#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:04:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179950 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/45/7024500.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_7024500
loop_
_publ_author_name
'Dash, Chandrakanta'
'Shaikh, Mobin M.'
'Butcher, Ray J.'
'Ghosh, Prasenjit'
_publ_section_title
;
 A comparison between nickel and palladium precatalysts of 1,2,4-triazole
 based N-heterocyclic carbenes in hydroamination of activated olefins.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2515
_journal_page_last               2524
_journal_paper_doi               10.1039/b917892a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C14 H26 Br2 N6 Ni'
_chemical_formula_weight         496.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.131(3)
_cell_angle_beta                 109.498(3)
_cell_angle_gamma                105.581(3)
_cell_formula_units_Z            2
_cell_length_a                   11.1745(4)
_cell_length_b                   11.4189(4)
_cell_length_c                   13.8592(5)
_cell_measurement_reflns_used    9647
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.2839
_cell_measurement_theta_min      3.0811
_cell_volume                     1515.72(11)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12495
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    4.921
_exptl_absorpt_correction_T_max  0.4107
_exptl_absorpt_correction_T_min  0.2854
_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            red
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.813
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         5282
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0245
_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)+(0.0380P)²+0.2569P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0617
_refine_ls_wR_factor_ref         0.0634
_reflns_number_gt                4357
_reflns_number_total             5282
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b917892a.txt
_cod_data_source_block           pg190
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1515.71(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024500
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.0000 0.0000 0.0000 0.01427(11) Uani 1 2 d S
Ni2 Ni 0.37239(3) 0.26595(3) 0.67470(3) 0.01560(9) Uani 1 1 d .
Br1 Br 0.10252(3) 0.10074(3) 0.18617(2) 0.02623(8) Uani 1 1 d .
Br2 Br 0.48350(3) 0.33391(3) 0.86223(2) 0.03115(9) Uani 1 1 d .
Br3 Br 0.27616(3) 0.19770(3) 0.48673(2) 0.02645(9) Uani 1 1 d .
N1 N 0.0249(2) 0.2391(2) -0.04918(17) 0.0198(5) Uani 1 1 d .
N2 N 0.2177(2) 0.2220(2) 0.00763(17) 0.0196(5) Uani 1 1 d .
N3 N 0.1145(2) 0.3514(2) -0.0455(2) 0.0277(6) Uani 1 1 d .
N4 N 0.3832(2) 0.5214(2) 0.68290(18) 0.0222(5) Uani 1 1 d .
N5 N 0.5553(2) 0.5007(2) 0.6625(2) 0.0276(6) Uani 1 1 d .
N6 N 0.4501(2) 0.6374(2) 0.6755(2) 0.0310(6) Uani 1 1 d .
N7 N 0.1630(2) 0.0570(2) 0.68509(17) 0.0180(5) Uani 1 1 d .
N8 N 0.3112(2) -0.0076(2) 0.65460(17) 0.0185(5) Uani 1 1 d .
N9 N 0.2185(2) -0.1143(2) 0.65679(18) 0.0226(5) Uani 1 1 d .
C1 C 0.0839(3) 0.1587(2) -0.01644(19) 0.0176(6) Uani 1 1 d .
C2 C 0.2303(3) 0.3370(3) -0.0104(2) 0.0269(7) Uani 1 1 d .
H2 H 0.3144 0.3991 0.0015 0.032 Uiso 1 1 calc R
C3 C -0.1198(3) 0.2214(3) -0.0802(2) 0.0235(6) Uani 1 1 d .
H3 H -0.1709 0.1299 -0.0906 0.028 Uiso 1 1 calc R
C4 C -0.1363(3) 0.3073(3) 0.0105(3) 0.0477(9) Uani 1 1 d .
H4A H -0.0918 0.2931 0.0787 0.071 Uiso 1 1 calc R
H4B H -0.2336 0.2864 -0.0067 0.071 Uiso 1 1 calc R
H4C H -0.0941 0.3977 0.0179 0.071 Uiso 1 1 calc R
C5 C -0.1761(3) 0.2440(4) -0.1868(3) 0.0489(10) Uani 1 1 d .
H5A H -0.1225 0.3309 -0.1805 0.073 Uiso 1 1 calc R
H5B H -0.2715 0.2352 -0.2058 0.073 Uiso 1 1 calc R
H5C H -0.1709 0.1805 -0.2436 0.073 Uiso 1 1 calc R
C6 C 0.3289(3) 0.1753(3) 0.0485(2) 0.0272(7) Uani 1 1 d .
H6A H 0.3264 0.1511 0.1125 0.033 Uiso 1 1 calc R
H6B H 0.4173 0.2461 0.0723 0.033 Uiso 1 1 calc R
C7 C 0.3204(3) 0.0619(3) -0.0343(2) 0.0326(7) Uani 1 1 d .
