C6 N1 H1A 103.7 . . ?
C1 N1 H1A 103.5 . . ?
Ni1 N1 H1A 103.2 . . ?
C6 N1 H1'A 142.6 . . ?
C1 N1 H1'A 61.0 . . ?
Ni1 N1 H1'A 90.9 . . ?
H1A N1 H1'A 49.1 . . ?
C2 N2 C3 117.3(8) . . ?
C2 N2 Ni1 104.3(6) . . ?
C3 N2 Ni1 114.3(5) . . ?
C2 N2 H2A 106.5 . . ?
C3 N2 H2A 106.6 . . ?
Ni1 N2 H2A 107.2 . . ?
C2 N2 H2'A 156.2 . . ?
C3 N2 H2'A 74.1 . . ?
Ni1 N2 H2'A 87.7 . . ?
H2A N2 H2'A 49.9 . . ?
N1 C1 H1B 108.3 . . ?
N1 C1 H1C 108.8 . . ?
H1B C1 H1C 109.4 . . ?
N1 C1 H1'C 147.4 . . ?
H1B C1 H1'C 73.8 . . ?
H1C C1 H1'C 100.5 . . ?
N1 C1 H1'D 128.9 . . ?
H1B C1 H1'D 121.0 . . ?
H1C C1 H1'D 44.3 . . ?
H1'C C1 H1'D 66.0 . . ?
N1 C1 H1'A 52.9 . . ?
H1B C1 H1'A 90.2 . . ?
H1C C1 H1'A 157.7 . . ?
H1'C C1 H1'A 95.1 . . ?
H1'D C1 H1'A 133.3 . . ?
N2 C2 H2B 108.5 . . ?
N2 C2 H2C 108.1 . . ?
H2B C2 H2C 110.4 . . ?
N2 C2 H2'C 61.3 . . ?
H2B C2 H2'C 61.5 . . ?
H2C C2 H2'C 89.4 . . ?
N2 C3 C5 110.9(7) . . ?
N2 C3 C4 111.5(9) . . ?
C5 C3 C4 112.4(9) . . ?
N2 C3 H3B 107.2 . . ?
C5 C3 H3B 107.2 . . ?
C4 C3 H3B 107.2 . . ?
N2 C3 H2'C 66.1 . . ?
C5 C3 H2'C 170.4 . . ?
C4 C3 H2'C 76.8 . . ?
H3B C3 H2'C 66.3 . . ?
N2 C3 H2'D 63.6 . . ?
C5 C3 H2'D 124.8 . . ?
C4 C3 H2'D 48.2 . . ?
H3B C3 H2'D 127.3 . . ?
H2'C C3 H2'D 62.9 . . ?
C3 C4 H4B 109.9 . . ?
C3 C4 H4C 108.7 . . ?
H4B C4 H4C 109.5 . . ?
C3 C4 H4D 109.8 . . ?
H4B C4 H4D 109.5 . . ?
H4C C4 H4D 109.5 . . ?
C3 C4 H2'D 68.5 . . ?
H4B C4 H2'D 73.7 . . ?
H4C C4 H2'D 69.1 . . ?
H4D C4 H2'D 176.9 . . ?
C3 C4 H4'B 79.6 . . ?
H4B C4 H4'B 161.4 . . ?
H4C C4 H4'B 81.0 . . ?
H4D C4 H4'B 52.0 . . ?
H2'D C4 H4'B 124.9 . . ?
C6 C5 C3 122.9(9) . . ?
C6 C5 H5B 107.6 . . ?
C3 C5 H5B 106.5 . . ?
C6 C5 H5C 106.2 . . ?
C3 C5 H5C 106.1 . . ?
H5B C5 H5C 106.4 . . ?
C6 C5 H4'C 133.6 . . ?
C3 C5 H4'C 103.5 . . ?
H5B C5 H4'C 51.6 . . ?
H5C C5 H4'C 57.4 . . ?
N1 C6 C5 106.5(7) . . ?
N1 C6 C7 112.1(8) . . ?
C5 C6 C7 106.3(9) . . ?
N1 C6 C8 115.2(8) . . ?
C5 C6 C8 104.1(9) . . ?
C7 C6 C8 111.8(9) . . ?
C6 C7 H7B 110.5 . . ?
C6 C7 H7C 109.4 . . ?
H7B C7 H7C 109.5 . . ?
C6 C7 H7D 108.5 . . ?
H7B C7 H7D 109.4 . . ?
H7C C7 H7D 109.5 . . ?
C6 C8 H8B 109.6 . . ?
C6 C8 H8C 110.9 . . ?
H8B C8 H8C 109.5 . . ?
C6 C8 H8D 107.9 . . ?
H8B C8 H8D 109.5 . . ?
H8C C8 H8D 109.5 . . ?
C6 C8 H8'B 98.1 . . ?
H8B C8 H8'B 31.5 . . ?
H8C C8 H8'B 139.5 . . ?
H8D C8 H8'B 86.3 . . ?
C6 C8 H8'C 90.9 . . ?
H8B C8 H8'C 150.1 . . ?
H8C C8 H8'C 81.4 . . ?
H8D C8 H8'C 41.7 . . ?
H8'B C8 H8'C 126.9 . . ?
C3' N2' C2' 113.9(16) . . ?
C3' N2' Ni1 118.1(12) . . ?
C2' N2' Ni1 106.3(13) . . ?
C3' N2' H2A 148.9 . . ?
C2' N2' H2A 56.5 . . ?
Ni1 N2' H2A 92.6 . . ?
C3' N2' H2'A 107.2 . . ?
C2' N2' H2'A 105.2 . . ?
Ni1 N2' H2'A 105.1 . . ?
H2A N2' H2'A 55.9 . . ?
N1' C6' C5' 107(2) . . ?
N1' C6' C7' 104.3(16) . . ?
C5' C6' C7' 118(2) . . ?
N1' C6' C8' 124.0(19) . . ?
C5' C6' C8' 87.8(18) . . ?
C7' C6' C8' 115.4(19) . . ?
N1' C6' H1B 67.1 . . ?
C5' C6' H1B 143.6 . . ?
C7' C6' H1B 40.3 . . ?
C8' C6' H1B 126.2 . . ?
N1' C6' H1C 62.6 . . ?
C5' C6' H1C 149.9 . . ?
C7' C6' H1C 91.8 . . ?
C8' C6' H1C 77.8 . . ?
H1B C6' H1C 61.7 . . ?
C6' C7' H1B 67.1 . . ?
C6' C7' H7C 74.8 . . ?
H1B C7' H7C 141.6 . . ?
C6' C7' H7'A 109.1 . . ?
H1B C7' H7'A 73.4 . . ?
H7C C7' H7'A 116.5 . . ?
C6' C7' H7'B 108.7 . . ?
H1B C7' H7'B 70.1 . . ?
H7C C7' H7'B 129.6 . . ?
H7'A C7' H7'B 109.5 . . ?
C6' C7' H7'C 110.5 . . ?
H1B C7' H7'C 176.9 . . ?
H7C C7' H7'C 36.4 . . ?
H7'A C7' H7'C 109.5 . . ?
H7'B C7' H7'C 109.5 . . ?
C6' C8' H8B 114.6 . . ?
C6' C8' H8D 151.2 . . ?
H8B C8' H8D 91.1 . . ?
C6' C8' H8'A 110.7 . . ?
H8B C8' H8'A 107.5 . . ?
H8D C8' H8'A 70.5 . . ?
C6' C8' H8'B 109.7 . . ?
H8B C8' H8'B 5.0 . . ?
H8D C8' H8'B 96.1 . . ?
H8'A C8' H8'B 109.5 . . ?
C6' C8' H8'C 108.1 . . ?
H8B C8' H8'C 106.4 . . ?
H8D C8' H8'C 48.9 . . ?
H8'A C8' H8'C 109.5 . . ?
H8'B C8' H8'C 109.4 . . ?
N1' C1' H1C 66.7 . . ?
N1' C1' H1'C 104.3 . . ?
H1C C1' H1'C 96.6 . . ?
N1' C1' H1'D 107.2 . . ?
H1C C1' H1'D 46.0 . . ?
H1'C C1' H1'D 107.2 . . ?
N2' C2' H2A 54.7 . . ?
N2' C2' H2C 147.9 . . ?
H2A C2' H2C 98.1 . . ?
N2' C2' H2'C 107.7 . . ?
H2A C2' H2'C 160.4 . . ?
H2C C2' H2'C 95.2 . . ?
N2' C2' H2'D 107.4 . . ?
H2A C2' H2'D 86.2 . . ?
H2C C2' H2'D 84.7 . . ?
H2'C C2' H2'D 109.4 . . ?
N2' C3' C5' 104(2) . . ?
N2' C3' C4' 108(2) . . ?
C5' C3' C4' 100(2) . . ?
N2' C3' H5B 68.3 . . ?
C5' C3' H5B 68.3 . . ?
C4' C3' H5B 60.0 . . ?
N2' C3' H5C 125.6 . . ?
C5' C3' H5C 85.7 . . ?
C4' C3' H5C 20.5 . . ?
H5B C3' H5C 66.2 . . ?
N2' C3' H3'B 114.6 . . ?
C5' C3' H3'B 114.6 . . ?
C4' C3' H3'B 114.6 . . ?
H5B C3' H3'B 174.6 . . ?
H5C C3' H3'B 109.0 . . ?
C3' C4' H5B 60.9 . . ?
C3' C4' H5C 52.7 . . ?
H5B C4' H5C 81.5 . . ?
C3' C4' H4'B 109.8 . . ?
H5B C4' H4'B 127.4 . . ?
H5C C4' H4'B 137.4 . . ?
C3' C4' H4'C 112.1 . . ?
H5B C4' H4'C 51.2 . . ?
H5C C4' H4'C 113.1 . . ?
H4'B C4' H4'C 109.5 . . ?
C3' C4' H4'D 106.5 . . ?
H5B C4' H4'D 122.9 . . ?
H5C C4' H4'D 56.0 . . ?
H4'B C4' H4'D 109.5 . . ?
H4'C C4' H4'D 109.5 . . ?
C3' C5' C6' 124.1(17) . . ?
C3' C5' H5'A 106.3 . . ?
C6' C5' H5'A 106.3 . . ?
C3' C5' H5'B 106.3 . . ?
C6' C5' H5'B 106.3 . . ?
H5'A C5' H5'B 106.4 . . ?
C1' N1' C6' 112.2(18) . . ?
C1' N1' Ni1 108.1(15) . . ?
C6' N1' Ni1 120.8(11) . . ?
C1' N1' H1A 153.6 . . ?
C6' N1' H1A 72.7 . . ?
Ni1 N1' H1A 89.1 . . ?
C1' N1' H1'A 106.0 . . ?
C6' N1' H1'A 103.6 . . ?
Ni1 N1' H1'A 104.8 . . ?
H1A N1' H1'A 49.0 . . ?
O4 Ni1 O4 180.00(6) 5_656 . ?
O4 Ni1 N2' 91.7(5) 5_656 . ?
O4 Ni1 N2' 88.3(5) . . ?
O4 Ni1 N2' 88.3(5) 5_656 5_656 ?
O4 Ni1 N2' 91.7(5) . 5_656 ?
N2' Ni1 N2' 180.0(9) . 5_656 ?
O4 Ni1 N2 92.0(2) 5_656 . ?
O4 Ni1 N2 88.0(2) . . ?
N2' Ni1 N2 26.6(5) . . ?
N2' Ni1 N2 153.4(5) 5_656 . ?
O4 Ni1 N2 88.0(2) 5_656 5_656 ?
O4 Ni1 N2 92.0(2) . 5_656 ?
N2' Ni1 N2 153.4(5) . 5_656 ?
N2' Ni1 N2 26.6(5) 5_656 5_656 ?
N2 Ni1 N2 180.0(4) . 5_656 ?
O4 Ni1 N1 91.4(2) 5_656 . ?
O4 Ni1 N1 88.6(2) . . ?
N2' Ni1 N1 67.2(5) . . ?
N2' Ni1 N1 112.8(5) 5_656 . ?
N2 Ni1 N1 93.8(3) . . ?
N2 Ni1 N1 86.2(3) 5_656 . ?
O4 Ni1 N1 88.6(2) 5_656 5_656 ?
O4 Ni1 N1 91.4(2) . 5_656 ?
N2' Ni1 N1 112.8(5) . 5_656 ?
N2' Ni1 N1 67.2(5) 5_656 5_656 ?
N2 Ni1 N1 86.2(3) . 5_656 ?
N2 Ni1 N1 93.8(3) 5_656 5_656 ?
N1 Ni1 N1 180.0(3) . 5_656 ?
O4 Ni1 N1' 87.2(5) 5_656 5_656 ?
O4 Ni1 N1' 92.8(5) . 5_656 ?
N2' Ni1 N1' 87.6(7) . 5_656 ?
N2' Ni1 N1' 92.4(7) 5_656 5_656 ?
N2 Ni1 N1' 61.1(5) . 5_656 ?
N2 Ni1 N1' 118.9(5) 5_656 5_656 ?
N1 Ni1 N1' 154.7(5) . 5_656 ?
N1 Ni1 N1' 25.3(5) 5_656 5_656 ?
O4 Ni1 N1' 92.8(5) 5_656 . ?
O4 Ni1 N1' 87.2(5) . . ?
N2' Ni1 N1' 92.4(7) . . ?
N2' Ni1 N1' 87.6(7) 5_656 . ?
N2 Ni1 N1' 118.9(5) . . ?
N2 Ni1 N1' 61.1(5) 5_656 . ?
N1 Ni1 N1' 25.3(5) . . ?
N1 Ni1 N1' 154.7(5) 5_656 . ?
N1' Ni1 N1' 180.0(4) 5_656 . ?
N3' Ni2 N3' 67.3(5) . 2 ?
N3' Ni2 N4' 167.2(7) . 2 ?
N3' Ni2 N4' 99.9(7) 2 2 ?
N3' Ni2 N4' 99.9(7) . . ?
N3' Ni2 N4' 167.2(7) 2 . ?
N4' Ni2 N4' 92.9(14) 2 . ?
N3' Ni2 N3 175.1(6) . 2 ?
N3' Ni2 N3 107.8(6) 2 2 ?
N4' Ni2 N3 7.8(12) 2 2 ?
N4' Ni2 N3 85.0(4) . 2 ?
N3' Ni2 N3 107.8(6) . . ?
N3' Ni2 N3 175.1(6) 2 . ?
N4' Ni2 N3 85.0(4) 2 . ?
N4' Ni2 N3 7.8(12) . . ?
N3 Ni2 N3 77.2(11) 2 . ?
N3' Ni2 O18 92.0(3) . . ?
N3' Ni2 O18 86.0(3) 2 . ?
N4' Ni2 O18 87.2(11) 2 . ?
N4' Ni2 O18 94.5(11) . . ?
N3 Ni2 O18 87.8(9) 2 . ?
N3 Ni2 O18 94.1(9) . . ?
N3' Ni2 O18 86.0(3) . 2 ?
N3' Ni2 O18 92.0(3) 2 2 ?
N4' Ni2 O18 94.5(11) 2 2 ?
N4' Ni2 O18 87.2(11) . 2 ?
N3 Ni2 O18 94.1(9) 2 2 ?
N3 Ni2 O18 87.8(9) . 2 ?
O18 Ni2 O18 177.6(2) . 2 ?
N3' Ni2 N4 86.5(4) . 2 ?
N3' Ni2 N4 19.4(2) 2 2 ?
N4' Ni2 N4 80.7(7) 2 2 ?
N4' Ni2 N4 173.0(5) . 2 ?
N3 Ni2 N4 88.6(6) 2 2 ?
N3 Ni2 N4 165.5(5) . 2 ?
O18 Ni2 N4 88.2(3) . 2 ?
O18 Ni2 N4 90.4(3) 2 2 ?
N3' Ni2 N4 19.4(2) . . ?
N3' Ni2 N4 86.5(4) 2 . ?
N4' Ni2 N4 173.0(5) 2 . ?
N4' Ni2 N4 80.7(7) . . ?
N3 Ni2 N4 165.5(5) 2 . ?
N3 Ni2 N4 88.6(6) . . ?
O18 Ni2 N4 90.4(3) . . ?
O18 Ni2 N4 88.2(3) 2 . ?
N4 Ni2 N4 105.8(4) 2 . ?
Ni3 Ni3 N6 129.4(5) 2_655 2_655 ?
Ni3 Ni3 N7 78.8(3) 2_655 2_655 ?
N6 Ni3 N7 144.9(5) 2_655 2_655 ?
Ni3 Ni3 N7 70.7(3) 2_655 . ?
N6 Ni3 N7 58.8(5) 2_655 . ?
N7 Ni3 N7 143.3(3) 2_655 . ?
Ni3 Ni3 N6 27.2(3) 2_655 . ?
N6 Ni3 N6 151.7(5) 2_655 . ?
N7 Ni3 N6 51.6(4) 2_655 . ?
N7 Ni3 N6 95.8(3) . . ?
Ni3 Ni3 N8 155.8(3) 2_655 . ?
N6 Ni3 N8 31.5(5) 2_655 . ?
N7 Ni3 N8 125.3(4) 2_655 . ?
N7 Ni3 N8 87.5(3) . . ?
N6 Ni3 N8 176.7(4) . . ?
Ni3 Ni3 C19 171.9(4) 2_655 2_655 ?
N6 Ni3 C19 45.1(5) 2_655 2_655 ?
N7 Ni3 C19 104.1(4) 2_655 2_655 ?
N7 Ni3 C19 103.8(4) . 2_655 ?
N6 Ni3 C19 154.3(4) . 2_655 ?
N8 Ni3 C19 23.4(4) . 2_655 ?
Ni3 Ni3 N5 112.2(3) 2_655 . ?
N6 Ni3 N5 118.3(6) 2_655 . ?
N7 Ni3 N5 41.1(4) 2_655 . ?
N7 Ni3 N5 175.6(4) . . ?
N6 Ni3 N5 87.7(4) . . ?
N8 Ni3 N5 88.9(4) . . ?
C19 Ni3 N5 73.7(5) 2_655 . ?
Ni3 Ni3 C18 106.5(4) 2_655 2_655 ?
N6 Ni3 C18 36.7(5) 2_655 2_655 ?
N7 Ni3 C18 169.6(4) 2_655 2_655 ?
N7 Ni3 C18 46.3(4) . 2_655 ?
N6 Ni3 C18 133.5(4) . 2_655 ?
N8 Ni3 C18 49.3(4) . 2_655 ?
C19 Ni3 C18 71.9(5) 2_655 2_655 ?
N5 Ni3 C18 129.3(4) . 2_655 ?
Ni3 Ni3 C21 141.6(3) 2_655 2_655 ?
N6 Ni3 C21 78.6(5) 2_655 2_655 ?
N7 Ni3 C21 67.2(3) 2_655 2_655 ?
N7 Ni3 C21 130.5(4) . 2_655 ?
N6 Ni3 C21 116.1(4) . 2_655 ?
N8 Ni3 C21 61.5(4) . 2_655 ?
C19 Ni3 C21 38.2(3) 2_655 2_655 ?
N5 Ni3 C21 49.3(4) . 2_655 ?
C18 Ni3 C21 110.0(4) 2_655 2_655 ?
Ni3 Ni3 C22 115.1(3) 2_655 2_655 ?
N6 Ni3 C22 112.9(5) 2_655 2_655 ?
N7 Ni3 C22 36.6(3) 2_655 2_655 ?
N7 Ni3 C22 163.6(4) . 2_655 ?
N6 Ni3 C22 88.1(4) . 2_655 ?
N8 Ni3 C22 88.8(4) . 2_655 ?
C19 Ni3 C22 68.6(4) 2_655 2_655 ?
N5 Ni3 C22 18.7(4) . 2_655 ?
C18 Ni3 C22 136.4(4) 2_655 2_655 ?
C21 Ni3 C22 35.8(2) 2_655 2_655 ?
V3 O1 V1 100.69(15) . . ?
V3 O1 V2 144.92(19) . . ?
V1 O1 V2 101.57(15) . . ?
V7 O2 V8 104.85(16) . . ?
V7 O2 V6 142.64(19) . . ?
V8 O2 V6 102.23(15) . . ?
V7 O3 V5 105.03(17) 2_655 . ?
V7 O3 V6 144.91(18) 2_655 . ?
V5 O3 V6 101.43(15) . . ?
V5 O4 Ni1 153.5(2) . . ?
V4 O5 V5 99.62(15) . . ?