H7A H 0.2303 -0.0062 -0.0624 0.049 Uiso 1 1 calc R
H7B H 0.3912 0.0297 -0.0007 0.049 Uiso 1 1 calc R
H7C H 0.3341 0.0880 -0.0940 0.049 Uiso 1 1 calc R
C8 C 0.4439(3) 0.4366(2) 0.6755(2) 0.0195(6) Uani 1 1 d .
C9 C 0.5555(3) 0.6211(3) 0.6633(3) 0.0328(7) Uani 1 1 d .
H9 H 0.6239 0.6844 0.6559 0.039 Uiso 1 1 calc R
C10 C 0.2550(3) 0.5004(3) 0.6959(3) 0.0329(7) Uani 1 1 d .
H10 H 0.2219 0.4110 0.6984 0.040 Uiso 1 1 calc R
C11 C 0.2775(4) 0.5923(4) 0.8019(3) 0.0634(12) Uani 1 1 d .
H11A H 0.3428 0.5791 0.8624 0.095 Uiso 1 1 calc R
H11B H 0.1906 0.5763 0.8089 0.095 Uiso 1 1 calc R
H11C H 0.3138 0.6812 0.8033 0.095 Uiso 1 1 calc R
C12 C 0.1483(4) 0.5079(4) 0.5977(4) 0.0633(12) Uani 1 1 d .
H12A H 0.1772 0.5952 0.5939 0.095 Uiso 1 1 calc R
H12B H 0.0608 0.4874 0.6041 0.095 Uiso 1 1 calc R
H12C H 0.1378 0.4461 0.5318 0.095 Uiso 1 1 calc R
C13 C 0.6575(3) 0.4489(3) 0.6469(3) 0.0523(10) Uani 1 1 d .
H13A H 0.6367 0.3630 0.6560 0.063 Uiso 1 1 calc R
H13B H 0.6469 0.4363 0.5712 0.063 Uiso 1 1 calc R
C14 C 0.7917(4) 0.5227(4) 0.7149(6) 0.130(3) Uani 1 1 d .
H14A H 0.8171 0.6049 0.7016 0.195 Uiso 1 1 calc R
H14B H 0.8502 0.4769 0.7011 0.195 Uiso 1 1 calc R
H14C H 0.8036 0.5388 0.7904 0.195 Uiso 1 1 calc R
C15 C 0.2808(3) 0.0976(2) 0.67144(19) 0.0166(6) Uani 1 1 d .
C16 C 0.1299(3) -0.0708(2) 0.6750(2) 0.0221(6) Uani 1 1 d .
H16 H 0.0513 -0.1213 0.6806 0.027 Uiso 1 1 calc R
C17 C 0.0873(3) 0.1377(3) 0.7082(2) 0.0230(6) Uani 1 1 d .
H17A H 0.1527 0.2238 0.7595 0.028 Uiso 1 1 calc R
H17B H 0.0309 0.0988 0.7435 0.028 Uiso 1 1 calc R
C18 C -0.0046(3) 0.1525(3) 0.6059(2) 0.0258(6) Uani 1 1 d .
H18A H 0.0499 0.1850 0.5679 0.039 Uiso 1 1 calc R
H18B H -0.0467 0.2134 0.6255 0.039 Uiso 1 1 calc R
H18C H -0.0760 0.0687 0.5584 0.039 Uiso 1 1 calc R
C19 C 0.4331(3) -0.0168(3) 0.6407(2) 0.0218(6) Uani 1 1 d .
H19 H 0.4832 0.0665 0.6350 0.026 Uiso 1 1 calc R
C20 C 0.5263(3) -0.0358(3) 0.7398(2) 0.0332(7) Uani 1 1 d .
H20A H 0.5482 0.0344 0.8049 0.050 Uiso 1 1 calc R
H20B H 0.6106 -0.0356 0.7325 0.050 Uiso 1 1 calc R
H20C H 0.4801 -0.1183 0.7457 0.050 Uiso 1 1 calc R
C21 C 0.3921(3) -0.1232(3) 0.5362(2) 0.0326(7) Uani 1 1 d .
H21A H 0.3370 -0.2050 0.5378 0.049 Uiso 1 1 calc R
H21B H 0.4742 -0.1306 0.5288 0.049 Uiso 1 1 calc R
H21C H 0.3386 -0.1027 0.4745 0.049 Uiso 1 1 calc R
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'
Br Br -0.2901 2.4595 '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
C1 Ni1 C1 180.00(14) . 2
C1 Ni1 Br1 89.02(7) . .