V4 O5 V6 144.07(17) . . ?
V5 O5 V6 100.30(15) . . ?
V3 O6 V4 100.65(15) . . ?
V3 O6 V2 143.69(18) . 2_655 ?
V4 O6 V2 102.42(16) . 2_655 ?
V1 O9 V6 145.65(18) . . ?
V1 O9 V8 100.46(14) . . ?
V6 O9 V8 102.61(15) . . ?
V4 O12 V1 146.4(2) . . ?
V4 O12 V3 96.16(15) . . ?
V1 O12 V3 93.22(14) . . ?
V8 O13 V1 101.07(15) . . ?
V8 O13 V2 140.17(18) . . ?
V1 O13 V2 99.72(15) . . ?
V5 O14 V4 98.77(15) . . ?
V5 O14 V2 145.13(18) . 2_655 ?
V4 O14 V2 102.18(16) . 2_655 ?
V8 O15 V5 141.2(2) . 2_655 ?
V8 O15 V7 93.01(15) . . ?
V5 O15 V7 90.00(15) 2_655 . ?
V1 O18 Ni2 149.4(2) . . ?
V7 O19 V7 123.4(3) 2_655 . ?
V3 O20 V3 127.6(3) . 2_655 ?
O18 V1 O1 111.77(17) . . ?
O18 V1 O12 105.98(16) . . ?
O1 V1 O12 84.77(14) . . ?
O18 V1 O9 111.12(17) . . ?
O1 V1 O9 136.50(15) . . ?
O12 V1 O9 90.31(14) . . ?
O18 V1 O13 110.75(15) . . ?
O1 V1 O13 80.09(14) . . ?
O12 V1 O13 143.22(14) . . ?
O9 V1 O13 78.49(13) . . ?
O8 V2 O14 109.29(17) . 2_655 ?
O8 V2 O13 108.70(17) . . ?
O14 V2 O13 92.07(14) 2_655 . ?
O8 V2 O1 110.93(18) . . ?
O14 V2 O1 139.61(14) 2_655 . ?
O13 V2 O1 78.61(13) . . ?
O8 V2 O6 109.08(17) . 2_655 ?
O14 V2 O6 76.44(14) 2_655 2_655 ?
O13 V2 O6 142.21(14) . 2_655 ?
O1 V2 O6 87.19(14) . 2_655 ?
O8 V2 V4 114.98(14) . 2_655 ?
O14 V2 V4 38.64(10) 2_655 2_655 ?
O13 V2 V4 121.85(10) . 2_655 ?
O1 V2 V4 116.48(10) . 2_655 ?
O6 V2 V4 37.80(10) 2_655 2_655 ?
O10 V3 O20 104.7(2) . . ?
O10 V3 O1 111.93(18) . . ?
O20 V3 O1 91.56(12) . . ?
O10 V3 O6 113.00(17) . . ?
O20 V3 O6 91.81(12) . . ?
O1 V3 O6 132.34(15) . . ?
O10 V3 O12 98.60(18) . . ?
O20 V3 O12 156.64(17) . . ?
O1 V3 O12 80.55(13) . . ?
O6 V3 O12 77.95(14) . . ?
O11 V4 O12 108.57(17) . . ?
O11 V4 O5 108.39(17) . . ?
O12 V4 O5 92.23(15) . . ?
O11 V4 O6 108.80(17) . . ?
O12 V4 O6 84.96(15) . . ?
O5 V4 O6 141.57(14) . . ?
O11 V4 O14 106.89(16) . . ?
O12 V4 O14 144.17(14) . . ?
O5 V4 O14 81.40(14) . . ?
O6 V4 O14 78.96(14) . . ?
O11 V4 V2 113.65(13) . 2_655 ?
O12 V4 V2 118.00(11) . 2_655 ?
O5 V4 V2 113.84(11) . 2_655 ?
O6 V4 V2 39.78(10) . 2_655 ?
O14 V4 V2 39.18(10) . 2_655 ?
O4 V5 O15 105.77(16) . 2_655 ?
O4 V5 O14 110.06(16) . . ?
O15 V5 O14 89.91(15) 2_655 . ?
O4 V5 O3 110.62(17) . . ?
O15 V5 O3 87.32(16) 2_655 . ?
O14 V5 O3 138.39(14) . . ?
O4 V5 O5 108.53(16) . . ?
O15 V5 O5 145.68(14) 2_655 . ?
O14 V5 O5 79.69(14) . . ?
O3 V5 O5 79.61(14) . . ?
O4 V5 V7 111.06(14) . 2_655 ?
O15 V5 V7 51.08(12) 2_655 2_655 ?
O14 V5 V7 129.27(10) . 2_655 ?
O3 V5 V7 36.67(11) . 2_655 ?
O5 V5 V7 113.09(10) . 2_655 ?
O16 V6 O9 107.77(18) . . ?
O16 V6 O3 111.19(18) . . ?
O9 V6 O3 140.98(15) . . ?
O16 V6 O5 107.90(16) . . ?
O9 V6 O5 91.71(14) . . ?
O3 V6 O5 78.66(14) . . ?
O16 V6 O2 108.95(16) . . ?
O9 V6 O2 77.23(13) . . ?
O3 V6 O2 88.10(14) . . ?
O5 V6 O2 143.15(14) . . ?
O17 V7 O19 104.2(2) . . ?
O17 V7 O3 115.33(19) . 2_655 ?
O19 V7 O3 94.98(13) . 2_655 ?
O17 V7 O2 115.53(19) . . ?
O19 V7 O2 95.53(13) . . ?
O3 V7 O2 123.26(16) 2_655 . ?
O17 V7 O15 95.9(2) . . ?
O19 V7 O15 159.84(17) . . ?
O3 V7 O15 76.85(14) 2_655 . ?
O2 V7 O15 74.61(13) . . ?
O17 V7 V5 105.98(17) . 2_655 ?
O19 V7 V5 132.21(10) . 2_655 ?
O3 V7 V5 38.30(10) 2_655 2_655 ?
O2 V7 V5 103.64(11) . 2_655 ?
O15 V7 V5 38.92(9) . 2_655 ?
O7 V8 O15 107.29(17) . . ?
O7 V8 O13 108.94(17) . . ?
O15 V8 O13 94.42(15) . . ?
O7 V8 O2 106.59(17) . . ?
O15 V8 O2 87.19(16) . . ?
O13 V8 O2 142.13(14) . . ?
O7 V8 O9 107.00(16) . . ?
O15 V8 O9 145.26(15) . . ?
O13 V8 O9 79.60(13) . . ?
O2 V8 O9 77.93(14) . . ?
C25 C18 C26 88.7(16) 2_655 2_655 ?
C25 C18 N6 113.1(15) 2_655 . ?
C26 C18 N6 72.9(8) 2_655 . ?
C25 C18 C17 36.4(11) 2_655 . ?
C26 C18 C17 123.3(13) 2_655 . ?
N6 C18 C17 109.6(10) . . ?
C25 C18 N7 60.4(10) 2_655 2_655 ?
C26 C18 N7 107.5(10) 2_655 2_655 ?
N6 C18 N7 65.3(7) . 2_655 ?
C17 C18 N7 44.3(7) . 2_655 ?
C25 C18 N8 136.3(17) 2_655 2_655 ?
C26 C18 N8 54.0(6) 2_655 2_655 ?
N6 C18 N8 40.8(5) . 2_655 ?
C17 C18 N8 150.1(10) . 2_655 ?
N7 C18 N8 105.9(7) 2_655 2_655 ?
C25 C18 Ni3 118.8(13) 2_655 2_655 ?
C26 C18 Ni3 101.4(7) 2_655 2_655 ?
N6 C18 Ni3 28.8(5) . 2_655 ?
C17 C18 Ni3 97.7(8) . 2_655 ?
N7 C18 Ni3 59.0(4) 2_655 2_655 ?
N8 C18 Ni3 58.5(4) 2_655 2_655 ?
C25 C18 H18A 75.8 2_655 . ?
C26 C18 H18A 37.5 2_655 . ?
N6 C18 H18A 110.4 . . ?
C17 C18 H18A 110.3 . . ?
N7 C18 H18A 125.7 2_655 . ?
N8 C18 H18A 83.7 2_655 . ?
Ni3 C18 H18A 138.5 2_655 . ?
C25 C18 H18B 132.6 2_655 . ?
C26 C18 H18B 123.8 2_655 . ?
N6 C18 H18B 109.4 . . ?
C17 C18 H18B 109.0 . . ?
N7 C18 H18B 124.8 2_655 . ?
N8 C18 H18B 90.2 2_655 . ?
Ni3 C18 H18B 89.9 2_655 . ?
H18A C18 H18B 108.1 . . ?
C19 N8 N6 91.8(11) 2_655 2_655 ?
C19 N8 C26 134.0(16) 2_655 . ?
N6 N8 C26 76.4(8) 2_655 . ?
C19 N8 C27 37.8(11) 2_655 . ?
N6 N8 C27 121.8(10) 2_655 . ?
C26 N8 C27 114.6(8) . . ?
C19 N8 C20 63.6(14) 2_655 2_655 ?
N6 N8 C20 113.3(11) 2_655 2_655 ?
C26 N8 C20 80.5(9) . 2_655 ?
C27 N8 C20 34.2(8) . 2_655 ?
C19 N8 C18 146.9(12) 2_655 2_655 ?
N6 N8 C18 55.1(6) 2_655 2_655 ?
C26 N8 C18 45.4(7) . 2_655 ?
C27 N8 C18 159.2(9) . 2_655 ?
C20 N8 C18 125.2(10) 2_655 2_655 ?
C19 N8 Ni3 79.1(11) 2_655 . ?
N6 N8 Ni3 31.9(5) 2_655 . ?
C26 N8 Ni3 106.3(6) . . ?
C27 N8 Ni3 116.7(7) . . ?
C20 N8 Ni3 129.3(9) 2_655 . ?
C18 N8 Ni3 72.2(5) 2_655 . ?
C19 N8 H8A 116.0 2_655 . ?
N6 N8 H8A 126.3 2_655 . ?
C26 N8 H8A 106.4 . . ?
C27 N8 H8A 105.9 . . ?
C20 N8 H8A 120.1 2_655 . ?
C18 N8 H8A 88.2 2_655 . ?
Ni3 N8 H8A 106.2 . . ?
N8 N6 Ni3 116.6(9) 2_655 2_655 ?
N8 N6 C19 34.3(6) 2_655 . ?
Ni3 N6 C19 99.4(9) 2_655 . ?
N8 N6 C18 84.1(9) 2_655 . ?
Ni3 N6 C18 114.5(9) 2_655 . ?
C19 N6 C18 118.4(10) . . ?
N8 N6 C26 59.8(6) 2_655 2_655 ?
Ni3 N6 C26 161.2(9) 2_655 2_655 ?
C19 N6 C26 85.9(7) . 2_655 ?
C18 N6 C26 48.4(8) . 2_655 ?
N8 N6 N7 146.7(8) 2_655 2_655 ?
Ni3 N6 N7 84.8(6) 2_655 2_655 ?
C19 N6 N7 173.7(10) . 2_655 ?
C18 N6 N7 63.3(7) . 2_655 ?
C26 N6 N7 91.5(6) 2_655 2_655 ?
N8 N6 C25 99.9(8) 2_655 2_655 ?
Ni3 N6 C25 119.4(7) 2_655 2_655 ?
C19 N6 C25 132.5(8) . 2_655 ?
C18 N6 C25 22.2(6) . 2_655 ?
C26 N6 C25 48.8(4) 2_655 2_655 ?
N7 N6 C25 47.0(4) 2_655 2_655 ?
N8 N6 Ni3 137.4(8) 2_655 . ?
Ni3 N6 Ni3 23.4(3) 2_655 . ?
C19 N6 Ni3 122.6(8) . . ?
C18 N6 Ni3 101.8(8) . . ?
C26 N6 Ni3 148.5(6) 2_655 . ?
N7 N6 Ni3 61.5(4) 2_655 . ?
C25 N6 Ni3 100.0(5) 2_655 . ?
N8 N6 H6A 115.3 2_655 . ?
Ni3 N6 H6A 117.0 2_655 . ?
C19 N6 H6A 103.8 . . ?
C18 N6 H6A 103.9 . . ?
C26 N6 H6A 78.6 2_655 . ?
N7 N6 H6A 70.0 2_655 . ?
C25 N6 H6A 83.1 2_655 . ?
Ni3 N6 H6A 104.2 . . ?
C17 N7 N5 68.3(7) 2_655 2_655 ?
C17 N7 C25 41.1(7) 2_655 . ?
N5 N7 C25 105.8(8) 2_655 . ?
C17 N7 C22 77.4(8) 2_655 . ?
N5 N7 C22 34.2(6) 2_655 . ?
C25 N7 C22 118.0(8) . . ?
C17 N7 C18 59.1(6) 2_655 2_655 ?
N5 N7 C18 106.1(9) 2_655 2_655 ?
C25 N7 C18 28.0(6) . 2_655 ?
C22 N7 C18 132.7(8) . 2_655 ?
C17 N7 N6 110.5(8) 2_655 2_655 ?
N5 N7 N6 129.0(7) 2_655 2_655 ?
C25 N7 N6 74.2(6) . 2_655 ?
C22 N7 N6 158.9(8) . 2_655 ?
C18 N7 N6 51.4(4) 2_655 2_655 ?
C17 N7 Ni3 125.7(9) 2_655 2_655 ?
N5 N7 Ni3 74.0(5) 2_655 2_655 ?
C25 N7 Ni3 125.4(7) . 2_655 ?
C22 N7 Ni3 92.5(6) . 2_655 ?
C18 N7 Ni3 98.0(6) 2_655 2_655 ?
N6 N7 Ni3 66.9(4) 2_655 2_655 ?
C17 N7 Ni3 123.9(8) 2_655 . ?
N5 N7 Ni3 99.2(6) 2_655 . ?
C25 N7 Ni3 102.4(6) . . ?
C22 N7 Ni3 122.8(7) . . ?
C18 N7 Ni3 74.7(5) 2_655 . ?
N6 N7 Ni3 36.4(3) 2_655 . ?
Ni3 N7 Ni3 30.54(13) 2_655 . ?
C17 N7 H7A 122.4 2_655 . ?
N5 N7 H7A 137.2 2_655 . ?
C25 N7 H7A 103.7 . . ?
C22 N7 H7A 103.8 . . ?
C18 N7 H7A 114.4 2_655 . ?
N6 N7 H7A 88.6 2_655 . ?
Ni3 N7 H7A 111.8 2_655 . ?
Ni3 N7 H7A 104.0 . . ?
C22 N5 C24 101.0(13) 2_655 2_655 ?
C22 N5 N7 78.1(11) 2_655 2_655 ?
C24 N5 N7 148.3(11) 2_655 2_655 ?
C22 N5 C30 36.8(9) 2_655 . ?
C24 N5 C30 76.0(10) 2_655 . ?
N7 N5 C30 113.6(10) 2_655 . ?
C22 N5 C17 89.6(12) 2_655 . ?
C24 N5 C17 98.6(11) 2_655 . ?
N7 N5 C17 50.0(7) 2_655 . ?
C30 N5 C17 119.7(10) . . ?
C22 N5 C21 50.9(9) 2_655 2_655 ?
C24 N5 C21 109.5(11) 2_655 2_655 ?
N7 N5 C21 94.6(8) 2_655 2_655 ?
C30 N5 C21 41.5(6) . 2_655 ?
C17 N5 C21 134.4(10) . 2_655 ?
C22 N5 Ni3 111.0(11) 2_655 . ?
C24 N5 Ni3 139.9(11) 2_655 . ?
N7 N5 Ni3 65.0(4) 2_655 . ?
C30 N5 Ni3 116.9(7) . . ?
C17 N5 Ni3 105.1(7) . . ?
C21 N5 Ni3 75.5(5) 2_655 . ?
C22 N5 H5A 136.5 2_655 . ?
C24 N5 H5A 37.0 2_655 . ?
N7 N5 H5A 141.5 2_655 . ?
C30 N5 H5A 104.2 . . ?
C17 N5 H5A 104.5 . . ?
C21 N5 H5A 119.7 2_655 . ?
Ni3 N5 H5A 104.7 . . ?
C30 C29 C27 119.5(10) . . ?
C30 C29 C21 49.2(7) . 2_655 ?
C27 C29 C21 71.2(8) . 2_655 ?
C30 C29 C19 93.3(8) . 2_655 ?
C27 C29 C19 32.8(6) . 2_655 ?
C21 C29 C19 53.4(6) 2_655 2_655 ?
C30 C29 H29A 107.3 . . ?
C27 C29 H29A 107.2 . . ?
C21 C29 H29A 134.4 2_655 . ?
C19 C29 H29A 99.8 2_655 . ?
C30 C29 H29B 107.6 . . ?
C27 C29 H29B 107.6 . . ?
C21 C29 H29B 117.0 2_655 . ?
C19 C29 H29B 138.6 2_655 . ?
H29A C29 H29B 107.0 . . ?
C20 C27 C19 102.9(18) 2_655 2_655 ?
C20 C27 N8 83.8(15) 2_655 . ?
C19 C27 N8 31.5(8) 2_655 . ?
C20 C27 C29 167.2(17) 2_655 . ?
C19 C27 C29 89.9(12) 2_655 . ?
N8 C27 C29 108.0(10) . . ?
C20 C27 C28 59.8(14) 2_655 . ?
C19 C27 C28 141.2(13) 2_655 . ?
N8 C27 C28 109.8(9) . . ?
C29 C27 C28 110.2(11) . . ?
C20 C27 C21 132.2(17) 2_655 2_655 ?
C19 C27 C21 58.8(9) 2_655 2_655 ?
N8 C27 C21 90.2(8) . 2_655 ?
C29 C27 C21 54.5(7) . 2_655 ?
C28 C27 C21 158.8(10) . 2_655 ?
C20 C27 H27A 69.7 2_655 . ?
C19 C27 H27A 92.9 2_655 . ?
N8 C27 H27A 109.5 . . ?
C29 C27 H27A 109.4 . . ?
C28 C27 H27A 109.8 . . ?
C21 C27 H27A 68.0 2_655 . ?
C20 C28 C27 38.0(9) 2_655 . ?
C20 C28 H28A 71.8 2_655 . ?
C27 C28 H28A 109.5 . . ?
C20 C28 H28B 128.1 2_655 . ?
C27 C28 H28B 109.2 . . ?
H28A C28 H28B 109.5 . . ?
C20 C28 H28C 118.9 2_655 . ?
C27 C28 H28C 109.8 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C32 C23 61.6(8) . 2_655 ?
C30 C32 C24 57.4(8) . 2_655 ?
C23 C32 C24 90.9(9) 2_655 2_655 ?
C30 C32 C22 27.1(6) . 2_655 ?
C23 C32 C22 47.4(7) 2_655 2_655 ?
C24 C32 C22 48.1(6) 2_655 2_655 ?
C30 C32 H32A 110.1 . . ?
C23 C32 H32A 148.4 2_655 . ?
C24 C32 H32A 62.3 2_655 . ?
C22 C32 H32A 110.3 2_655 . ?
C30 C32 H32B 109.7 . . ?
C23 C32 H32B 54.2 2_655 . ?
C24 C32 H32B 97.0 2_655 . ?
C22 C32 H32B 84.8 2_655 . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 108.7 . . ?
C23 C32 H32C 101.9 2_655 . ?
C24 C32 H32C 153.3 2_655 . ?
C22 C32 H32C 129.6 2_655 . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C22 C30 C21 85.3(11) 2_655 2_655 ?
C22 C30 N5 32.7(9) 2_655 . ?
C21 C30 N5 87.3(9) 2_655 . ?
C22 C30 C29 135.7(13) 2_655 . ?
C21 C30 C29 65.7(9) 2_655 . ?
N5 C30 C29 109.6(9) . . ?
C22 C30 C31 79.7(13) 2_655 . ?
C21 C30 C31 62.5(9) 2_655 . ?
N5 C30 C31 109.4(10) . . ?
C29 C30 C31 111.5(11) . . ?
C22 C30 C32 105.9(14) 2_655 . ?
C21 C30 C32 165.7(13) 2_655 . ?
N5 C30 C32 107.0(10) . . ?
C29 C30 C32 109.3(11) . . ?
C31 C30 C32 110.0(11) . . ?
C22 C30 C24 68.7(10) 2_655 2_655 ?
C21 C30 C24 121.2(10) 2_655 2_655 ?