C1 Ni1 Br1 90.98(7) 2 .
C1 Ni1 Br1 90.98(7) . 2
C1 Ni1 Br1 89.02(7) 2 2
Br1 Ni1 Br1 180.00(2) . 2
C8 Ni2 C15 173.21(11) . .
C8 Ni2 Br3 88.82(8) . .
C15 Ni2 Br3 90.25(7) . .
C8 Ni2 Br2 90.61(8) . .
C15 Ni2 Br2 90.80(7) . .
Br3 Ni2 Br2 175.818(19) . .
C1 N1 N3 114.0(2) . .
C1 N1 C3 126.3(2) . .
N3 N1 C3 119.6(2) . .
C1 N2 C2 108.1(2) . .
C1 N2 C6 125.5(2) . .
C2 N2 C6 126.4(2) . .
C2 N3 N1 102.9(2) . .
C8 N4 N6 114.3(2) . .
C8 N4 C10 126.0(2) . .
N6 N4 C10 119.7(2) . .
C8 N5 C9 108.6(2) . .
C8 N5 C13 125.9(2) . .
C9 N5 C13 125.5(3) . .
C9 N6 N4 102.8(2) . .
C15 N7 C16 108.1(2) . .
C15 N7 C17 125.4(2) . .
C16 N7 C17 126.5(2) . .
C15 N8 N9 113.9(2) . .
C15 N8 C19 126.4(2) . .
N9 N8 C19 119.6(2) . .
C16 N9 N8 102.9(2) . .
N1 C1 N2 103.0(2) . .
N1 C1 Ni1 127.51(19) . .
N2 C1 Ni1 129.41(19) . .
N3 C2 N2 112.0(2) . .
N3 C2 H2 124.0 . .
N2 C2 H2 124.0 . .
N1 C3 C5 109.8(2) . .
N1 C3 C4 110.1(2) . .
C5 C3 C4 113.1(3) . .
N1 C3 H3 107.9 . .
C5 C3 H3 107.9 . .
C4 C3 H3 107.9 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C3 C5 H5A 109.5 . .
C3 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C3 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N2 C6 C7 113.1(2) . .
N2 C6 H6A 109.0 . .
C7 C6 H6A 109.0 . .
N2 C6 H6B 109.0 . .
C7 C6 H6B 109.0 . .
H6A C6 H6B 107.8 . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
N4 C8 N5 103.1(2) . .
N4 C8 Ni2 124.49(19) . .
N5 C8 Ni2 132.3(2) . .
N6 C9 N5 111.2(3) . .
N6 C9 H9 124.4 . .
N5 C9 H9 124.4 . .
N4 C10 C12 109.6(3) . .
N4 C10 C11 111.0(3) . .
C12 C10 C11 113.3(3) . .
N4 C10 H10 107.6 . .
C12 C10 H10 107.6 . .
C11 C10 H10 107.6 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C14 C13 N5 116.2(4) . .
C14 C13 H13A 108.2 . .
N5 C13 H13A 108.2 . .
C14 C13 H13B 108.2 . .
N5 C13 H13B 108.2 . .
H13A C13 H13B 107.4 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N8 C15 N7 103.2(2) . .
N8 C15 Ni2 130.4(2) . .
N7 C15 Ni2 126.41(19) . .
N9 C16 N7 111.8(2) . .
N9 C16 H16 124.1 . .
N7 C16 H16 124.1 . .
N7 C17 C18 112.0(2) . .
N7 C17 H17A 109.2 . .
C18 C17 H17A 109.2 . .
N7 C17 H17B 109.2 . .
C18 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N8 C19 C21 110.1(2) . .
N8 C19 C20 109.7(2) . .
C21 C19 C20 112.8(2) . .
N8 C19 H19 108.1 . .
C21 C19 H19 108.1 . .
C20 C19 H19 108.1 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 C1 1.902(3) .
Ni1 C1 1.902(3) 2
Ni1 Br1 2.3162(3) .
Ni1 Br1 2.3162(3) 2
Ni2 C8 1.893(3) .
Ni2 C15 1.902(3) .
Ni2 Br3 2.3188(4) .
Ni2 Br2 2.3192(4) .
N1 C1 1.336(3) .
N1 N3 1.377(3) .
N1 C3 1.471(3) .
N2 C1 1.362(3) .
N2 C2 1.367(4) .
N2 C6 1.470(3) .
N3 C2 1.290(4) .
N4 C8 1.330(3) .
N4 N6 1.379(3) .
N4 C10 1.465(4) .
N5 C8 1.355(3) .
N5 C9 1.372(4) .
N5 C13 1.474(4) .
N6 C9 1.299(4) .