N5 C30 C24 43.7(6) . 2_655 ?
C29 C30 C24 97.6(9) . 2_655 ?
C31 C30 C24 147.2(11) . 2_655 ?
C32 C30 C24 72.0(10) . 2_655 ?
C22 C30 C23 64.0(12) 2_655 2_655 ?
C21 C30 C23 113.5(11) 2_655 2_655 ?
N5 C30 C23 92.6(9) . 2_655 ?
C29 C30 C23 157.5(11) . 2_655 ?
C31 C30 C23 55.3(9) . 2_655 ?
C32 C30 C23 65.6(10) . 2_655 ?
C24 C30 C23 101.0(10) 2_655 2_655 ?
C21 C31 C23 113.7(10) 2_655 2_655 ?
C21 C31 C30 50.0(7) 2_655 . ?
C23 C31 C30 67.8(9) 2_655 . ?
C21 C31 C22 58.1(6) 2_655 2_655 ?
C23 C31 C22 58.0(8) 2_655 2_655 ?
C30 C31 C22 34.7(6) . 2_655 ?
C21 C31 H31A 60.7 2_655 . ?
C23 C31 H31A 143.9 2_655 . ?
C30 C31 H31A 109.3 . . ?
C22 C31 H31A 98.2 2_655 . ?
C21 C31 H31B 114.6 2_655 . ?
C23 C31 H31B 104.9 2_655 . ?
C30 C31 H31B 109.7 . . ?
C22 C31 H31B 142.4 2_655 . ?
H31A C31 H31B 109.5 . . ?
C21 C31 H31C 135.6 2_655 . ?
C23 C31 H31C 46.7 2_655 . ?
C30 C31 H31C 109.5 . . ?
C22 C31 H31C 83.5 2_655 . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C25 C17 N7 83.7(11) 2_655 2_655 ?
C25 C17 N5 137.5(13) 2_655 . ?
N7 C17 N5 61.7(8) 2_655 . ?
C25 C17 C18 28.9(10) 2_655 . ?
N7 C17 C18 76.6(9) 2_655 . ?
N5 C17 C18 113.1(11) . . ?
C25 C17 C22 141.0(14) 2_655 2_655 ?
N7 C17 C22 58.3(6) 2_655 2_655 ?
N5 C17 C22 30.0(6) . 2_655 ?
C18 C17 C22 131.1(10) . 2_655 ?
C25 C17 C24 157.0(15) 2_655 2_655 ?
N7 C17 C24 96.7(9) 2_655 2_655 ?
N5 C17 C24 35.1(6) . 2_655 ?
C18 C17 C24 128.8(11) . 2_655 ?
C22 C17 C24 49.2(7) 2_655 2_655 ?
C25 C17 H17A 83.5 2_655 . ?
N7 C17 H17A 76.1 2_655 . ?
N5 C17 H17A 108.9 . . ?
C18 C17 H17A 108.6 . . ?
C22 C17 H17A 79.5 2_655 . ?
C24 C17 H17A 119.0 2_655 . ?
C25 C17 H17B 104.9 2_655 . ?
N7 C17 H17B 170.7 2_655 . ?
N5 C17 H17B 109.0 . . ?
C18 C17 H17B 109.2 . . ?
C22 C17 H17B 113.7 2_655 . ?
C24 C17 H17B 74.0 2_655 . ?
H17A C17 H17B 107.9 . . ?
C18 C25 C17 114.7(19) 2_655 2_655 ?
C18 C25 N7 91.6(14) 2_655 . ?
C17 C25 N7 55.2(9) 2_655 . ?
C18 C25 C26 59.4(14) 2_655 . ?
C17 C25 C26 163.8(13) 2_655 . ?
N7 C25 C26 108.8(9) . . ?
C18 C25 N6 44.7(10) 2_655 2_655 ?
C17 C25 N6 108.7(11) 2_655 2_655 ?
N7 C25 N6 58.8(5) . 2_655 ?
C26 C25 N6 55.9(6) . 2_655 ?
C18 C25 H25A 63.8 2_655 . ?
C17 C25 H25A 76.6 2_655 . ?
N7 C25 H25A 109.8 . . ?
C26 C25 H25A 110.3 . . ?
N6 C25 H25A 104.0 2_655 . ?
C18 C25 H25B 158.4 2_655 . ?
C17 C25 H25B 80.7 2_655 . ?
N7 C25 H25B 109.9 . . ?
C26 C25 H25B 109.6 . . ?
N6 C25 H25B 147.6 2_655 . ?
H25A C25 H25B 108.4 . . ?
C18 C26 N8 80.6(9) 2_655 . ?
C18 C26 C25 31.9(7) 2_655 . ?
N8 C26 C25 109.6(9) . . ?
C18 C26 N6 58.7(6) 2_655 2_655 ?
N8 C26 N6 43.8(5) . 2_655 ?
C25 C26 N6 75.3(7) . 2_655 ?
C18 C26 C20 133.6(10) 2_655 2_655 ?
N8 C26 C20 53.8(7) . 2_655 ?
C25 C26 C20 154.3(10) . 2_655 ?
N6 C26 C20 80.0(7) 2_655 2_655 ?
C18 C26 H26A 134.5 2_655 . ?
N8 C26 H26A 110.1 . . ?
C25 C26 H26A 109.7 . . ?
N6 C26 H26A 97.9 2_655 . ?
C20 C26 H26A 66.2 2_655 . ?
C18 C26 H26B 109.2 2_655 . ?
N8 C26 H26B 109.6 . . ?
C25 C26 H26B 109.8 . . ?
N6 C26 H26B 149.2 2_655 . ?
C20 C26 H26B 95.3 2_655 . ?
H26A C26 H26B 108.0 . . ?
N5 C22 C30 110.5(16) 2_655 2_655 ?
N5 C22 N7 67.7(10) 2_655 . ?
C30 C22 N7 165.3(14) 2_655 . ?
N5 C22 C21 103.1(13) 2_655 . ?
C30 C22 C21 56.0(10) 2_655 . ?
N7 C22 C21 109.6(9) . . ?
N5 C22 C23 147.2(14) 2_655 . ?
C30 C22 C23 82.0(12) 2_655 . ?
N7 C22 C23 107.5(10) . . ?
C21 C22 C23 108.7(11) . . ?
N5 C22 C24 47.0(10) 2_655 . ?
C30 C22 C24 77.3(11) 2_655 . ?
N7 C22 C24 108.2(10) . . ?
C21 C22 C24 110.8(10) . . ?
C23 C22 C24 112.0(11) . . ?
N5 C22 C31 156.8(15) 2_655 2_655 ?
C30 C22 C31 65.6(9) 2_655 2_655 ?
N7 C22 C31 109.9(9) . 2_655 ?
C21 C22 C31 54.9(8) . 2_655 ?
C23 C22 C31 56.0(9) . 2_655 ?
C24 C22 C31 141.8(10) . 2_655 ?
N5 C22 C17 60.4(9) 2_655 2_655 ?
C30 C22 C17 148.5(13) 2_655 2_655 ?
N7 C22 C17 44.3(6) . 2_655 ?
C21 C22 C17 151.6(10) . 2_655 ?
C23 C22 C17 92.8(9) . 2_655 ?
C24 C22 C17 76.0(9) . 2_655 ?
C31 C22 C17 135.1(11) 2_655 2_655 ?
N5 C22 C32 108.7(12) 2_655 2_655 ?
C30 C22 C32 46.9(9) 2_655 2_655 ?
N7 C22 C32 147.7(9) . 2_655 ?
C21 C22 C32 102.5(9) . 2_655 ?
C23 C22 C32 57.1(9) . 2_655 ?
C24 C22 C32 61.7(8) . 2_655 ?
C31 C22 C32 85.6(9) 2_655 2_655 ?
C17 C22 C32 104.7(9) 2_655 2_655 ?
N5 C22 Ni3 50.4(9) 2_655 2_655 ?
C30 C22 Ni3 116.0(11) 2_655 2_655 ?
N7 C22 Ni3 51.0(5) . 2_655 ?
C21 C22 Ni3 69.6(6) . 2_655 ?
C23 C22 Ni3 151.3(9) . 2_655 ?
C24 C22 Ni3 94.4(8) . 2_655 ?
C31 C22 Ni3 109.1(7) 2_655 2_655 ?
C17 C22 Ni3 82.5(6) 2_655 2_655 ?
C32 C22 Ni3 151.3(9) 2_655 2_655 ?
C30 C21 C31 67.5(8) 2_655 2_655 ?
C30 C21 C19 120.9(12) 2_655 . ?
C31 C21 C19 171.4(12) 2_655 . ?
C30 C21 C22 38.7(6) 2_655 . ?
C31 C21 C22 67.0(9) 2_655 . ?
C19 C21 C22 117.7(11) . . ?
C30 C21 C29 65.1(8) 2_655 2_655 ?
C31 C21 C29 114.5(11) 2_655 2_655 ?
C19 C21 C29 72.8(8) . 2_655 ?
C22 C21 C29 98.1(9) . 2_655 ?
C30 C21 C27 118.4(11) 2_655 2_655 ?
C31 C21 C27 146.9(11) 2_655 2_655 ?
C19 C21 C27 33.4(6) . 2_655 ?
C22 C21 C27 139.7(10) . 2_655 ?
C29 C21 C27 54.2(6) 2_655 2_655 ?
C30 C21 N5 51.3(6) 2_655 2_655 ?
C31 C21 N5 92.8(9) 2_655 2_655 ?
C19 C21 N5 91.7(9) . 2_655 ?
C22 C21 N5 26.0(6) . 2_655 ?
C29 C21 N5 90.8(8) 2_655 2_655 ?
C27 C21 N5 116.7(8) 2_655 2_655 ?
C30 C21 Ni3 106.4(8) 2_655 2_655 ?
C31 C21 Ni3 120.4(9) 2_655 2_655 ?
C19 C21 Ni3 57.0(6) . 2_655 ?
C22 C21 Ni3 74.6(7) . 2_655 ?
C29 C21 Ni3 114.5(8) 2_655 2_655 ?
C27 C21 Ni3 90.3(6) 2_655 2_655 ?
N5 C21 Ni3 55.2(4) 2_655 2_655 ?
C30 C21 H21A 129.8 2_655 . ?
C31 C21 H21A 63.8 2_655 . ?
C19 C21 H21A 107.6 . . ?
C22 C21 H21A 107.9 . . ?
C29 C21 H21A 149.4 2_655 . ?
C27 C21 H21A 108.8 2_655 . ?
N5 C21 H21A 119.6 2_655 . ?
Ni3 C21 H21A 88.5 2_655 . ?
C30 C21 H21B 70.8 2_655 . ?
C31 C21 H21B 75.8 2_655 . ?
C19 C21 H21B 108.2 . . ?
C22 C21 H21B 107.9 . . ?
C29 C21 H21B 47.7 2_655 . ?
C27 C21 H21B 76.2 2_655 . ?
N5 C21 H21B 120.2 2_655 . ?
Ni3 C21 H21B 161.9 2_655 . ?
H21A C21 H21B 107.2 . . ?
C27 C20 C28 82.1(16) 2_655 2_655 ?
C27 C20 C19 39.2(11) 2_655 . ?
C28 C20 C19 113.0(16) 2_655 . ?
C27 C20 N8 62.0(12) 2_655 2_655 ?
C28 C20 N8 109.6(15) 2_655 2_655 ?
C19 C20 N8 29.7(6) . 2_655 ?
C27 C20 C26 107.7(16) 2_655 2_655 ?
C28 C20 C26 115.8(15) 2_655 2_655 ?
C19 C20 C26 72.7(9) . 2_655 ?
N8 C20 C26 45.7(6) 2_655 2_655 ?
C27 C20 H20A 127.1 2_655 . ?
C28 C20 H20A 77.7 2_655 . ?
C19 C20 H20A 109.3 . . ?
N8 C20 H20A 79.7 2_655 . ?
C26 C20 H20A 45.1 2_655 . ?
C27 C20 H20B 70.1 2_655 . ?
C28 C20 H20B 33.1 2_655 . ?
C19 C20 H20B 109.2 . . ?
N8 C20 H20B 123.6 2_655 . ?
C26 C20 H20B 148.2 2_655 . ?
H20A C20 H20B 109.5 . . ?
C27 C20 H20C 120.6 2_655 . ?
C28 C20 H20C 130.9 2_655 . ?
C19 C20 H20C 109.8 . . ?
N8 C20 H20C 119.5 2_655 . ?
C26 C20 H20C 98.9 2_655 . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N5 C24 C22 32.0(6) 2_655 . ?
N5 C24 C30 60.3(8) 2_655 2_655 ?
C22 C24 C30 34.0(5) . 2_655 ?
N5 C24 C32 102.2(11) 2_655 2_655 ?
C22 C24 C32 70.2(8) . 2_655 ?
C30 C24 C32 50.6(6) 2_655 2_655 ?
N5 C24 C17 46.3(7) 2_655 2_655 ?
C22 C24 C17 54.8(7) . 2_655 ?
C30 C24 C17 87.6(8) 2_655 2_655 ?
C32 C24 C17 97.8(10) 2_655 2_655 ?
N5 C24 H24A 81.1 2_655 . ?
C22 C24 H24A 109.2 . . ?
C30 C24 H24A 113.7 2_655 . ?
C32 C24 H24A 153.6 2_655 . ?
C17 C24 H24A 102.9 2_655 . ?
N5 C24 H24B 106.0 2_655 . ?
C22 C24 H24B 109.3 . . ?
C30 C24 H24B 130.8 2_655 . ?
C32 C24 H24B 95.0 2_655 . ?
C17 C24 H24B 60.3 2_655 . ?
H24A C24 H24B 109.4 . . ?
N5 C24 H24C 136.3 2_655 . ?
C22 C24 H24C 110.0 . . ?
C30 C24 H24C 77.2 2_655 . ?
C32 C24 H24C 50.5 2_655 . ?
C17 C24 H24C 147.5 2_655 . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N8 C19 C27 110.7(16) 2_655 2_655 ?
N8 C19 N6 53.9(9) 2_655 . ?
C27 C19 N6 146.0(15) 2_655 . ?
N8 C19 C20 86.7(15) 2_655 . ?
C27 C19 C20 37.9(11) 2_655 . ?
N6 C19 C20 108.1(11) . . ?
N8 C19 C21 160.6(18) 2_655 . ?
C27 C19 C21 87.8(11) 2_655 . ?
N6 C19 C21 113.3(10) . . ?
C20 C19 C21 112.3(13) . . ?
N8 C19 C29 131.3(16) 2_655 2_655 ?
C27 C19 C29 57.3(9) 2_655 2_655 ?
N6 C19 C29 156.6(12) . 2_655 ?
C20 C19 C29 95.2(11) . 2_655 ?
C21 C19 C29 53.8(7) . 2_655 ?
N8 C19 Ni3 77.5(11) 2_655 2_655 ?
C27 C19 Ni3 170.4(14) 2_655 2_655 ?
N6 C19 Ni3 35.4(5) . 2_655 ?
C20 C19 Ni3 141.6(11) . 2_655 ?
C21 C19 Ni3 84.7(8) . 2_655 ?
C29 C19 Ni3 121.5(8) 2_655 2_655 ?
N8 C19 H19A 68.8 2_655 . ?
C27 C19 H19A 89.4 2_655 . ?
N6 C19 H19A 108.0 . . ?
C20 C19 H19A 108.0 . . ?
C21 C19 H19A 106.9 . . ?
C29 C19 H19A 64.4 2_655 . ?
Ni3 C19 H19A 98.6 2_655 . ?
C31 C23 C22 66.0(9) 2_655 . ?
C31 C23 C30 56.9(7) 2_655 2_655 ?
C22 C23 C30 34.1(6) . 2_655 ?
C31 C23 C32 100.7(11) 2_655 2_655 ?
C22 C23 C32 75.4(9) . 2_655 ?
C30 C23 C32 52.8(6) 2_655 2_655 ?
C31 C23 H23A 58.8 2_655 . ?
C22 C23 H23A 109.3 . . ?
C30 C23 H23A 115.2 2_655 . ?
C32 C23 H23A 150.9 2_655 . ?
C31 C23 H23B 88.3 2_655 . ?
C22 C23 H23B 109.5 . . ?
C30 C23 H23B 76.2 2_655 . ?
C32 C23 H23B 45.1 2_655 . ?
H23A C23 H23B 109.5 . . ?
C31 C23 H23C 161.7 2_655 . ?
C22 C23 H23C 109.6 . . ?
C30 C23 H23C 129.8 2_655 . ?
C32 C23 H23C 94.9 2_655 . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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
N3 C9 1.444(10) . ?
N3 C14 1.480(9) . ?
N3 Ni2 2.098(8) . ?
N3 H3A 0.9000 . ?
N3 H4'A 0.9773 . ?
N4 C11 1.468(9) . ?
N4 C10 1.469(8) . ?
N4 Ni2 2.122(7) . ?
N4 H4A 0.8999 . ?
N4 H3'A 1.1168 . ?
C9 H9A 0.9601 . ?
C9 H9B 0.9600 . ?
C9 H10A 0.9544 . ?
C9 H10B 0.7713 . ?
C10 H10C 0.9601 . ?
C10 H10D 0.9600 . ?
C11 C12 1.505(9) . ?
C11 C13 1.510(9) . ?
C11 H11A 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.513(9) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.511(9) . ?
C14 C16 1.512(9) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
N3' C9' 1.479(9) . ?
N3' C14' 1.487(9) . ?
N3' Ni2 2.070(8) . ?
N3' H4A 1.1200 . ?
N3' H3'A 0.9000 . ?
N4' C10' 1.484(10) . ?
N4' C11' 1.500(10) . ?
N4' Ni2 2.088(9) . ?
N4' H3A 0.9374 . ?
N4' H4'A 0.9000 . ?
C9' H10D 1.1558 . ?
C9' H9'A 0.9600 . ?
C9' H9'B 0.9601 . ?
C10' H9A 1.0965 . ?
C10' H9B 1.1523 . ?
C10' H10A 0.9601 . ?
C10' H10B 0.9600 . ?
C11' C12' 1.510(10) . ?
C11' C13' 1.516(10) . ?
C11' H11B 1.0000 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13' C14' 1.519(10) . ?
C13' H13C 0.9900 . ?
C13' H13D 0.9900 . ?
C14' C16' 1.519(9) . ?
C14' C15' 1.561(9) . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
N1 C6 1.471(9) . ?
N1 C1 1.504(8) . ?
N1 Ni1 2.099(6) . ?
N1 H1A 0.9001 . ?
N2 C2 1.451(9) . ?
N2 C3 1.466(8) . ?
N2 Ni1 2.086(7) . ?
N2 H2A 0.8996 . ?
C1 H1B 0.9578 . ?
C1 H1C 0.9510 . ?
C2 H2B 0.9404 . ?
C2 H2C 0.9502 . ?
C3 C5 1.505(9) . ?
C3 C4 1.514(9) . ?
C3 H3B 1.0000 . ?
C4 H4B 0.9598 . ?
C4 H4C 0.9601 . ?
C4 H4D 0.9601 . ?
C5 C6 1.504(9) . ?
C5 H5B 0.9603 . ?
C5 H5C 0.9598 . ?
C6 C7 1.507(9) . ?
C6 C8 1.523(9) . ?
C7 H7B 0.9601 . ?
C7 H7C 0.9600 . ?
C7 H7D 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9597 . ?
C8 H8D 0.9601 . ?
C8 H8'B 0.6542 . ?
C8 H8'C 1.0850 . ?
N2' C3' 1.471(10) . ?
N2' C2' 1.480(10) . ?
N2' Ni1 2.085(9) . ?
N2' H2'A 0.8999 . ?
C6' N1' 1.491(10) . ?
C6' C5' 1.498(10) . ?
C6' C7' 1.500(10) . ?
C6' C8' 1.521(10) . ?
C7' H7'A 0.9601 . ?
C7' H7'B 0.9597 . ?
C7' H7'C 0.9601 . ?
C8' H8D 0.4961 . ?
C8' H8'A 0.9599 . ?
C8' H8'B 0.9599 . ?
C8' H8'C 0.9602 . ?
C1' N1' 1.473(10) . ?
C1' H1'C 0.9707 . ?
C1' H1'D 0.9683 . ?
C2' H2'C 0.9518 . ?
C2' H2'D 0.9504 . ?
C3' C5' 1.497(10) . ?
C3' C4' 1.503(10) . ?
C3' H5C 1.2492 . ?
C3' H3'B 1.0000 . ?
C4' H5C 0.5500 . ?
C4' H4'B 0.9602 . ?
C4' H4'C 0.9600 . ?
C4' H4'D 0.9600 . ?
C5' H5'A 0.9900 . ?
C5' H5'B 0.9900 . ?
N1' Ni1 2.107(10) . ?
N1' H1'A 0.8999 . ?
Ni1 O4 2.051(3) 5_656 ?
Ni1 O4 2.051(3) . ?
Ni1 N2' 2.085(9) 5_656 ?
Ni1 N2 2.086(7) 5_656 ?
Ni1 N1 2.099(6) 5_656 ?
Ni1 N1' 2.107(10) 5_656 ?
Ni2 N3' 2.070(8) 2 ?
Ni2 N4' 2.088(9) 2 ?
Ni2 N3 2.098(8) 2 ?
Ni2 O18 2.101(3) . ?
Ni2 O18 2.101(3) 2 ?
Ni2 N4 2.122(7) 2 ?
Ni3 Ni3 1.036(3) 2_655 ?
Ni3 N6 1.193(8) 2_655 ?
Ni3 N7 1.925(8) 2_655 ?
Ni3 N7 2.001(7) . ?
Ni3 N6 2.017(8) . ?
Ni3 N8 2.017(7) . ?
Ni3 C19 2.029(13) 2_655 ?
Ni3 N5 2.042(7) . ?
Ni3 C18 2.251(12) 2_655 ?
O1 V3 1.873(3) . ?
O1 V1 1.903(3) . ?
O1 V2 1.964(3) . ?
O2 V7 1.874(3) . ?
O2 V8 1.931(3) . ?
O2 V6 1.965(3) . ?
O3 V7 1.851(4) 2_655 ?
O3 V5 1.921(3) . ?
O3 V6 1.955(3) . ?
O4 V5 1.615(3) . ?
O5 V4 1.865(3) . ?
O5 V5 1.951(3) . ?
O5 V6 1.956(3) . ?
O6 V3 1.894(3) . ?
O6 V4 1.895(3) . ?
O6 V2 1.979(3) 2_655 ?
O7 V8 1.594(3) . ?
O8 V2 1.591(4) . ?
O9 V1 1.915(3) . ?
O9 V6 1.941(3) . ?
O9 V8 1.946(3) . ?
O10 V3 1.604(4) . ?
O11 V4 1.595(3) . ?
O12 V4 1.822(3) . ?
O12 V1 1.906(3) . ?
O12 V3 2.090(4) . ?
O13 V8 1.884(3) . ?
O13 V1 1.959(3) . ?
O13 V2 1.959(3) . ?
O14 V5 1.911(3) . ?
O14 V4 1.929(3) . ?
O14 V2 1.952(3) 2_655 ?
O15 V8 1.797(3) . ?
O15 V5 1.881(3) 2_655 ?
O15 V7 2.329(4) . ?
O16 V6 1.599(3) . ?
O17 V7 1.597(4) . ?
O18 V1 1.627(3) . ?
O19 V7 1.844(3) 2_655 ?
O19 V7 1.844(3) . ?
O20 V3 1.833(2) . ?
O20 V3 1.833(2) 2_655 ?
V2 O14 1.952(3) 2_655 ?
V2 O6 1.979(3) 2_655 ?
V2 V4 3.0199(13) 2_655 ?
V4 V2 3.0199(13) 2_655 ?
V5 O15 1.881(3) 2_655 ?
V5 V7 2.9935(14) 2_655 ?
V7 O3 1.851(4) 2_655 ?
V7 V5 2.9935(15) 2_655 ?
C18 C25 0.793(15) 2_655 ?
C18 N6 1.477(9) . ?
C18 C17 1.490(9) . ?
C18 N7 1.689(15) 2_655 ?
C18 N8 1.792(15) 2_655 ?
C18 Ni3 2.251(12) 2_655 ?
C18 H18A 0.9600 . ?
C18 H18B 0.9599 . ?
N8 C19 0.822(13) 2_655 ?
N8 N6 1.178(12) 2_655 ?
N8 C26 1.470(9) . ?
N8 C27 1.471(9) . ?
N8 C20 1.66(2) 2_655 ?
N8 C18 1.792(15) 2_655 ?
N8 H8A 0.8999 . ?
N6 N8 1.178(12) 2_655 ?
N6 Ni3 1.193(8) 2_655 ?
N6 C19 1.457(9) . ?
N6 C26 1.653(13) 2_655 ?
N6 N7 1.718(12) 2_655 ?
N6 C25 1.932(14) 2_655 ?
N6 H6A 0.9003 . ?
N7 C17 1.213(15) 2_655 ?
N7 N5 1.396(14) 2_655 ?
N7 C25 1.469(9) . ?
N7 C22 1.476(9) . ?
N7 C18 1.689(15) 2_655 ?
N7 N6 1.718(12) 2_655 ?
N7 Ni3 1.925(8) 2_655 ?
N7 H7A 0.8999 . ?
N5 C24 1.170(15) 2_655 ?
N5 N7 1.396(14) 2_655 ?
N5 C30 1.471(9) . ?
N5 C17 1.472(9) . ?
N5 C21 1.884(15) 2_655 ?
N5 H5A 0.9001 . ?
C29 C30 1.497(9) . ?
C29 C27 1.498(9) . ?
C29 C21 1.504(18) 2_655 ?
C29 H29A 0.9602 . ?
C29 H29B 0.9600 . ?
C27 C28 1.504(10) . ?
C27 H27A 0.9601 . ?
C28 C20 1.31(2) 2_655 ?
C28 H28A 0.9600 . ?
C28 H28B 0.9599 . ?
C28 H28C 0.9602 . ?
C32 C30 1.507(9) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9599 . ?
C32 H32C 0.9602 . ?
C30 C31 1.506(9) . ?
C30 C24 1.644(17) 2_655 ?
C30 C23 1.664(18) 2_655 ?
C31 C21 1.446(17) 2_655 ?
C31 C23 1.48(2) 2_655 ?
C31 C22 1.627(17) 2_655 ?
C31 H31A 0.9600 . ?
C31 H31B 0.9601 . ?
C31 H31C 0.9600 . ?
C17 C25 0.972(14) 2_655 ?
C17 N7 1.213(15) 2_655 ?
C17 H17A 0.9599 . ?
C17 H17B 0.9601 . ?
C25 C18 0.793(15) 2_655 ?
C25 C17 0.972(14) 2_655 ?
C25 C26 1.501(9) . ?
C25 N6 1.932(14) 2_655 ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C26 N6 1.653(13) 2_655 ?
C26 H26A 0.9600 . ?
C26 H26B 0.9598 . ?
C22 C21 1.501(9) . ?
C22 C23 1.510(19) . ?
C22 C24 1.570(18) . ?
C22 C31 1.627(17) 2_655 ?
C21 C31 1.446(17) 2_655 ?
C21 C19 1.497(9) . ?
C21 C29 1.504(18) 2_655 ?
C21 N5 1.884(15) 2_655 ?
C21 H21A 0.9600 . ?
C21 H21B 0.9599 . ?
C20 C28 1.31(2) 2_655 ?
C20 C19 1.48(2) . ?
C20 N8 1.66(2) 2_655 ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C24 N5 1.170(15) 2_655 ?
C24 C30 1.644(17) 2_655 ?
C24 H24A 0.9601 . ?
C24 H24B 0.9598 . ?
C24 H24C 0.9598 . ?
C19 N8 0.822(13) 2_655 ?
C19 Ni3 2.029(13) 2_655 ?
C19 H19A 0.9601 . ?
C23 C31 1.48(2) 2_655 ?
C23 C30 1.664(18) 2_655 ?
C23 H23A 0.9602 . ?
C23 H23B 0.9599 . ?
C23 H23C 0.9599 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N8 H8A O16 0.90 1.92 2.809(10) 169.7 3
N6 H6A O10 0.90 2.12 3.014(11) 171.1 .
N7 H7A O10 0.90 1.93 2.798(9) 160.1 2_655
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
C10 N4 C11 C12 61.6(12) . . . . ?
Ni2 N4 C11 C12 -166.2(7) . . . . ?
C10 N4 C11 C13 -176.8(9) . . . . ?
Ni2 N4 C11 C13 -44.5(12) . . . . ?
N4 C11 C13 C14 66.2(13) . . . . ?
C12 C11 C13 C14 -170.2(10) . . . . ?
C9 N3 C14 C15 75(2) . . . . ?
Ni2 N3 C14 C15 -52(3) . . . . ?
C9 N3 C14 C16 -59(3) . . . . ?
Ni2 N3 C14 C16 173.9(17) . . . . ?
C9 N3 C14 C13 -179.7(19) . . . . ?
Ni2 N3 C14 C13 53(3) . . . . ?
C11 C13 C14 N3 -71.8(15) . . . . ?
C11 C13 C14 C15 53.0(12) . . . . ?
C11 C13 C14 C16 164.0(10) . . . . ?
C10' N4' C11' C12' -74(4) . . . . ?
Ni2 N4' C11' C12' 159.3(19) . . . . ?
C10' N4' C11' C13' 165(3) . . . . ?
Ni2 N4' C11' C13' 38(3) . . . . ?
N4' C11' C13' C14' -64(2) . . . . ?
C12' C11' C13' C14' 174.7(12) . . . . ?
C9' N3' C14' C16' 57.5(13) . . . . ?
Ni2 N3' C14' C16' 177.4(8) . . . . ?
C9' N3' C14' C13' 177.1(10) . . . . ?
Ni2 N3' C14' C13' -62.9(10) . . . . ?
C9' N3' C14' C15' -81(2) . . . . ?
Ni2 N3' C14' C15' 39(2) . . . . ?
C11' C13' C14' N3' 80.2(14) . . . . ?
C11' C13' C14' C16' -161.4(12) . . . . ?
C11' C13' C14' C15' -69.6(13) . . . . ?
C2 N2 C3 C5 -179.2(9) . . . . ?
Ni1 N2 C3 C5 -56.6(9) . . . . ?
C2 N2 C3 C4 54.7(11) . . . . ?
Ni1 N2 C3 C4 177.3(7) . . . . ?
N2 C3 C5 C6 77.3(11) . . . . ?
C4 C3 C5 C6 -157.2(10) . . . . ?
C1 N1 C6 C5 174.5(8) . . . . ?
Ni1 N1 C6 C5 43.2(9) . . . . ?
C1 N1 C6 C7 -69.7(11) . . . . ?
Ni1 N1 C6 C7 159.1(7) . . . . ?
C1 N1 C6 C8 59.6(12) . . . . ?
Ni1 N1 C6 C8 -71.6(11) . . . . ?
C3 C5 C6 N1 -65.6(10) . . . . ?
C3 C5 C6 C7 174.7(9) . . . . ?
C3 C5 C6 C8 56.6(11) . . . . ?
C2' N2' C3' C5' 175.2(17) . . . . ?
Ni1 N2' C3' C5' -59(2) . . . . ?
C2' N2' C3' C4' 69(3) . . . . ?
Ni1 N2' C3' C4' -165(2) . . . . ?
N2' C3' C5' C6' 80(3) . . . . ?
C4' C3' C5' C6' -168(3) . . . . ?
N1' C6' C5' C3' -72(3) . . . . ?
C7' C6' C5' C3' 171(3) . . . . ?
C8' C6' C5' C3' 53(3) . . . . ?
C5' C6' N1' C1' 173(2) . . . . ?
C7' C6' N1' C1' -61(2) . . . . ?
C8' C6' N1' C1' 74(3) . . . . ?
C5' C6' N1' Ni1 44(2) . . . . ?
C7' C6' N1' Ni1 169.9(16) . . . . ?
C8' C6' N1' Ni1 -55(3) . . . . ?
C3' N2' Ni1 O4 -52.8(16) . . . 5_656 ?
C2' N2' Ni1 O4 76.6(13) . . . 5_656 ?
C3' N2' Ni1 O4 127.2(16) . . . . ?
C2' N2' Ni1 O4 -103.4(13) . . . . ?
C3' N2' Ni1 N2' 135(100) . . . 5_656 ?
C2' N2' Ni1 N2' -96(100) . . . 5_656 ?
C3' N2' Ni1 N2 -144(2) . . . . ?
C2' N2' Ni1 N2 -14.5(11) . . . . ?
C3' N2' Ni1 N2 36(2) . . . 5_656 ?
C2' N2' Ni1 N2 165.5(11) . . . 5_656 ?
C3' N2' Ni1 N1 38.0(16) . . . . ?
C2' N2' Ni1 N1 167.4(15) . . . . ?
C3' N2' Ni1 N1 -142.0(16) . . . 5_656 ?
C2' N2' Ni1 N1 -12.6(15) . . . 5_656 ?
C3' N2' Ni1 N1' -139.9(17) . . . 5_656 ?
C2' N2' Ni1 N1' -10.6(14) . . . 5_656 ?
C3' N2' Ni1 N1' 40.1(17) . . . . ?
C2' N2' Ni1 N1' 169.4(14) . . . . ?
C2 N2 Ni1 O4 73.6(7) . . . 5_656 ?
C3 N2 Ni1 O4 -55.7(6) . . . 5_656 ?
C2 N2 Ni1 O4 -106.4(7) . . . . ?
C3 N2 Ni1 O4 124.3(6) . . . . ?
C2 N2 Ni1 N2' 163.4(15) . . . . ?
C3 N2 Ni1 N2' 34.0(12) . . . . ?
C2 N2 Ni1 N2' -16.6(15) . . . 5_656 ?
C3 N2 Ni1 N2' -146.0(12) . . . 5_656 ?
C2 N2 Ni1 N2 -130(78) . . . 5_656 ?
C3 N2 Ni1 N2 101(78) . . . 5_656 ?
C2 N2 Ni1 N1 165.2(7) . . . . ?
C3 N2 Ni1 N1 35.8(6) . . . . ?
C2 N2 Ni1 N1 -14.8(7) . . . 5_656 ?
C3 N2 Ni1 N1 -144.2(6) . . . 5_656 ?
C2 N2 Ni1 N1' -12.1(9) . . . 5_656 ?
C3 N2 Ni1 N1' -141.4(9) . . . 5_656 ?
C2 N2 Ni1 N1' 167.9(9) . . . . ?
C3 N2 Ni1 N1' 38.6(9) . . . . ?
C6 N1 Ni1 O4 60.3(7) . . . 5_656 ?
C1 N1 Ni1 O4 -75.0(6) . . . 5_656 ?
C6 N1 Ni1 O4 -119.7(7) . . . . ?
C1 N1 Ni1 O4 105.0(6) . . . . ?
C6 N1 Ni1 N2' -31.0(8) . . . . ?
C1 N1 Ni1 N2' -166.2(8) . . . . ?
C6 N1 Ni1 N2' 149.0(8) . . . 5_656 ?
C1 N1 Ni1 N2' 13.8(8) . . . 5_656 ?
C6 N1 Ni1 N2 -31.8(7) . . . . ?
C1 N1 Ni1 N2 -167.1(6) . . . . ?
C6 N1 Ni1 N2 148.2(7) . . . 5_656 ?
C1 N1 Ni1 N2 12.9(6) . . . 5_656 ?
C6 N1 Ni1 N1 -137(100) . . . 5_656 ?
C1 N1 Ni1 N1 88(100) . . . 5_656 ?
C6 N1 Ni1 N1' -26.2(17) . . . 5_656 ?
C1 N1 Ni1 N1' -161.4(13) . . . 5_656 ?
C6 N1 Ni1 N1' 153.8(17) . . . . ?
C1 N1 Ni1 N1' 18.6(13) . . . . ?
C1' N1' Ni1 O4 -71.1(17) . . . 5_656 ?
C6' N1' Ni1 O4 60.0(15) . . . 5_656 ?
C1' N1' Ni1 O4 108.9(17) . . . . ?
C6' N1' Ni1 O4 -120.0(15) . . . . ?
C1' N1' Ni1 N2' -162.9(17) . . . . ?
C6' N1' Ni1 N2' -31.8(16) . . . . ?
C1' N1' Ni1 N2' 17.1(17) . . . 5_656 ?
C6' N1' Ni1 N2' 148.2(16) . . . 5_656 ?
C1' N1' Ni1 N2 -165.0(15) . . . . ?
C6' N1' Ni1 N2 -33.8(17) . . . . ?
C1' N1' Ni1 N2 15.0(15) . . . 5_656 ?
C6' N1' Ni1 N2 146.2(17) . . . 5_656 ?
C1' N1' Ni1 N1 -159(3) . . . . ?
C6' N1' Ni1 N1 -27.3(11) . . . . ?
C1' N1' Ni1 N1 21(3) . . . 5_656 ?
C6' N1' Ni1 N1 152.7(11) . . . 5_656 ?
C1' N1' Ni1 N1' 114(100) . . . 5_656 ?
C6' N1' Ni1 N1' -115(100) . . . 5_656 ?
C9' N3' Ni2 N3' -10.4(4) . . . 2 ?
C14' N3' Ni2 N3' -137.3(10) . . . 2 ?
C9' N3' Ni2 N4' -12(5) . . . 2 ?
C14' N3' Ni2 N4' -139(5) . . . 2 ?
C9' N3' Ni2 N4' 169.3(13) . . . . ?
C14' N3' Ni2 N4' 42.3(13) . . . . ?
C9' N3' Ni2 N3 -13(11) . . . 2 ?
C14' N3' Ni2 N3 -140(11) . . . 2 ?
C9' N3' Ni2 N3 169.4(11) . . . . ?
C14' N3' Ni2 N3 42.4(12) . . . . ?
C9' N3' Ni2 O18 74.4(6) . . . . ?
C14' N3' Ni2 O18 -52.5(7) . . . . ?
C9' N3' Ni2 O18 -104.3(6) . . . 2 ?
C14' N3' Ni2 O18 128.8(7) . . . 2 ?
C9' N3' Ni2 N4 -13.7(7) . . . 2 ?
C14' N3' Ni2 N4 -140.6(7) . . . 2 ?
C9' N3' Ni2 N4 159.8(18) . . . . ?
C14' N3' Ni2 N4 32.8(11) . . . . ?
C10' N4' Ni2 N3' -170(2) . . . . ?
C11' N4' Ni2 N3' -30(3) . . . . ?
C10' N4' Ni2 N3' -169(4) . . . 2 ?
C11' N4' Ni2 N3' -28(7) . . . 2 ?
C10' N4' Ni2 N4' 9.9(16) . . . 2 ?
C11' N4' Ni2 N4' 150(4) . . . 2 ?
C10' N4' Ni2 N3 10(3) . . . 2 ?
C11' N4' Ni2 N3 150.4(18) . . . 2 ?
C10' N4' Ni2 N3 10(13) . . . . ?
C11' N4' Ni2 N3 151(17) . . . . ?
C10' N4' Ni2 O18 -77(2) . . . . ?
C11' N4' Ni2 O18 63(3) . . . . ?
C10' N4' Ni2 O18 104(2) . . . 2 ?
C11' N4' Ni2 O18 -115(3) . . . 2 ?
C10' N4' Ni2 N4 34(12) . . . 2 ?
C11' N4' Ni2 N4 175(8) . . . 2 ?
C10' N4' Ni2 N4 -167(2) . . . . ?
C11' N4' Ni2 N4 -27(2) . . . . ?
C9 N3 Ni2 N3' -161.3(15) . . . . ?
C14 N3 Ni2 N3' -37(3) . . . . ?
C9 N3 Ni2 N3' -159(10) . . . 2 ?
C14 N3 Ni2 N3' -34(13) . . . 2 ?
C9 N3 Ni2 N4' 19(3) . . . 2 ?
C14 N3 Ni2 N4' 143.3(15) . . . 2 ?
C9 N3 Ni2 N4' -161(16) . . . . ?
C14 N3 Ni2 N4' -36(12) . . . . ?
C9 N3 Ni2 N3 18.9(11) . . . 2 ?
C14 N3 Ni2 N3 143(3) . . . 2 ?
C9 N3 Ni2 O18 -67.9(17) . . . . ?
C14 N3 Ni2 O18 56(2) . . . . ?
C9 N3 Ni2 O18 113.7(17) . . . 2 ?
C14 N3 Ni2 O18 -122(2) . . . 2 ?
C9 N3 Ni2 N4 31(5) . . . 2 ?
C14 N3 Ni2 N4 155.2(19) . . . 2 ?
C9 N3 Ni2 N4 -158.1(17) . . . . ?
C14 N3 Ni2 N4 -34(2) . . . . ?