N7 C15 1.364(3) .
N7 C16 1.369(3) .
N7 C17 1.464(3) .
N8 C15 1.330(3) .
N8 N9 1.385(3) .
N8 C19 1.465(3) .
N9 C16 1.292(4) .
C2 H2 0.9500 .
C3 C5 1.508(4) .
C3 C4 1.519(4) .
C3 H3 1.0000 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.496(4) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C9 H9 0.9500 .
C10 C12 1.518(5) .
C10 C11 1.512(5) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.375(5) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C16 H16 0.9500 .
C17 C18 1.522(4) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C21 1.517(4) .
C19 C20 1.519(4) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
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
C1 N1 N3 C2 0.6(3) .
C3 N1 N3 C2 176.6(2) .
C8 N4 N6 C9 -0.1(3) .
C10 N4 N6 C9 -179.1(3) .
C15 N8 N9 C16 0.3(3) .
C19 N8 N9 C16 177.1(2) .
N3 N1 C1 N2 -1.0(3) .
C3 N1 C1 N2 -176.8(2) .
N3 N1 C1 Ni1 175.54(18) .
C3 N1 C1 Ni1 -0.2(4) .
C2 N2 C1 N1 1.1(3) .
C6 N2 C1 N1 179.7(2) .
C2 N2 C1 Ni1 -175.4(2) .
C6 N2 C1 Ni1 3.2(4) .
C1 Ni1 C1 N1 75(100) 2
Br1 Ni1 C1 N1 -104.8(2) .
Br1 Ni1 C1 N1 75.2(2) 2
C1 Ni1 C1 N2 -110(100) 2
Br1 Ni1 C1 N2 70.8(2) .
Br1 Ni1 C1 N2 -109.2(2) 2
N1 N3 C2 N2 0.2(3) .
C1 N2 C2 N3 -0.8(3) .
C6 N2 C2 N3 -179.4(3) .
C1 N1 C3 C5 -131.3(3) .
N3 N1 C3 C5 53.1(3) .
C1 N1 C3 C4 103.5(3) .
N3 N1 C3 C4 -72.1(3) .
C1 N2 C6 C7 69.3(3) .
C2 N2 C6 C7 -112.3(3) .
N6 N4 C8 N5 -0.1(3) .
C10 N4 C8 N5 178.9(3) .
N6 N4 C8 Ni2 -176.37(18) .
C10 N4 C8 Ni2 2.6(4) .
C9 N5 C8 N4 0.3(3) .
C13 N5 C8 N4 -178.1(3) .
C9 N5 C8 Ni2 176.1(2) .
C13 N5 C8 Ni2 -2.3(5) .
C15 Ni2 C8 N4 12.3(10) .
Br3 Ni2 C8 N4 94.4(2) .
Br2 Ni2 C8 N4 -89.7(2) .
C15 Ni2 C8 N5 -162.7(8) .
Br3 Ni2 C8 N5 -80.6(3) .
Br2 Ni2 C8 N5 95.2(3) .
N4 N6 C9 N5 0.3(3) .
C8 N5 C9 N6 -0.3(4) .
C13 N5 C9 N6 178.0(3) .
C8 N4 C10 C12 -116.6(3) .
N6 N4 C10 C12 62.3(4) .
C8 N4 C10 C11 117.5(3) .
N6 N4 C10 C11 -63.6(4) .
C8 N5 C13 C14 -128.4(4) .
C9 N5 C13 C14 53.5(6) .
N9 N8 C15 N7 0.0(3) .
C19 N8 C15 N7 -176.5(2) .
N9 N8 C15 Ni2 -179.16(18) .
C19 N8 C15 Ni2 4.3(4) .
C16 N7 C15 N8 -0.3(3) .
C17 N7 C15 N8 178.8(2) .
C16 N7 C15 Ni2 178.89(18) .
C17 N7 C15 Ni2 -2.0(4) .
C8 Ni2 C15 N8 161.5(8) .
Br3 Ni2 C15 N8 79.5(2) .
Br2 Ni2 C15 N8 -96.4(2) .
C8 Ni2 C15 N7 -17.4(10) .
Br3 Ni2 C15 N7 -99.4(2) .
Br2 Ni2 C15 N7 84.6(2) .
N8 N9 C16 N7 -0.5(3) .
C15 N7 C16 N9 0.5(3) .
C17 N7 C16 N9 -178.6(2) .
C15 N7 C17 C18 82.0(3) .
C16 N7 C17 C18 -99.0(3) .
C15 N8 C19 C21 -126.1(3) .
N9 N8 C19 C21 57.6(3) .
C15 N8 C19 C20 109.3(3) .
N9 N8 C19 C20 -67.0(3) .