C11 N4 Ni2 N3' -159.1(19) . . . . ?
C10 N4 Ni2 N3' -21.9(11) . . . . ?
C11 N4 Ni2 N3' -149.9(8) . . . 2 ?
C10 N4 Ni2 N3' -12.8(7) . . . 2 ?
C11 N4 Ni2 N4' 6(10) . . . 2 ?
C10 N4 Ni2 N4' 143(10) . . . 2 ?
C11 N4 Ni2 N4' 30.5(14) . . . . ?
C10 N4 Ni2 N4' 167.6(13) . . . . ?
C11 N4 Ni2 N3 19(4) . . . 2 ?
C10 N4 Ni2 N3 156(4) . . . 2 ?
C11 N4 Ni2 N3 30.1(12) . . . . ?
C10 N4 Ni2 N3 167.2(11) . . . . ?
C11 N4 Ni2 O18 -64.0(8) . . . . ?
C10 N4 Ni2 O18 73.1(6) . . . . ?
C11 N4 Ni2 O18 117.9(8) . . . 2 ?
C10 N4 Ni2 O18 -104.9(6) . . . 2 ?
C11 N4 Ni2 N4 -152.2(9) . . . 2 ?
C10 N4 Ni2 N4 -15.1(5) . . . 2 ?
O4 Ni1 O4 V5 15(100) 5_656 . . . ?
N2' Ni1 O4 V5 -51.3(7) . . . . ?
N2' Ni1 O4 V5 128.7(7) 5_656 . . . ?
N2 Ni1 O4 V5 -77.9(5) . . . . ?
N2 Ni1 O4 V5 102.1(5) 5_656 . . . ?
N1 Ni1 O4 V5 15.9(6) . . . . ?
N1 Ni1 O4 V5 -164.1(6) 5_656 . . . ?
N1' Ni1 O4 V5 -138.8(7) 5_656 . . . ?
N1' Ni1 O4 V5 41.2(7) . . . . ?
N3' Ni2 O18 V1 -85.1(5) . . . . ?
N3' Ni2 O18 V1 -18.0(5) 2 . . . ?
N4' Ni2 O18 V1 82.2(8) 2 . . . ?
N4' Ni2 O18 V1 174.8(8) . . . . ?
N3 Ni2 O18 V1 90.0(7) 2 . . . ?
N3 Ni2 O18 V1 167.0(7) . . . . ?
O18 Ni2 O18 V1 -51.6(4) 2 . . . ?
N4 Ni2 O18 V1 1.4(5) 2 . . . ?
N4 Ni2 O18 V1 -104.4(5) . . . . ?
Ni2 O18 V1 O1 -144.8(4) . . . . ?
Ni2 O18 V1 O12 -54.1(4) . . . . ?
Ni2 O18 V1 O9 42.6(4) . . . . ?
Ni2 O18 V1 O13 127.9(4) . . . . ?
V3 O1 V1 O18 97.93(18) . . . . ?
V2 O1 V1 O18 -109.35(17) . . . . ?
V3 O1 V1 O12 -7.20(16) . . . . ?
V2 O1 V1 O12 145.51(16) . . . . ?
V3 O1 V1 O9 -92.1(2) . . . . ?
V2 O1 V1 O9 60.6(2) . . . . ?
V3 O1 V1 O13 -153.56(17) . . . . ?
V2 O1 V1 O13 -0.84(14) . . . . ?
V4 O12 V1 O18 149.0(4) . . . . ?
V3 O12 V1 O18 -104.83(17) . . . . ?
V4 O12 V1 O1 -99.8(4) . . . . ?
V3 O12 V1 O1 6.35(14) . . . . ?
V4 O12 V1 O9 36.9(4) . . . . ?
V3 O12 V1 O9 143.07(14) . . . . ?
V4 O12 V1 O13 -34.1(5) . . . . ?
V3 O12 V1 O13 72.1(3) . . . . ?
V6 O9 V1 O18 -125.0(3) . . . . ?
V8 O9 V1 O18 103.40(17) . . . . ?
V6 O9 V1 O1 65.0(4) . . . . ?
V8 O9 V1 O1 -66.6(2) . . . . ?
V6 O9 V1 O12 -17.7(3) . . . . ?
V8 O9 V1 O12 -149.31(15) . . . . ?
V6 O9 V1 O13 127.0(3) . . . . ?
V8 O9 V1 O13 -4.60(14) . . . . ?
V8 O13 V1 O18 -103.67(19) . . . . ?
V2 O13 V1 O18 110.50(18) . . . . ?
V8 O13 V1 O1 146.67(17) . . . . ?
V2 O13 V1 O1 0.84(14) . . . . ?
V8 O13 V1 O12 79.5(3) . . . . ?
V2 O13 V1 O12 -66.3(3) . . . . ?
V8 O13 V1 O9 4.76(14) . . . . ?
V2 O13 V1 O9 -141.08(16) . . . . ?
V8 O13 V2 O8 130.1(3) . . . . ?
V1 O13 V2 O8 -109.27(19) . . . . ?
V8 O13 V2 O14 18.9(3) . . . 2_655 ?
V1 O13 V2 O14 139.56(14) . . . 2_655 ?
V8 O13 V2 O1 -121.4(3) . . . . ?
V1 O13 V2 O1 -0.81(14) . . . . ?
V8 O13 V2 O6 -51.4(4) . . . 2_655 ?
V1 O13 V2 O6 69.2(3) . . . 2_655 ?
V8 O13 V2 V4 -7.2(3) . . . 2_655 ?
V1 O13 V2 V4 113.42(11) . . . 2_655 ?
V3 O1 V2 O8 -124.9(3) . . . . ?
V1 O1 V2 O8 106.7(2) . . . . ?
V3 O1 V2 O14 49.6(4) . . . 2_655 ?
V1 O1 V2 O14 -78.8(2) . . . 2_655 ?
V3 O1 V2 O13 129.2(3) . . . . ?
V1 O1 V2 O13 0.84(14) . . . . ?
V3 O1 V2 O6 -15.6(3) . . . 2_655 ?
V1 O1 V2 O6 -143.94(16) . . . 2_655 ?
V3 O1 V2 V4 9.2(4) . . . 2_655 ?
V1 O1 V2 V4 -119.22(11) . . . 2_655 ?
V3 O20 V3 O10 -179.62(15) 2_655 . . . ?
V3 O20 V3 O1 -66.44(10) 2_655 . . . ?
V3 O20 V3 O6 66.01(10) 2_655 . . . ?
V3 O20 V3 O12 3.0(2) 2_655 . . . ?
V1 O1 V3 O10 -88.9(2) . . . . ?
V2 O1 V3 O10 142.5(3) . . . . ?
V1 O1 V3 O20 164.52(18) . . . . ?
V2 O1 V3 O20 35.9(3) . . . . ?
V1 O1 V3 O6 70.7(2) . . . . ?
V2 O1 V3 O6 -58.0(4) . . . . ?
V1 O1 V3 O12 6.63(14) . . . . ?
V2 O1 V3 O12 -122.0(3) . . . . ?
V4 O6 V3 O10 90.5(2) . . . . ?
V2 O6 V3 O10 -140.8(3) 2_655 . . . ?
V4 O6 V3 O20 -162.69(17) . . . . ?
V2 O6 V3 O20 -34.0(3) 2_655 . . . ?
V4 O6 V3 O1 -68.9(2) . . . . ?
V2 O6 V3 O1 59.8(4) 2_655 . . . ?
V4 O6 V3 O12 -3.87(13) . . . . ?
V2 O6 V3 O12 124.9(3) 2_655 . . . ?
V4 O12 V3 O10 -107.85(18) . . . . ?
V1 O12 V3 O10 104.45(18) . . . . ?
V4 O12 V3 O20 69.6(3) . . . . ?
V1 O12 V3 O20 -78.1(3) . . . . ?
V4 O12 V3 O1 141.19(16) . . . . ?
V1 O12 V3 O1 -6.51(14) . . . . ?
V4 O12 V3 O6 3.98(14) . . . . ?
V1 O12 V3 O6 -143.72(16) . . . . ?
V1 O12 V4 O11 -150.4(3) . . . . ?
V3 O12 V4 O11 104.26(18) . . . . ?
V1 O12 V4 O5 -40.1(4) . . . . ?
V3 O12 V4 O5 -145.49(14) . . . . ?
V1 O12 V4 O6 101.4(4) . . . . ?
V3 O12 V4 O6 -3.91(14) . . . . ?
V1 O12 V4 O14 38.2(5) . . . . ?
V3 O12 V4 O14 -67.1(3) . . . . ?
V1 O12 V4 V2 78.5(4) . . . 2_655 ?
V3 O12 V4 V2 -26.88(16) . . . 2_655 ?
V5 O5 V4 O11 -99.54(18) . . . . ?
V6 O5 V4 O11 137.6(3) . . . . ?
V5 O5 V4 O12 150.05(15) . . . . ?
V6 O5 V4 O12 27.2(3) . . . . ?
V5 O5 V4 O6 65.3(3) . . . . ?
V6 O5 V4 O6 -57.5(4) . . . . ?
V5 O5 V4 O14 5.49(13) . . . . ?
V6 O5 V4 O14 -117.4(3) . . . . ?
V5 O5 V4 V2 27.98(15) . . . 2_655 ?
V6 O5 V4 V2 -94.9(3) . . . 2_655 ?
V3 O6 V4 O11 -103.56(18) . . . . ?
V2 O6 V4 O11 104.67(18) 2_655 . . . ?
V3 O6 V4 O12 4.36(15) . . . . ?
V2 O6 V4 O12 -147.41(16) 2_655 . . . ?
V3 O6 V4 O5 91.6(2) . . . . ?
V2 O6 V4 O5 -60.2(3) 2_655 . . . ?
V3 O6 V4 O14 152.19(17) . . . . ?
V2 O6 V4 O14 0.42(14) 2_655 . . . ?
V3 O6 V4 V2 151.8(2) . . . 2_655 ?
V5 O14 V4 O11 101.12(18) . . . . ?
V2 O14 V4 O11 -106.92(18) 2_655 . . . ?
V5 O14 V4 O12 -87.4(3) . . . . ?
V2 O14 V4 O12 64.5(3) 2_655 . . . ?
V5 O14 V4 O5 -5.59(13) . . . . ?
V2 O14 V4 O5 146.36(16) 2_655 . . . ?
V5 O14 V4 O6 -152.38(16) . . . . ?
V2 O14 V4 O6 -0.43(14) 2_655 . . . ?
V5 O14 V4 V2 -152.0(2) . . . 2_655 ?
Ni1 O4 V5 O15 30.2(6) . . . 2_655 ?
Ni1 O4 V5 O14 -65.6(5) . . . . ?
Ni1 O4 V5 O3 123.3(5) . . . . ?
Ni1 O4 V5 O5 -151.1(5) . . . . ?
Ni1 O4 V5 V7 84.0(5) . . . 2_655 ?
V4 O14 V5 O4 -100.74(17) . . . . ?
V2 O14 V5 O4 132.8(3) 2_655 . . . ?
V4 O14 V5 O15 152.48(15) . . . 2_655 ?
V2 O14 V5 O15 26.0(3) 2_655 . . 2_655 ?
V4 O14 V5 O3 66.6(2) . . . . ?
V2 O14 V5 O3 -59.9(4) 2_655 . . . ?
V4 O14 V5 O5 5.37(13) . . . . ?
V2 O14 V5 O5 -121.1(3) 2_655 . . . ?
V4 O14 V5 V7 116.84(11) . . . 2_655 ?
V2 O14 V5 V7 -9.6(4) 2_655 . . 2_655 ?
V7 O3 V5 O4 -97.90(19) 2_655 . . . ?
V6 O3 V5 O4 105.37(18) . . . . ?
V7 O3 V5 O15 7.95(17) 2_655 . . 2_655 ?
V6 O3 V5 O15 -148.78(16) . . . 2_655 ?
V7 O3 V5 O14 94.8(2) 2_655 . . . ?
V6 O3 V5 O14 -61.9(3) . . . . ?
V7 O3 V5 O5 156.07(18) 2_655 . . . ?
V6 O3 V5 O5 -0.66(14) . . . . ?
V6 O3 V5 V7 -156.7(2) . . . 2_655 ?
V4 O5 V5 O4 102.29(18) . . . . ?
V6 O5 V5 O4 -107.77(18) . . . . ?
V4 O5 V5 O15 -79.9(3) . . . 2_655 ?
V6 O5 V5 O15 70.0(3) . . . 2_655 ?
V4 O5 V5 O14 -5.57(13) . . . . ?
V6 O5 V5 O14 144.37(15) . . . . ?
V4 O5 V5 O3 -149.28(16) . . . . ?
V6 O5 V5 O3 0.66(14) . . . . ?
V4 O5 V5 V7 -134.01(9) . . . 2_655 ?
V6 O5 V5 V7 15.93(15) . . . 2_655 ?
V1 O9 V6 O16 123.1(3) . . . . ?
V8 O9 V6 O16 -105.79(18) . . . . ?
V1 O9 V6 O3 -60.3(4) . . . . ?
V8 O9 V6 O3 70.8(2) . . . . ?
V1 O9 V6 O5 13.7(3) . . . . ?
V8 O9 V6 O5 144.79(15) . . . . ?
V1 O9 V6 O2 -130.8(3) . . . . ?
V8 O9 V6 O2 0.29(14) . . . . ?
V7 O3 V6 O16 117.3(3) 2_655 . . . ?
V5 O3 V6 O16 -104.31(18) . . . . ?
V7 O3 V6 O9 -59.3(4) 2_655 . . . ?
V5 O3 V6 O9 79.2(2) . . . . ?
V7 O3 V6 O5 -137.8(4) 2_655 . . . ?
V5 O3 V6 O5 0.66(14) . . . . ?
V7 O3 V6 O2 7.7(3) 2_655 . . . ?
V5 O3 V6 O2 146.08(16) . . . . ?
V4 O5 V6 O16 -129.1(3) . . . . ?
V5 O5 V6 O16 108.17(19) . . . . ?
V4 O5 V6 O9 -19.8(3) . . . . ?
V5 O5 V6 O9 -142.54(15) . . . . ?
V4 O5 V6 O3 122.1(3) . . . . ?
V5 O5 V6 O3 -0.65(14) . . . . ?
V4 O5 V6 O2 51.0(4) . . . . ?
V5 O5 V6 O2 -71.8(3) . . . . ?
V7 O2 V6 O16 -119.9(3) . . . . ?
V8 O2 V6 O16 104.4(2) . . . . ?
V7 O2 V6 O9 135.5(3) . . . . ?
V8 O2 V6 O9 -0.29(14) . . . . ?
V7 O2 V6 O3 -8.1(3) . . . . ?
V8 O2 V6 O3 -143.86(16) . . . . ?
V7 O2 V6 O5 60.0(4) . . . . ?
V8 O2 V6 O5 -75.7(3) . . . . ?
V7 O19 V7 O17 179.44(16) 2_655 . . . ?
V7 O19 V7 O3 61.72(11) 2_655 . . 2_655 ?
V7 O19 V7 O2 -62.44(11) 2_655 . . . ?
V7 O19 V7 O15 -3.1(3) 2_655 . . . ?
V7 O19 V7 V5 51.62(11) 2_655 . . 2_655 ?
V8 O2 V7 O17 -85.0(2) . . . . ?
V6 O2 V7 O17 139.9(3) . . . . ?
V8 O2 V7 O19 166.34(18) . . . . ?
V6 O2 V7 O19 31.2(3) . . . . ?
V8 O2 V7 O3 66.7(2) . . . 2_655 ?
V6 O2 V7 O3 -68.4(4) . . . 2_655 ?
V8 O2 V7 O15 4.25(14) . . . . ?
V6 O2 V7 O15 -130.9(3) . . . . ?
V8 O2 V7 V5 30.45(16) . . . 2_655 ?
V6 O2 V7 V5 -104.7(3) . . . 2_655 ?
V8 O15 V7 O17 110.47(19) . . . . ?
V5 O15 V7 O17 -108.19(18) 2_655 . . . ?
V8 O15 V7 O19 -67.0(3) . . . . ?
V5 O15 V7 O19 74.3(3) 2_655 . . . ?
V8 O15 V7 O3 -134.84(17) . . . 2_655 ?
V5 O15 V7 O3 6.49(13) 2_655 . . 2_655 ?
V8 O15 V7 O2 -4.42(14) . . . . ?
V5 O15 V7 O2 136.92(16) 2_655 . . . ?
V8 O15 V7 V5 -141.3(2) . . . 2_655 ?
V5 O15 V8 O7 163.9(3) 2_655 . . . ?
V7 O15 V8 O7 -102.37(17) . . . . ?
V5 O15 V8 O13 52.5(4) 2_655 . . . ?
V7 O15 V8 O13 146.22(13) . . . . ?
V5 O15 V8 O2 -89.6(4) 2_655 . . . ?
V7 O15 V8 O2 4.14(13) . . . . ?
V5 O15 V8 O9 -25.6(5) 2_655 . . . ?
V7 O15 V8 O9 68.1(3) . . . . ?
V1 O13 V8 O7 99.88(17) . . . . ?
V2 O13 V8 O7 -139.9(3) . . . . ?
V1 O13 V8 O15 -150.13(16) . . . . ?
V2 O13 V8 O15 -29.9(3) . . . . ?
V1 O13 V8 O2 -59.0(3) . . . . ?
V2 O13 V8 O2 61.2(4) . . . . ?
V1 O13 V8 O9 -4.66(14) . . . . ?
V2 O13 V8 O9 115.5(3) . . . . ?
V7 O2 V8 O7 101.90(18) . . . . ?
V6 O2 V8 O7 -104.08(17) . . . . ?
V7 O2 V8 O15 -5.31(17) . . . . ?
V6 O2 V8 O15 148.71(17) . . . . ?
V7 O2 V8 O13 -98.9(2) . . . . ?
V6 O2 V8 O13 55.1(3) . . . . ?
V7 O2 V8 O9 -153.73(18) . . . . ?
V6 O2 V8 O9 0.29(14) . . . . ?
V1 O9 V8 O7 -102.04(18) . . . . ?
V6 O9 V8 O7 103.59(18) . . . . ?
V1 O9 V8 O15 87.4(3) . . . . ?
V6 O9 V8 O15 -66.9(3) . . . . ?
V1 O9 V8 O13 4.76(14) . . . . ?
V6 O9 V8 O13 -149.61(17) . . . . ?
V1 O9 V8 O2 154.08(17) . . . . ?
V6 O9 V8 O2 -0.29(14) . . . . ?
Ni3 Ni3 N8 C19 -160.0(11) 2_655 . . 2_655 ?
N6 Ni3 N8 C19 -111.6(17) 2_655 . . 2_655 ?
N7 Ni3 N8 C19 28.0(15) 2_655 . . 2_655 ?
N7 Ni3 N8 C19 -134.3(14) . . . 2_655 ?
N6 Ni3 N8 C19 50(8) . . . 2_655 ?
N5 Ni3 N8 C19 48.4(14) . . . 2_655 ?
C18 Ni3 N8 C19 -163.3(16) 2_655 . . 2_655 ?
C21 Ni3 N8 C19 5.5(13) 2_655 . . 2_655 ?
C22 Ni3 N8 C19 29.7(14) 2_655 . . 2_655 ?
Ni3 Ni3 N8 N6 -48.4(13) 2_655 . . 2_655 ?
N7 Ni3 N8 N6 139.6(10) 2_655 . . 2_655 ?
N7 Ni3 N8 N6 -22.6(10) . . . 2_655 ?
N6 Ni3 N8 N6 162(7) . . . 2_655 ?
C19 Ni3 N8 N6 111.6(17) 2_655 . . 2_655 ?
N5 Ni3 N8 N6 160.0(10) . . . 2_655 ?
C18 Ni3 N8 N6 -51.6(10) 2_655 . . 2_655 ?
C21 Ni3 N8 N6 117.1(11) 2_655 . . 2_655 ?
C22 Ni3 N8 N6 141.3(10) 2_655 . . 2_655 ?
Ni3 Ni3 N8 C26 -27.1(12) 2_655 . . . ?
N6 Ni3 N8 C26 21.3(10) 2_655 . . . ?
N7 Ni3 N8 C26 160.9(6) 2_655 . . . ?
N7 Ni3 N8 C26 -1.4(7) . . . . ?
N6 Ni3 N8 C26 -177(100) . . . . ?
C19 Ni3 N8 C26 132.9(17) 2_655 . . . ?
N5 Ni3 N8 C26 -178.7(8) . . . . ?
C18 Ni3 N8 C26 -30.4(8) 2_655 . . . ?
C21 Ni3 N8 C26 138.4(8) 2_655 . . . ?
C22 Ni3 N8 C26 162.6(8) 2_655 . . . ?
Ni3 Ni3 N8 C27 -156.3(6) 2_655 . . . ?
N6 Ni3 N8 C27 -108.0(13) 2_655 . . . ?
N7 Ni3 N8 C27 31.7(9) 2_655 . . . ?
N7 Ni3 N8 C27 -130.6(8) . . . . ?
N6 Ni3 N8 C27 54(7) . . . . ?
C19 Ni3 N8 C27 3.6(12) 2_655 . . . ?
N5 Ni3 N8 C27 52.0(8) . . . . ?
C18 Ni3 N8 C27 -159.6(11) 2_655 . . . ?
C21 Ni3 N8 C27 9.1(7) 2_655 . . . ?
C22 Ni3 N8 C27 33.3(8) 2_655 . . . ?
Ni3 Ni3 N8 C20 -118.1(12) 2_655 . . 2_655 ?
N6 Ni3 N8 C20 -69.7(14) 2_655 . . 2_655 ?
N7 Ni3 N8 C20 69.9(12) 2_655 . . 2_655 ?
N7 Ni3 N8 C20 -92.3(11) . . . 2_655 ?
N6 Ni3 N8 C20 92(7) . . . 2_655 ?
C19 Ni3 N8 C20 41.9(15) 2_655 . . 2_655 ?
N5 Ni3 N8 C20 90.3(12) . . . 2_655 ?
C18 Ni3 N8 C20 -121.3(13) 2_655 . . 2_655 ?
C21 Ni3 N8 C20 47.4(11) 2_655 . . 2_655 ?
C22 Ni3 N8 C20 71.6(11) 2_655 . . 2_655 ?
Ni3 Ni3 N8 C18 3.3(10) 2_655 . . 2_655 ?
N6 Ni3 N8 C18 51.6(10) 2_655 . . 2_655 ?
N7 Ni3 N8 C18 -168.7(6) 2_655 . . 2_655 ?
N7 Ni3 N8 C18 29.0(6) . . . 2_655 ?
N6 Ni3 N8 C18 -147(7) . . . 2_655 ?
C19 Ni3 N8 C18 163.3(16) 2_655 . . 2_655 ?
N5 Ni3 N8 C18 -148.4(6) . . . 2_655 ?
C21 Ni3 N8 C18 168.7(7) 2_655 . . 2_655 ?
C22 Ni3 N8 C18 -167.0(6) 2_655 . . 2_655 ?
C25 C18 N6 N8 135.2(19) 2_655 . . 2_655 ?
C26 C18 N6 N8 54.2(8) 2_655 . . 2_655 ?
C17 C18 N6 N8 174.2(12) . . . 2_655 ?
N7 C18 N6 N8 173.4(9) 2_655 . . 2_655 ?
Ni3 C18 N6 N8 -116.5(11) 2_655 . . 2_655 ?
C25 C18 N6 Ni3 -108.2(19) 2_655 . . 2_655 ?
C26 C18 N6 Ni3 170.8(10) 2_655 . . 2_655 ?
C17 C18 N6 Ni3 -69.3(14) . . . 2_655 ?
N7 C18 N6 Ni3 -70.1(9) 2_655 . . 2_655 ?
N8 C18 N6 Ni3 116.5(11) 2_655 . . 2_655 ?
C25 C18 N6 C19 134.9(18) 2_655 . . . ?
C26 C18 N6 C19 53.9(13) 2_655 . . . ?
C17 C18 N6 C19 173.9(12) . . . . ?
N7 C18 N6 C19 173.1(11) 2_655 . . . ?
N8 C18 N6 C19 -0.3(10) 2_655 . . . ?
Ni3 C18 N6 C19 -116.8(15) 2_655 . . . ?
C25 C18 N6 C26 81.0(18) 2_655 . . 2_655 ?
C17 C18 N6 C26 120.0(14) . . . 2_655 ?
N7 C18 N6 C26 119.2(9) 2_655 . . 2_655 ?
N8 C18 N6 C26 -54.2(8) 2_655 . . 2_655 ?
Ni3 C18 N6 C26 -170.8(10) 2_655 . . 2_655 ?
C25 C18 N6 N7 -38.2(16) 2_655 . . 2_655 ?
C26 C18 N6 N7 -119.2(9) 2_655 . . 2_655 ?
C17 C18 N6 N7 0.8(9) . . . 2_655 ?
N8 C18 N6 N7 -173.4(9) 2_655 . . 2_655 ?
Ni3 C18 N6 N7 70.1(9) 2_655 . . 2_655 ?
C26 C18 N6 C25 -81.0(18) 2_655 . . 2_655 ?
C17 C18 N6 C25 39.0(14) . . . 2_655 ?
N7 C18 N6 C25 38.2(16) 2_655 . . 2_655 ?
N8 C18 N6 C25 -135.2(19) 2_655 . . 2_655 ?
Ni3 C18 N6 C25 108.2(19) 2_655 . . 2_655 ?
C25 C18 N6 Ni3 -87.5(18) 2_655 . . . ?
C26 C18 N6 Ni3 -168.5(8) 2_655 . . . ?
C17 C18 N6 Ni3 -48.5(12) . . . . ?
N7 C18 N6 Ni3 -49.4(6) 2_655 . . . ?
N8 C18 N6 Ni3 137.3(9) 2_655 . . . ?
Ni3 C18 N6 Ni3 20.7(4) 2_655 . . . ?
Ni3 Ni3 N6 N8 -31.7(9) 2_655 . . 2_655 ?
N6 Ni3 N6 N8 -79(2) 2_655 . . 2_655 ?
N7 Ni3 N6 N8 144.6(13) 2_655 . . 2_655 ?
N7 Ni3 N6 N8 -54.1(12) . . . 2_655 ?
N8 Ni3 N6 N8 122(7) . . . 2_655 ?
C19 Ni3 N6 N8 166.3(14) 2_655 . . 2_655 ?
N5 Ni3 N6 N8 123.3(12) . . . 2_655 ?
C18 Ni3 N6 N8 -23.4(15) 2_655 . . 2_655 ?
C21 Ni3 N6 N8 165.0(11) 2_655 . . 2_655 ?
C22 Ni3 N6 N8 141.9(12) 2_655 . . 2_655 ?
N6 Ni3 N6 Ni3 -47.0(18) 2_655 . . 2_655 ?
N7 Ni3 N6 Ni3 176.2(8) 2_655 . . 2_655 ?
N7 Ni3 N6 Ni3 -22.4(6) . . . 2_655 ?
N8 Ni3 N6 Ni3 153(7) . . . 2_655 ?
C19 Ni3 N6 Ni3 -162.1(10) 2_655 . . 2_655 ?
N5 Ni3 N6 Ni3 154.9(6) . . . 2_655 ?
C18 Ni3 N6 Ni3 8.3(10) 2_655 . . 2_655 ?
C21 Ni3 N6 Ni3 -163.3(5) 2_655 . . 2_655 ?
C22 Ni3 N6 Ni3 173.6(6) 2_655 . . 2_655 ?
Ni3 Ni3 N6 C19 9.4(7) 2_655 . . . ?
N6 Ni3 N6 C19 -38(2) 2_655 . . . ?
N7 Ni3 N6 C19 -174.3(12) 2_655 . . . ?
N7 Ni3 N6 C19 -13.0(10) . . . . ?
N8 Ni3 N6 C19 163(7) . . . . ?
C19 Ni3 N6 C19 -152.6(17) 2_655 . . . ?
N5 Ni3 N6 C19 164.4(10) . . . . ?
C18 Ni3 N6 C19 17.7(13) 2_655 . . . ?
C21 Ni3 N6 C19 -153.9(10) 2_655 . . . ?
C22 Ni3 N6 C19 -177.0(10) 2_655 . . . ?
Ni3 Ni3 N6 C18 -125.8(11) 2_655 . . . ?
N6 Ni3 N6 C18 -172.7(12) 2_655 . . . ?
N7 Ni3 N6 C18 50.5(7) 2_655 . . . ?
N7 Ni3 N6 C18 -148.2(8) . . . . ?
N8 Ni3 N6 C18 28(7) . . . . ?
C19 Ni3 N6 C18 72.2(14) 2_655 . . . ?
N5 Ni3 N6 C18 29.2(8) . . . . ?
C18 Ni3 N6 C18 -117.5(11) 2_655 . . . ?
C21 Ni3 N6 C18 70.9(8) 2_655 . . . ?
C22 Ni3 N6 C18 47.8(8) 2_655 . . . ?
Ni3 Ni3 N6 C26 -142.3(18) 2_655 . . 2_655 ?
N6 Ni3 N6 C26 170.7(11) 2_655 . . 2_655 ?
N7 Ni3 N6 C26 33.9(13) 2_655 . . 2_655 ?
N7 Ni3 N6 C26 -164.7(14) . . . 2_655 ?
N8 Ni3 N6 C26 11(8) . . . 2_655 ?
C19 Ni3 N6 C26 56(2) 2_655 . . 2_655 ?
N5 Ni3 N6 C26 12.6(14) . . . 2_655 ?
C18 Ni3 N6 C26 -134.0(13) 2_655 . . 2_655 ?
C21 Ni3 N6 C26 54.3(15) 2_655 . . 2_655 ?
C22 Ni3 N6 C26 31.3(14) 2_655 . . 2_655 ?
Ni3 Ni3 N6 N7 -176.2(8) 2_655 . . 2_655 ?
N6 Ni3 N6 N7 136.8(11) 2_655 . . 2_655 ?
N7 Ni3 N6 N7 161.3(6) . . . 2_655 ?
N8 Ni3 N6 N7 -23(7) . . . 2_655 ?
C19 Ni3 N6 N7 21.7(13) 2_655 . . 2_655 ?
N5 Ni3 N6 N7 -21.3(5) . . . 2_655 ?
C18 Ni3 N6 N7 -168.0(6) 2_655 . . 2_655 ?
C21 Ni3 N6 N7 20.4(6) 2_655 . . 2_655 ?
C22 Ni3 N6 N7 -2.6(5) 2_655 . . 2_655 ?
Ni3 Ni3 N6 C25 -148.3(10) 2_655 . . 2_655 ?
N6 Ni3 N6 C25 164.7(10) 2_655 . . 2_655 ?
N7 Ni3 N6 C25 27.9(5) 2_655 . . 2_655 ?
N7 Ni3 N6 C25 -170.7(6) . . . 2_655 ?
N8 Ni3 N6 C25 5(7) . . . 2_655 ?
C19 Ni3 N6 C25 49.6(14) 2_655 . . 2_655 ?
N5 Ni3 N6 C25 6.6(6) . . . 2_655 ?
C18 Ni3 N6 C25 -140.0(8) 2_655 . . 2_655 ?
C21 Ni3 N6 C25 48.4(7) 2_655 . . 2_655 ?
C22 Ni3 N6 C25 25.3(6) 2_655 . . 2_655 ?
Ni3 Ni3 N7 C17 104.3(10) 2_655 . . 2_655 ?
N6 Ni3 N7 C17 -78.4(11) 2_655 . . 2_655 ?
N7 Ni3 N7 C17 139.7(10) 2_655 . . 2_655 ?
N6 Ni3 N7 C17 114.9(10) . . . 2_655 ?
N8 Ni3 N7 C17 -64.9(10) . . . 2_655 ?
C19 Ni3 N7 C17 -81.9(11) 2_655 . . 2_655 ?
N5 Ni3 N7 C17 -28(6) . . . 2_655 ?
C18 Ni3 N7 C17 -34.3(9) 2_655 . . 2_655 ?
C21 Ni3 N7 C17 -113.2(10) 2_655 . . 2_655 ?
C22 Ni3 N7 C17 -142.0(13) 2_655 . . 2_655 ?
Ni3 Ni3 N7 N5 34.3(5) 2_655 . . 2_655 ?
N6 Ni3 N7 N5 -148.5(8) 2_655 . . 2_655 ?
N7 Ni3 N7 N5 69.7(10) 2_655 . . 2_655 ?
N6 Ni3 N7 N5 44.9(6) . . . 2_655 ?
N8 Ni3 N7 N5 -134.9(6) . . . 2_655 ?
C19 Ni3 N7 N5 -151.9(7) 2_655 . . 2_655 ?
N5 Ni3 N7 N5 -98(5) . . . 2_655 ?
C18 Ni3 N7 N5 -104.3(8) 2_655 . . 2_655 ?
C21 Ni3 N7 N5 176.8(6) 2_655 . . 2_655 ?
C22 Ni3 N7 N5 147.9(11) 2_655 . . 2_655 ?
Ni3 Ni3 N7 C25 142.8(7) 2_655 . . . ?
N6 Ni3 N7 C25 -39.9(8) 2_655 . . . ?
N7 Ni3 N7 C25 178.3(6) 2_655 . . . ?
N6 Ni3 N7 C25 153.5(7) . . . . ?
N8 Ni3 N7 C25 -26.3(7) . . . . ?
C19 Ni3 N7 C25 -43.3(8) 2_655 . . . ?
N5 Ni3 N7 C25 10(5) . . . . ?
C18 Ni3 N7 C25 4.3(8) 2_655 . . . ?
C21 Ni3 N7 C25 -74.6(8) 2_655 . . . ?
C22 Ni3 N7 C25 -103.5(12) 2_655 . . . ?
Ni3 Ni3 N7 C22 7.4(7) 2_655 . . . ?
N6 Ni3 N7 C22 -175.4(10) 2_655 . . . ?
N7 Ni3 N7 C22 42.8(13) 2_655 . . . ?
N6 Ni3 N7 C22 18.0(9) . . . . ?
N8 Ni3 N7 C22 -161.8(8) . . . . ?
C19 Ni3 N7 C22 -178.8(9) 2_655 . . . ?
N5 Ni3 N7 C22 -125(5) . . . . ?
C18 Ni3 N7 C22 -131.2(11) 2_655 . . . ?
C21 Ni3 N7 C22 149.9(8) 2_655 . . . ?
C22 Ni3 N7 C22 121.0(13) 2_655 . . . ?
Ni3 Ni3 N7 C18 138.6(6) 2_655 . . 2_655 ?
N6 Ni3 N7 C18 -44.1(7) 2_655 . . 2_655 ?
N7 Ni3 N7 C18 174.0(7) 2_655 . . 2_655 ?
N6 Ni3 N7 C18 149.2(7) . . . 2_655 ?
N8 Ni3 N7 C18 -30.5(7) . . . 2_655 ?
C19 Ni3 N7 C18 -47.6(7) 2_655 . . 2_655 ?
N5 Ni3 N7 C18 6(5) . . . 2_655 ?
C21 Ni3 N7 C18 -78.9(8) 2_655 . . 2_655 ?
C22 Ni3 N7 C18 -107.7(12) 2_655 . . 2_655 ?
Ni3 Ni3 N7 N6 -177.3(6) 2_655 . . 2_655 ?
N7 Ni3 N7 N6 -141.9(7) 2_655 . . 2_655 ?
N6 Ni3 N7 N6 -166.7(8) . . . 2_655 ?
N8 Ni3 N7 N6 13.6(6) . . . 2_655 ?
C19 Ni3 N7 N6 -3.5(7) 2_655 . . 2_655 ?
N5 Ni3 N7 N6 50(5) . . . 2_655 ?
C18 Ni3 N7 N6 44.1(7) 2_655 . . 2_655 ?
C21 Ni3 N7 N6 -34.8(7) 2_655 . . 2_655 ?
C22 Ni3 N7 N6 -63.6(12) 2_655 . . 2_655 ?
N6 Ni3 N7 Ni3 177.3(6) 2_655 . . 2_655 ?
N7 Ni3 N7 Ni3 35.4(7) 2_655 . . 2_655 ?
N6 Ni3 N7 Ni3 10.6(3) . . . 2_655 ?
N8 Ni3 N7 Ni3 -169.1(3) . . . 2_655 ?
C19 Ni3 N7 Ni3 173.8(4) 2_655 . . 2_655 ?
N5 Ni3 N7 Ni3 -133(5) . . . 2_655 ?
C18 Ni3 N7 Ni3 -138.6(6) 2_655 . . 2_655 ?
C21 Ni3 N7 Ni3 142.5(4) 2_655 . . 2_655 ?
C22 Ni3 N7 Ni3 113.7(10) 2_655 . . 2_655 ?
Ni3 Ni3 N5 C22 102.8(12) 2_655 . . 2_655 ?
N6 Ni3 N5 C22 -77.7(13) 2_655 . . 2_655 ?
N7 Ni3 N5 C22 65.0(12) 2_655 . . 2_655 ?
N7 Ni3 N5 C22 -126(5) . . . 2_655 ?
N6 Ni3 N5 C22 90.7(12) . . . 2_655 ?
N8 Ni3 N5 C22 -89.4(12) . . . 2_655 ?
C19 Ni3 N5 C22 -71.3(12) 2_655 . . 2_655 ?
C18 Ni3 N5 C22 -120.3(12) 2_655 . . 2_655 ?
C21 Ni3 N5 C22 -37.2(11) 2_655 . . 2_655 ?
Ni3 Ni3 N5 C24 -116.8(16) 2_655 . . 2_655 ?
N6 Ni3 N5 C24 62.7(18) 2_655 . . 2_655 ?
N7 Ni3 N5 C24 -154.6(19) 2_655 . . 2_655 ?
N7 Ni3 N5 C24 15(6) . . . 2_655 ?
N6 Ni3 N5 C24 -128.9(16) . . . 2_655 ?
N8 Ni3 N5 C24 51.0(16) . . . 2_655 ?
C19 Ni3 N5 C24 69.1(16) 2_655 . . 2_655 ?
C18 Ni3 N5 C24 20.1(19) 2_655 . . 2_655 ?
C21 Ni3 N5 C24 103.2(17) 2_655 . . 2_655 ?
C22 Ni3 N5 C24 140(2) 2_655 . . 2_655 ?
Ni3 Ni3 N5 N7 37.8(6) 2_655 . . 2_655 ?
N6 Ni3 N5 N7 -142.7(7) 2_655 . . 2_655 ?
N7 Ni3 N5 N7 169(5) . . . 2_655 ?
N6 Ni3 N5 N7 25.7(6) . . . 2_655 ?
N8 Ni3 N5 N7 -154.4(6) . . . 2_655 ?
C19 Ni3 N5 N7 -136.3(7) 2_655 . . 2_655 ?
C18 Ni3 N5 N7 174.7(6) 2_655 . . 2_655 ?
C21 Ni3 N5 N7 -102.2(7) 2_655 . . 2_655 ?
C22 Ni3 N5 N7 -65.0(12) 2_655 . . 2_655 ?
Ni3 Ni3 N5 C30 142.7(7) 2_655 . . . ?
N6 Ni3 N5 C30 -37.8(11) 2_655 . . . ?
N7 Ni3 N5 C30 104.9(11) 2_655 . . . ?
N7 Ni3 N5 C30 -86(5) . . . . ?
N6 Ni3 N5 C30 130.6(9) . . . . ?
N8 Ni3 N5 C30 -49.5(9) . . . . ?
C19 Ni3 N5 C30 -31.4(9) 2_655 . . . ?
C18 Ni3 N5 C30 -80.4(11) 2_655 . . . ?
C21 Ni3 N5 C30 2.7(7) 2_655 . . . ?
C22 Ni3 N5 C30 39.9(11) 2_655 . . . ?
Ni3 Ni3 N5 C17 7.3(9) 2_655 . . . ?
N6 Ni3 N5 C17 -173.2(9) 2_655 . . . ?
N7 Ni3 N5 C17 -30.5(7) 2_655 . . . ?
N7 Ni3 N5 C17 139(5) . . . . ?
N6 Ni3 N5 C17 -4.8(9) . . . . ?
N8 Ni3 N5 C17 175.1(9) . . . . ?
C19 Ni3 N5 C17 -166.8(10) 2_655 . . . ?
C18 Ni3 N5 C17 144.2(8) 2_655 . . . ?
C21 Ni3 N5 C17 -132.7(11) 2_655 . . . ?
C22 Ni3 N5 C17 -95.5(15) 2_655 . . . ?
Ni3 Ni3 N5 C21 140.0(4) 2_655 . . 2_655 ?
N6 Ni3 N5 C21 -40.5(8) 2_655 . . 2_655 ?
N7 Ni3 N5 C21 102.2(7) 2_655 . . 2_655 ?
N7 Ni3 N5 C21 -89(5) . . . 2_655 ?
N6 Ni3 N5 C21 127.9(6) . . . 2_655 ?
N8 Ni3 N5 C21 -52.2(5) . . . 2_655 ?
C19 Ni3 N5 C21 -34.1(5) 2_655 . . 2_655 ?
C18 Ni3 N5 C21 -83.1(8) 2_655 . . 2_655 ?
C22 Ni3 N5 C21 37.2(11) 2_655 . . 2_655 ?
C19 N8 C27 C20 127(3) 2_655 . . 2_655 ?
N6 N8 C27 C20 85.1(17) 2_655 . . 2_655 ?
C26 N8 C27 C20 -3.7(18) . . . 2_655 ?
C18 N8 C27 C20 10(3) 2_655 . . 2_655 ?
Ni3 N8 C27 C20 121.5(15) . . . 2_655 ?
N6 N8 C27 C19 -42(2) 2_655 . . 2_655 ?
C26 N8 C27 C19 -131(2) . . . 2_655 ?
C20 N8 C27 C19 -127(3) 2_655 . . 2_655 ?
C18 N8 C27 C19 -117(3) 2_655 . . 2_655 ?
Ni3 N8 C27 C19 -5.8(19) . . . 2_655 ?
C19 N8 C27 C29 -58(2) 2_655 . . . ?
N6 N8 C27 C29 -99.8(12) 2_655 . . . ?
C26 N8 C27 C29 171.3(9) . . . . ?
C20 N8 C27 C29 175(2) 2_655 . . . ?
C18 N8 C27 C29 -175(2) 2_655 . . . ?
Ni3 N8 C27 C29 -63.5(11) . . . . ?
C19 N8 C27 C28 -178(2) 2_655 . . . ?
N6 N8 C27 C28 140.0(11) 2_655 . . . ?
C26 N8 C27 C28 51.1(13) . . . . ?
C20 N8 C27 C28 54.8(15) 2_655 . . . ?
C18 N8 C27 C28 65(3) 2_655 . . . ?
Ni3 N8 C27 C28 176.3(8) . . . . ?
C19 N8 C27 C21 -5(2) 2_655 . . 2_655 ?
N6 N8 C27 C21 -47.4(11) 2_655 . . 2_655 ?
C26 N8 C27 C21 -136.2(9) . . . 2_655 ?
C20 N8 C27 C21 -132.5(17) 2_655 . . 2_655 ?
C18 N8 C27 C21 -122(2) 2_655 . . 2_655 ?
Ni3 N8 C27 C21 -11.0(9) . . . 2_655 ?
C30 C29 C27 C20 -136(8) . . . 2_655 ?
C21 C29 C27 C20 -126(9) 2_655 . . 2_655 ?
C19 C29 C27 C20 -177(9) 2_655 . . 2_655 ?
C30 C29 C27 C19 40.9(16) . . . 2_655 ?
C21 C29 C27 C19 50.6(12) 2_655 . . 2_655 ?
C30 C29 C27 N8 67.1(14) . . . . ?
C21 C29 C27 N8 76.8(10) 2_655 . . . ?
C19 C29 C27 N8 26.2(9) 2_655 . . . ?
C30 C29 C27 C28 -173.0(11) . . . . ?
C21 C29 C27 C28 -163.2(11) 2_655 . . . ?
C19 C29 C27 C28 146.1(17) 2_655 . . . ?
C30 C29 C27 C21 -9.7(9) . . . 2_655 ?
C19 C29 C27 C21 -50.6(12) 2_655 . . 2_655 ?
C19 C27 C28 C20 -72(3) 2_655 . . 2_655 ?
N8 C27 C28 C20 -70.0(17) . . . 2_655 ?
C29 C27 C28 C20 171(2) . . . 2_655 ?
C21 C27 C28 C20 131(4) 2_655 . . 2_655 ?
C24 N5 C30 C22 131.3(18) 2_655 . . 2_655 ?
N7 N5 C30 C22 -16.7(15) 2_655 . . 2_655 ?
C17 N5 C30 C22 39.3(17) . . . 2_655 ?
C21 N5 C30 C22 -85.5(16) 2_655 . . 2_655 ?
Ni3 N5 C30 C22 -89.5(17) . . . 2_655 ?
C22 N5 C30 C21 85.5(16) 2_655 . . 2_655 ?
C24 N5 C30 C21 -143.2(12) 2_655 . . 2_655 ?
N7 N5 C30 C21 68.8(10) 2_655 . . 2_655 ?
C17 N5 C30 C21 124.8(11) . . . 2_655 ?
Ni3 N5 C30 C21 -4.0(11) . . . 2_655 ?
C22 N5 C30 C29 148.5(18) 2_655 . . . ?
C24 N5 C30 C29 -80.3(11) 2_655 . . . ?
N7 N5 C30 C29 131.7(9) 2_655 . . . ?
C17 N5 C30 C29 -172.3(10) . . . . ?
C21 N5 C30 C29 63.0(10) 2_655 . . . ?
Ni3 N5 C30 C29 59.0(11) . . . . ?
C22 N5 C30 C31 26.0(16) 2_655 . . . ?
C24 N5 C30 C31 157.2(13) 2_655 . . . ?
N7 N5 C30 C31 9.3(13) 2_655 . . . ?
C17 N5 C30 C31 65.2(13) . . . . ?
C21 N5 C30 C31 -59.5(10) 2_655 . . . ?
Ni3 N5 C30 C31 -63.5(12) . . . . ?
C22 N5 C30 C32 -93.1(18) 2_655 . . . ?
C24 N5 C30 C32 38.1(13) 2_655 . . . ?
N7 N5 C30 C32 -109.9(11) 2_655 . . . ?
C17 N5 C30 C32 -53.9(14) . . . . ?
C21 N5 C30 C32 -178.7(14) 2_655 . . . ?
Ni3 N5 C30 C32 177.4(10) . . . . ?
C22 N5 C30 C24 -131.3(18) 2_655 . . 2_655 ?
N7 N5 C30 C24 -148.0(12) 2_655 . . 2_655 ?
C17 N5 C30 C24 -92.0(12) . . . 2_655 ?
C21 N5 C30 C24 143.2(12) 2_655 . . 2_655 ?
Ni3 N5 C30 C24 139.2(13) . . . 2_655 ?
C22 N5 C30 C23 -27.9(16) 2_655 . . 2_655 ?
C24 N5 C30 C23 103.3(11) 2_655 . . 2_655 ?
N7 N5 C30 C23 -44.7(10) 2_655 . . 2_655 ?
C17 N5 C30 C23 11.3(13) . . . 2_655 ?
C21 N5 C30 C23 -113.4(11) 2_655 . . 2_655 ?
Ni3 N5 C30 C23 -117.4(9) . . . 2_655 ?
C27 C29 C30 C22 -41(2) . . . 2_655 ?
C21 C29 C30 C22 -53.6(18) 2_655 . . 2_655 ?
C19 C29 C30 C22 -21(2) 2_655 . . 2_655 ?
C27 C29 C30 C21 12.2(12) . . . 2_655 ?
C19 C29 C30 C21 33.0(8) 2_655 . . 2_655 ?
C27 C29 C30 N5 -65.3(14) . . . . ?
C21 C29 C30 N5 -77.5(10) 2_655 . . . ?
C19 C29 C30 N5 -44.5(11) 2_655 . . . ?
C27 C29 C30 C31 56.0(15) . . . . ?
C21 C29 C30 C31 43.8(10) 2_655 . . . ?
C19 C29 C30 C31 76.7(11) 2_655 . . . ?
C27 C29 C30 C32 177.7(12) . . . . ?
C21 C29 C30 C32 165.6(13) 2_655 . . . ?
C19 C29 C30 C32 -161.5(11) 2_655 . . . ?
C27 C29 C30 C24 -108.7(12) . . . 2_655 ?
C21 C29 C30 C24 -120.9(10) 2_655 . . 2_655 ?
C19 C29 C30 C24 -87.9(10) 2_655 . . 2_655 ?
C27 C29 C30 C23 105(3) . . . 2_655 ?
C21 C29 C30 C23 93(3) 2_655 . . 2_655 ?
C19 C29 C30 C23 126(3) 2_655 . . 2_655 ?
C23 C32 C30 C22 50.9(13) 2_655 . . 2_655 ?
C24 C32 C30 C22 -60.7(12) 2_655 . . 2_655 ?
C23 C32 C30 C21 -90(5) 2_655 . . 2_655 ?
C24 C32 C30 C21 159(5) 2_655 . . 2_655 ?
C22 C32 C30 C21 -140(6) 2_655 . . 2_655 ?
C23 C32 C30 N5 85.0(11) 2_655 . . . ?
C24 C32 C30 N5 -26.6(9) 2_655 . . . ?
C22 C32 C30 N5 34.1(9) 2_655 . . . ?
C23 C32 C30 C29 -156.4(11) 2_655 . . . ?
C24 C32 C30 C29 92.0(11) 2_655 . . . ?
C22 C32 C30 C29 152.7(17) 2_655 . . . ?
C23 C32 C30 C31 -33.7(11) 2_655 . . . ?
C24 C32 C30 C31 -145.4(12) 2_655 . . . ?
C22 C32 C30 C31 -84.6(16) 2_655 . . . ?
C23 C32 C30 C24 111.6(10) 2_655 . . 2_655 ?
C22 C32 C30 C24 60.7(12) 2_655 . . 2_655 ?
C24 C32 C30 C23 -111.6(10) 2_655 . . 2_655 ?
C22 C32 C30 C23 -50.9(13) 2_655 . . 2_655 ?
C22 C30 C31 C21 90.0(11) 2_655 . . 2_655 ?
N5 C30 C31 C21 76.1(10) . . . 2_655 ?
C29 C30 C31 C21 -45.3(10) . . . 2_655 ?
C32 C30 C31 C21 -166.7(14) . . . 2_655 ?
C24 C30 C31 C21 106(2) 2_655 . . 2_655 ?
C23 C30 C31 C21 155.3(12) 2_655 . . 2_655 ?
C22 C30 C31 C23 -65.3(12) 2_655 . . 2_655 ?
C21 C30 C31 C23 -155.3(12) 2_655 . . 2_655 ?
N5 C30 C31 C23 -79.3(10) . . . 2_655 ?
C29 C30 C31 C23 159.4(11) . . . 2_655 ?
C32 C30 C31 C23 38.0(12) . . . 2_655 ?
C24 C30 C31 C23 -50(2) 2_655 . . 2_655 ?
C21 C30 C31 C22 -90.0(11) 2_655 . . 2_655 ?
N5 C30 C31 C22 -13.9(9) . . . 2_655 ?
C29 C30 C31 C22 -135.3(14) . . . 2_655 ?
C32 C30 C31 C22 103.3(15) . . . 2_655 ?
C24 C30 C31 C22 15.7(18) 2_655 . . 2_655 ?
C23 C30 C31 C22 65.3(12) 2_655 . . 2_655 ?
C22 N5 C17 C25 -114(2) 2_655 . . 2_655 ?
C24 N5 C17 C25 145(2) 2_655 . . 2_655 ?
N7 N5 C17 C25 -39(2) 2_655 . . 2_655 ?
C30 N5 C17 C25 -136(2) . . . 2_655 ?
C21 N5 C17 C25 -87(2) 2_655 . . 2_655 ?
Ni3 N5 C17 C25 -3(3) . . . 2_655 ?
C22 N5 C17 N7 -74.7(11) 2_655 . . 2_655 ?
C24 N5 C17 N7 -175.8(12) 2_655 . . 2_655 ?
C30 N5 C17 N7 -97.0(11) . . . 2_655 ?
C21 N5 C17 N7 -47.5(12) 2_655 . . 2_655 ?
Ni3 N5 C17 N7 36.9(7) . . . 2_655 ?
C22 N5 C17 C18 -133.6(14) 2_655 . . . ?
C24 N5 C17 C18 125.3(13) 2_655 . . . ?
N7 N5 C17 C18 -58.9(11) 2_655 . . . ?
C30 N5 C17 C18 -155.9(11) . . . . ?
C21 N5 C17 C18 -106.4(13) 2_655 . . . ?
Ni3 N5 C17 C18 -22.0(13) . . . . ?
C24 N5 C17 C22 -101.0(13) 2_655 . . 2_655 ?
N7 N5 C17 C22 74.7(11) 2_655 . . 2_655 ?
C30 N5 C17 C22 -22.3(10) . . . 2_655 ?
C21 N5 C17 C22 27.2(11) 2_655 . . 2_655 ?
Ni3 N5 C17 C22 111.6(12) . . . 2_655 ?
C22 N5 C17 C24 101.0(13) 2_655 . . 2_655 ?
N7 N5 C17 C24 175.8(12) 2_655 . . 2_655 ?
C30 N5 C17 C24 78.7(11) . . . 2_655 ?
C21 N5 C17 C24 128.3(16) 2_655 . . 2_655 ?
Ni3 N5 C17 C24 -147.3(13) . . . 2_655 ?
C26 C18 C17 C25 -20.5(18) 2_655 . . 2_655 ?
N6 C18 C17 C25 -103(2) . . . 2_655 ?
N7 C18 C17 C25 -101.5(19) 2_655 . . 2_655 ?
N8 C18 C17 C25 -95(3) 2_655 . . 2_655 ?
Ni3 C18 C17 C25 -129.6(19) 2_655 . . 2_655 ?
C25 C18 C17 N7 101.5(19) 2_655 . . 2_655 ?
C26 C18 C17 N7 81.0(12) 2_655 . . 2_655 ?
N6 C18 C17 N7 -1.1(12) . . . 2_655 ?
N8 C18 C17 N7 7(3) 2_655 . . 2_655 ?
Ni3 C18 C17 N7 -28.1(8) 2_655 . . 2_655 ?
C25 C18 C17 N5 152(2) 2_655 . . . ?
C26 C18 C17 N5 131.8(13) 2_655 . . . ?
N6 C18 C17 N5 49.8(16) . . . . ?
N7 C18 C17 N5 50.8(10) 2_655 . . . ?
N8 C18 C17 N5 57(3) 2_655 . . . ?
Ni3 C18 C17 N5 22.7(13) 2_655 . . . ?
C25 C18 C17 C22 124(2) 2_655 . . 2_655 ?
C26 C18 C17 C22 103.1(17) 2_655 . . 2_655 ?
N6 C18 C17 C22 21(2) . . . 2_655 ?
N7 C18 C17 C22 22.1(12) 2_655 . . 2_655 ?
N8 C18 C17 C22 29(3) 2_655 . . 2_655 ?
Ni3 C18 C17 C22 -6.1(17) 2_655 . . 2_655 ?
C25 C18 C17 C24 -171(2) 2_655 . . 2_655 ?
C26 C18 C17 C24 168.8(11) 2_655 . . 2_655 ?
N6 C18 C17 C24 86.8(15) . . . 2_655 ?
N7 C18 C17 C24 87.9(12) 2_655 . . 2_655 ?
N8 C18 C17 C24 94(3) 2_655 . . 2_655 ?
Ni3 C18 C17 C24 59.7(13) 2_655 . . 2_655 ?
C17 N7 C25 C18 119(2) 2_655 . . 2_655 ?
N5 N7 C25 C18 94.7(15) 2_655 . . 2_655 ?
C22 N7 C25 C18 129.3(15) . . . 2_655 ?
N6 N7 C25 C18 -32.1(13) 2_655 . . 2_655 ?
Ni3 N7 C25 C18 13.4(17) 2_655 . . 2_655 ?
Ni3 N7 C25 C18 -8.8(15) . . . 2_655 ?
N5 N7 C25 C17 -24.6(13) 2_655 . . 2_655 ?
C22 N7 C25 C17 10.0(15) . . . 2_655 ?
C18 N7 C25 C17 -119(2) 2_655 . . 2_655 ?
N6 N7 C25 C17 -151.4(14) 2_655 . . 2_655 ?
Ni3 N7 C25 C17 -106.0(13) 2_655 . . 2_655 ?
Ni3 N7 C25 C17 -128.1(12) . . . 2_655 ?
C17 N7 C25 C26 177.4(18) 2_655 . . . ?
N5 N7 C25 C26 152.8(9) 2_655 . . . ?
C22 N7 C25 C26 -172.6(10) . . . . ?
C18 N7 C25 C26 58.1(14) 2_655 . . . ?
N6 N7 C25 C26 26.0(9) 2_655 . . . ?
Ni3 N7 C25 C26 71.4(12) 2_655 . . . ?
Ni3 N7 C25 C26 49.3(11) . . . . ?
C17 N7 C25 N6 151.4(14) 2_655 . . 2_655 ?
N5 N7 C25 N6 126.8(8) 2_655 . . 2_655 ?
C22 N7 C25 N6 161.4(10) . . . 2_655 ?
C18 N7 C25 N6 32.1(13) 2_655 . . 2_655 ?
Ni3 N7 C25 N6 45.4(7) 2_655 . . 2_655 ?
Ni3 N7 C25 N6 23.3(4) . . . 2_655 ?
C19 N8 C26 C18 133.1(17) 2_655 . . 2_655 ?
N6 N8 C26 C18 54.0(8) 2_655 . . 2_655 ?
C27 N8 C26 C18 173.1(10) . . . 2_655 ?
C20 N8 C26 C18 170.9(11) 2_655 . . 2_655 ?
Ni3 N8 C26 C18 42.6(9) . . . 2_655 ?
C19 N8 C26 C25 119.7(18) 2_655 . . . ?
N6 N8 C26 C25 40.5(10) 2_655 . . . ?
C27 N8 C26 C25 159.6(9) . . . . ?
C20 N8 C26 C25 157.5(11) 2_655 . . . ?
C18 N8 C26 C25 -13.4(7) 2_655 . . . ?
Ni3 N8 C26 C25 29.2(10) . . . . ?
C19 N8 C26 N6 79.1(17) 2_655 . . 2_655 ?
C27 N8 C26 N6 119.1(11) . . . 2_655 ?
C20 N8 C26 N6 117.0(10) 2_655 . . 2_655 ?
C18 N8 C26 N6 -54.0(8) 2_655 . . 2_655 ?
Ni3 N8 C26 N6 -11.4(5) . . . 2_655 ?
C19 N8 C26 C20 -37.9(17) 2_655 . . 2_655 ?
N6 N8 C26 C20 -117.0(10) 2_655 . . 2_655 ?
C27 N8 C26 C20 2.1(10) . . . 2_655 ?
C18 N8 C26 C20 -170.9(11) 2_655 . . 2_655 ?
Ni3 N8 C26 C20 -128.4(9) . . . 2_655 ?
C17 C25 C26 C18 -73(6) 2_655 . . 2_655 ?
N7 C25 C26 C18 -80.3(14) . . . 2_655 ?
N6 C25 C26 C18 -53.4(12) 2_655 . . 2_655 ?
C18 C25 C26 N8 25.7(13) 2_655 . . . ?
C17 C25 C26 N8 -47(6) 2_655 . . . ?
N7 C25 C26 N8 -54.7(13) . . . . ?
N6 C25 C26 N8 -27.7(7) 2_655 . . . ?
C18 C25 C26 N6 53.4(12) 2_655 . . 2_655 ?
C17 C25 C26 N6 -19(6) 2_655 . . 2_655 ?
N7 C25 C26 N6 -26.9(9) . . . 2_655 ?
C18 C25 C26 C20 71(3) 2_655 . . 2_655 ?
C17 C25 C26 C20 -2(8) 2_655 . . 2_655 ?
N7 C25 C26 C20 -9(3) . . . 2_655 ?
N6 C25 C26 C20 17(2) 2_655 . . 2_655 ?
C17 N7 C22 N5 -69.8(11) 2_655 . . 2_655 ?
C25 N7 C22 N5 -76.5(14) . . . 2_655 ?
C18 N7 C22 N5 -46.9(16) 2_655 . . 2_655 ?
N6 N7 C22 N5 45(3) 2_655 . . 2_655 ?
Ni3 N7 C22 N5 56.3(10) 2_655 . . 2_655 ?
Ni3 N7 C22 N5 52.6(11) . . . 2_655 ?
C17 N7 C22 C30 -156(6) 2_655 . . 2_655 ?
N5 N7 C22 C30 -86(6) 2_655 . . 2_655 ?
C25 N7 C22 C30 -162(6) . . . 2_655 ?
C18 N7 C22 C30 -133(6) 2_655 . . 2_655 ?
N6 N7 C22 C30 -41(7) 2_655 . . 2_655 ?
Ni3 N7 C22 C30 -29(6) 2_655 . . 2_655 ?
Ni3 N7 C22 C30 -33(6) . . . 2_655 ?
C17 N7 C22 C21 -166.4(12) 2_655 . . . ?
N5 N7 C22 C21 -96.6(14) 2_655 . . . ?
C25 N7 C22 C21 -173.1(10) . . . . ?
C18 N7 C22 C21 -143.5(11) 2_655 . . . ?
N6 N7 C22 C21 -52(3) 2_655 . . . ?
Ni3 N7 C22 C21 -40.2(10) 2_655 . . . ?
Ni3 N7 C22 C21 -44.0(13) . . . . ?
C17 N7 C22 C23 75.6(12) 2_655 . . . ?
N5 N7 C22 C23 145.4(15) 2_655 . . . ?
C25 N7 C22 C23 68.9(14) . . . . ?
C18 N7 C22 C23 98.5(14) 2_655 . . . ?
N6 N7 C22 C23 -170(2) 2_655 . . . ?
Ni3 N7 C22 C23 -158.3(9) 2_655 . . . ?
Ni3 N7 C22 C23 -162.0(9) . . . . ?
C17 N7 C22 C24 -45.5(11) 2_655 . . . ?
N5 N7 C22 C24 24.3(9) 2_655 . . . ?
C25 N7 C22 C24 -52.2(14) . . . . ?
C18 N7 C22 C24 -22.6(16) 2_655 . . . ?
N6 N7 C22 C24 69(2) 2_655 . . . ?
Ni3 N7 C22 C24 80.6(9) 2_655 . . . ?
Ni3 N7 C22 C24 76.9(10) . . . . ?
C17 N7 C22 C31 135.0(12) 2_655 . . 2_655 ?
N5 N7 C22 C31 -155.2(15) 2_655 . . 2_655 ?
C25 N7 C22 C31 128.3(11) . . . 2_655 ?
C18 N7 C22 C31 157.9(11) 2_655 . . 2_655 ?
N6 N7 C22 C31 -110(2) 2_655 . . 2_655 ?
Ni3 N7 C22 C31 -98.9(9) 2_655 . . 2_655 ?
Ni3 N7 C22 C31 -102.6(10) . . . 2_655 ?
N5 N7 C22 C17 69.8(11) 2_655 . . 2_655 ?
C25 N7 C22 C17 -6.7(11) . . . 2_655 ?
C18 N7 C22 C17 22.9(12) 2_655 . . 2_655 ?
N6 N7 C22 C17 115(2) 2_655 . . 2_655 ?
Ni3 N7 C22 C17 126.1(9) 2_655 . . 2_655 ?
Ni3 N7 C22 C17 122.4(10) . . . 2_655 ?
C17 N7 C22 C32 20(2) 2_655 . . 2_655 ?
N5 N7 C22 C32 90(2) 2_655 . . 2_655 ?
C25 N7 C22 C32 13(3) . . . 2_655 ?
C18 N7 C22 C32 43(3) 2_655 . . 2_655 ?
N6 N7 C22 C32 135(2) 2_655 . . 2_655 ?
Ni3 N7 C22 C32 146.2(19) 2_655 . . 2_655 ?
Ni3 N7 C22 C32 142.5(17) . . . 2_655 ?
C17 N7 C22 Ni3 -126.1(9) 2_655 . . 2_655 ?
N5 N7 C22 Ni3 -56.3(10) 2_655 . . 2_655 ?
C25 N7 C22 Ni3 -132.9(10) . . . 2_655 ?
C18 N7 C22 Ni3 -103.3(12) 2_655 . . 2_655 ?
N6 N7 C22 Ni3 -11(2) 2_655 . . 2_655 ?
Ni3 N7 C22 Ni3 -3.7(4) . . . 2_655 ?
N5 C22 C21 C30 106.1(16) 2_655 . . 2_655 ?
N7 C22 C21 C30 176.7(16) . . . 2_655 ?
C23 C22 C21 C30 -66.0(12) . . . 2_655 ?
C24 C22 C21 C30 57.4(12) . . . 2_655 ?
C31 C22 C21 C30 -82.2(11) 2_655 . . 2_655 ?
C17 C22 C21 C30 156(3) 2_655 . . 2_655 ?
C32 C22 C21 C30 -6.8(10) 2_655 . . 2_655 ?
Ni3 C22 C21 C30 144.4(12) 2_655 . . 2_655 ?
N5 C22 C21 C31 -171.7(13) 2_655 . . 2_655 ?
C30 C22 C21 C31 82.2(11) 2_655 . . 2_655 ?
N7 C22 C21 C31 -101.1(11) . . . 2_655 ?
C23 C22 C21 C31 16.2(11) . . . 2_655 ?
C24 C22 C21 C31 139.6(11) . . . 2_655 ?
C17 C22 C21 C31 -121(2) 2_655 . . 2_655 ?
C32 C22 C21 C31 75.4(10) 2_655 . . 2_655 ?
Ni3 C22 C21 C31 -133.4(8) 2_655 . . 2_655 ?
N5 C22 C21 C19 0.3(17) 2_655 . . . ?
C30 C22 C21 C19 -105.8(15) 2_655 . . . ?
N7 C22 C21 C19 70.9(14) . . . . ?
C23 C22 C21 C19 -171.8(11) . . . . ?
C24 C22 C21 C19 -48.4(15) . . . . ?
C31 C22 C21 C19 172.0(14) 2_655 . . . ?
C17 C22 C21 C19 51(3) 2_655 . . . ?
C32 C22 C21 C19 -112.6(12) 2_655 . . . ?
Ni3 C22 C21 C19 38.6(10) 2_655 . . . ?
N5 C22 C21 C29 75.0(13) 2_655 . . 2_655 ?
C30 C22 C21 C29 -31.1(12) 2_655 . . 2_655 ?
N7 C22 C21 C29 145.6(10) . . . 2_655 ?
C23 C22 C21 C29 -97.1(11) . . . 2_655 ?
C24 C22 C21 C29 26.3(12) . . . 2_655 ?
C31 C22 C21 C29 -113.3(11) 2_655 . . 2_655 ?
C17 C22 C21 C29 125(2) 2_655 . . 2_655 ?
C32 C22 C21 C29 -37.9(11) 2_655 . . 2_655 ?
Ni3 C22 C21 C29 113.3(8) 2_655 . . 2_655 ?
N5 C22 C21 C27 33(2) 2_655 . . 2_655 ?
C30 C22 C21 C27 -72.8(18) 2_655 . . 2_655 ?
N7 C22 C21 C27 103.9(16) . . . 2_655 ?
C23 C22 C21 C27 -138.9(14) . . . 2_655 ?
C24 C22 C21 C27 -15.4(19) . . . 2_655 ?
C31 C22 C21 C27 -155.0(18) 2_655 . . 2_655 ?
C17 C22 C21 C27 84(3) 2_655 . . 2_655 ?
C32 C22 C21 C27 -79.6(17) 2_655 . . 2_655 ?
Ni3 C22 C21 C27 71.5(14) 2_655 . . 2_655 ?
C30 C22 C21 N5 -106.1(16) 2_655 . . 2_655 ?
N7 C22 C21 N5 70.7(12) . . . 2_655 ?
C23 C22 C21 N5 -172.1(17) . . . 2_655 ?
C24 C22 C21 N5 -48.7(11) . . . 2_655 ?
C31 C22 C21 N5 171.7(13) 2_655 . . 2_655 ?
C17 C22 C21 N5 50(2) 2_655 . . 2_655 ?
C32 C22 C21 N5 -112.8(15) 2_655 . . 2_655 ?
Ni3 C22 C21 N5 38.3(10) 2_655 . . 2_655 ?
N5 C22 C21 Ni3 -38.3(10) 2_655 . . 2_655 ?
C30 C22 C21 Ni3 -144.4(12) 2_655 . . 2_655 ?
N7 C22 C21 Ni3 32.4(8) . . . 2_655 ?
C23 C22 C21 Ni3 149.6(10) . . . 2_655 ?
C24 C22 C21 Ni3 -87.0(9) . . . 2_655 ?
C31 C22 C21 Ni3 133.4(8) 2_655 . . 2_655 ?
C17 C22 C21 Ni3 12(2) 2_655 . . 2_655 ?
C32 C22 C21 Ni3 -151.2(9) 2_655 . . 2_655 ?
C30 C22 C24 N5 134.5(18) 2_655 . . 2_655 ?
N7 C22 C24 N5 -31.4(12) . . . 2_655 ?
C21 C22 C24 N5 88.7(16) . . . 2_655 ?
C23 C22 C24 N5 -149.7(16) . . . 2_655 ?
C31 C22 C24 N5 148(2) 2_655 . . 2_655 ?
C17 C22 C24 N5 -62.3(12) 2_655 . . 2_655 ?
C32 C22 C24 N5 -177.9(16) 2_655 . . 2_655 ?
Ni3 C22 C24 N5 18.9(12) 2_655 . . 2_655 ?
N5 C22 C24 C30 -134.5(18) 2_655 . . 2_655 ?
N7 C22 C24 C30 -165.9(15) . . . 2_655 ?
C21 C22 C24 C30 -45.8(10) . . . 2_655 ?
C23 C22 C24 C30 75.8(12) . . . 2_655 ?
C31 C22 C24 C30 13.4(15) 2_655 . . 2_655 ?
C17 C22 C24 C30 163.2(13) 2_655 . . 2_655 ?
C32 C22 C24 C30 47.7(10) 2_655 . . 2_655 ?
Ni3 C22 C24 C30 -115.6(11) 2_655 . . 2_655 ?
N5 C22 C24 C32 177.9(16) 2_655 . . 2_655 ?
C30 C22 C24 C32 -47.7(10) 2_655 . . 2_655 ?
N7 C22 C24 C32 146.4(10) . . . 2_655 ?
C21 C22 C24 C32 -93.4(11) . . . 2_655 ?
C23 C22 C24 C32 28.2(11) . . . 2_655 ?
C31 C22 C24 C32 -34.3(19) 2_655 . . 2_655 ?
C17 C22 C24 C32 115.5(9) 2_655 . . 2_655 ?
Ni3 C22 C24 C32 -163.3(8) 2_655 . . 2_655 ?
N5 C22 C24 C17 62.3(12) 2_655 . . 2_655 ?
C30 C22 C24 C17 -163.2(13) 2_655 . . 2_655 ?
N7 C22 C24 C17 30.9(7) . . . 2_655 ?
C21 C22 C24 C17 151.0(12) . . . 2_655 ?
C23 C22 C24 C17 -87.4(10) . . . 2_655 ?
C31 C22 C24 C17 -150(2) 2_655 . . 2_655 ?
C32 C22 C24 C17 -115.5(9) 2_655 . . 2_655 ?
Ni3 C22 C24 C17 81.2(6) 2_655 . . 2_655 ?
Ni3 N6 C19 N8 -124.1(14) 2_655 . . 2_655 ?
C18 N6 C19 N8 0.5(18) . . . 2_655 ?
C26 N6 C19 N8 37.8(13) 2_655 . . 2_655 ?
N7 N6 C19 N8 104(8) 2_655 . . 2_655 ?
C25 N6 C19 N8 22(2) 2_655 . . 2_655 ?
Ni3 N6 C19 N8 -127.9(14) . . . 2_655 ?
N8 N6 C19 C27 -73(3) 2_655 . . 2_655 ?
Ni3 N6 C19 C27 163(3) 2_655 . . 2_655 ?
C18 N6 C19 C27 -72(3) . . . 2_655 ?
C26 N6 C19 C27 -35(3) 2_655 . . 2_655 ?
N7 N6 C19 C27 31(9) 2_655 . . 2_655 ?
C25 N6 C19 C27 -51(3) 2_655 . . 2_655 ?
Ni3 N6 C19 C27 159(2) . . . 2_655 ?
N8 N6 C19 C20 -71.8(15) 2_655 . . . ?
Ni3 N6 C19 C20 164.1(11) 2_655 . . . ?
C18 N6 C19 C20 -71.3(16) . . . . ?
C26 N6 C19 C20 -34.0(13) 2_655 . . . ?
N7 N6 C19 C20 32(8) 2_655 . . . ?
C25 N6 C19 C20 -50.0(19) 2_655 . . . ?
Ni3 N6 C19 C20 160.3(10) . . . . ?
N8 N6 C19 C21 163(2) 2_655 . . . ?
Ni3 N6 C19 C21 39.0(14) 2_655 . . . ?
C18 N6 C19 C21 163.6(11) . . . . ?
C26 N6 C19 C21 -159.1(12) 2_655 . . . ?
N7 N6 C19 C21 -93(8) 2_655 . . . ?
C25 N6 C19 C21 -175.1(10) 2_655 . . . ?
Ni3 N6 C19 C21 35.2(16) . . . . ?
N8 N6 C19 C29 112(4) 2_655 . . 2_655 ?
Ni3 N6 C19 C29 -12(3) 2_655 . . 2_655 ?
C18 N6 C19 C29 112(3) . . . 2_655 ?
C26 N6 C19 C29 150(3) 2_655 . . 2_655 ?
N7 N6 C19 C29 -144(6) 2_655 . . 2_655 ?
C25 N6 C19 C29 134(2) 2_655 . . 2_655 ?
Ni3 N6 C19 C29 -16(3) . . . 2_655 ?
N8 N6 C19 Ni3 124.1(14) 2_655 . . 2_655 ?
C18 N6 C19 Ni3 124.6(14) . . . 2_655 ?
C26 N6 C19 Ni3 161.9(9) 2_655 . . 2_655 ?
N7 N6 C19 Ni3 -132(8) 2_655 . . 2_655 ?
C25 N6 C19 Ni3 145.8(16) 2_655 . . 2_655 ?
Ni3 N6 C19 Ni3 -3.8(3) . . . 2_655 ?
C27 C20 C19 N8 131(2) 2_655 . . 2_655 ?
C28 C20 C19 N8 89.5(19) 2_655 . . 2_655 ?
C26 C20 C19 N8 -21.7(11) 2_655 . . 2_655 ?
C28 C20 C19 C27 -41.0(18) 2_655 . . 2_655 ?
N8 C20 C19 C27 -131(2) 2_655 . . 2_655 ?
C26 C20 C19 C27 -152(2) 2_655 . . 2_655 ?
C27 C20 C19 N6 -179(2) 2_655 . . . ?
C28 C20 C19 N6 139.8(15) 2_655 . . . ?
N8 C20 C19 N6 50.2(10) 2_655 . . . ?
C26 C20 C19 N6 28.5(10) 2_655 . . . ?
C27 C20 C19 C21 -53.5(19) 2_655 . . . ?
C28 C20 C19 C21 -94.5(19) 2_655 . . . ?
N8 C20 C19 C21 175.9(19) 2_655 . . . ?
C26 C20 C19 C21 154.2(11) 2_655 . . . ?
C27 C20 C19 C29 -0.6(18) 2_655 . . 2_655 ?
C28 C20 C19 C29 -41.6(18) 2_655 . . 2_655 ?
N8 C20 C19 C29 -131.2(16) 2_655 . . 2_655 ?
C26 C20 C19 C29 -152.9(9) 2_655 . . 2_655 ?
C27 C20 C19 Ni3 -164(2) 2_655 . . 2_655 ?
C28 C20 C19 Ni3 154.6(14) 2_655 . . 2_655 ?
N8 C20 C19 Ni3 65.0(16) 2_655 . . 2_655 ?
C26 C20 C19 Ni3 43.3(18) 2_655 . . 2_655 ?
C30 C21 C19 N8 -67(6) 2_655 . . 2_655 ?
C31 C21 C19 N8 99(10) 2_655 . . 2_655 ?
C22 C21 C19 N8 -22(6) . . . 2_655 ?
C29 C21 C19 N8 -113(5) 2_655 . . 2_655 ?
C27 C21 C19 N8 -163(6) 2_655 . . 2_655 ?
N5 C21 C19 N8 -22(5) 2_655 . . 2_655 ?
Ni3 C21 C19 N8 23(5) 2_655 . . 2_655 ?
C30 C21 C19 C27 95.8(16) 2_655 . . 2_655 ?
C31 C21 C19 C27 -98(8) 2_655 . . 2_655 ?
C22 C21 C19 C27 140.3(14) . . . 2_655 ?
C29 C21 C19 C27 50.1(12) 2_655 . . 2_655 ?
N5 C21 C19 C27 140.4(13) 2_655 . . 2_655 ?
Ni3 C21 C19 C27 -174.0(15) 2_655 . . 2_655 ?
C30 C21 C19 N6 -111.8(14) 2_655 . . . ?
C31 C21 C19 N6 54(9) 2_655 . . . ?
C22 C21 C19 N6 -67.3(16) . . . . ?
C29 C21 C19 N6 -157.4(14) 2_655 . . . ?
C27 C21 C19 N6 152(2) 2_655 . . . ?
N5 C21 C19 N6 -67.1(12) 2_655 . . . ?
Ni3 C21 C19 N6 -21.5(8) 2_655 . . . ?
C30 C21 C19 C20 125.4(14) 2_655 . . . ?
C31 C21 C19 C20 -69(8) 2_655 . . . ?
C22 C21 C19 C20 169.9(12) . . . . ?
C29 C21 C19 C20 79.8(13) 2_655 . . . ?
C27 C21 C19 C20 29.6(12) 2_655 . . . ?
N5 C21 C19 C20 170.0(12) 2_655 . . . ?
Ni3 C21 C19 C20 -144.3(14) 2_655 . . . ?
C30 C21 C19 C29 45.7(11) 2_655 . . 2_655 ?
C31 C21 C19 C29 -149(8) 2_655 . . 2_655 ?
C22 C21 C19 C29 90.2(12) . . . 2_655 ?
C27 C21 C19 C29 -50.1(12) 2_655 . . 2_655 ?
N5 C21 C19 C29 90.3(8) 2_655 . . 2_655 ?
Ni3 C21 C19 C29 135.9(8) 2_655 . . 2_655 ?
C30 C21 C19 Ni3 -90.2(12) 2_655 . . 2_655 ?
C31 C21 C19 Ni3 75(8) 2_655 . . 2_655 ?
C22 C21 C19 Ni3 -45.7(11) . . . 2_655 ?
C29 C21 C19 Ni3 -135.9(8) 2_655 . . 2_655 ?
C27 C21 C19 Ni3 174.0(15) 2_655 . . 2_655 ?
N5 C21 C19 Ni3 -45.6(6) 2_655 . . 2_655 ?
N5 C22 C23 C31 178(3) 2_655 . . 2_655 ?
C30 C22 C23 C31 -65.9(10) 2_655 . . 2_655 ?
N7 C22 C23 C31 102.6(10) . . . 2_655 ?
C21 C22 C23 C31 -15.9(11) . . . 2_655 ?
C24 C22 C23 C31 -138.7(11) . . . 2_655 ?
C17 C22 C23 C31 145.3(10) 2_655 . . 2_655 ?
C32 C22 C23 C31 -109.0(11) 2_655 . . 2_655 ?
Ni3 C22 C23 C31 65.7(19) 2_655 . . 2_655 ?
N5 C22 C23 C30 -116(3) 2_655 . . 2_655 ?
N7 C22 C23 C30 168.5(15) . . . 2_655 ?
C21 C22 C23 C30 49.9(10) . . . 2_655 ?
C24 C22 C23 C30 -72.8(12) . . . 2_655 ?
C31 C22 C23 C30 65.9(10) 2_655 . . 2_655 ?
C17 C22 C23 C30 -148.8(13) 2_655 . . 2_655 ?
C32 C22 C23 C30 -43.1(11) 2_655 . . 2_655 ?
Ni3 C22 C23 C30 132(2) 2_655 . . 2_655 ?
N5 C22 C23 C32 -73(3) 2_655 . . 2_655 ?
C30 C22 C23 C32 43.1(11) 2_655 . . 2_655 ?
N7 C22 C23 C32 -148.4(10) . . . 2_655 ?
C21 C22 C23 C32 93.1(11) . . . 2_655 ?
C24 C22 C23 C32 -29.6(11) . . . 2_655 ?
C31 C22 C23 C32 109.0(11) 2_655 . . 2_655 ?
C17 C22 C23 C32 -105.7(10) 2_655 . . 2_655 ?
Ni3 C22 C23 C32 174.7(16) 2_655 . . 2_655 ?
