#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:59:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180283 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/69/7116901.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_7116901
loop_
_publ_author_name
'Blake R. Reed'
'Sebastian A. Stoian'
'Richard L. Lord'
'Stanislav Groysman'
_publ_section_title
;
 The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I)
 complexes of a bis(aldimino)pyridine ligand
;
_journal_name_full               Chem.Commun.
_journal_page_first              6496
_journal_paper_doi               10.1039/C5cc00203F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C32 H39 Br2 Cl2 N3 Ni'
_chemical_formula_weight         755.09
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-19 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 108.906(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7870(6)
_cell_length_b                   26.3927(17)
_cell_length_c                   13.7739(8)
_cell_measurement_temperature    100(2)
_cell_volume                     3365.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0265
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            118495
_diffrn_reflns_theta_full        28.52
_diffrn_reflns_theta_max         28.52
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    3.135
_exptl_absorpt_correction_T_max  0.7446
_exptl_absorpt_correction_T_min  0.5079
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.343
_refine_diff_density_min         -0.833
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         8496
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0273P)²+4.3230P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0653
_refine_ls_wR_factor_ref         0.0700
_reflns_number_gt                7018
_reflns_number_total             8496
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc00203f2.cif
_cod_data_source_block           sg33
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7116901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Br1 Br 0.69510(2) 0.237725(8) 0.905114(16) 0.01922(6) Uani 1 1 d . . .
Br2 Br 0.89772(2) 0.122083(8) 0.81979(2) 0.02459(6) Uani 1 1 d . . .
Ni1 Ni 0.67477(3) 0.158845(9) 0.81043(2) 0.01193(6) Uani 1 1 d . . .
Cl1 Cl 0.2767(3) 0.05604(10) 0.62804(18) 0.0503(5) Uani 0.596(3) 1 d P A 1
Cl2 Cl 0.06936(17) 0.05637(6) 0.42974(10) 0.0554(6) Uani 0.596(3) 1 d P A 1
N1 N 0.46235(18) 0.16352(6) 0.76688(13) 0.0135(3) Uani 1 1 d . . .
N2 N 0.62047(18) 0.19260(6) 0.66090(13) 0.0146(3) Uani 1 1 d . . .
C1 C 0.3941(2) 0.19201(8) 0.68554(16) 0.0177(4) Uani 1 1 d . . .
C6 C 0.4883(2) 0.20542(8) 0.62488(17) 0.0188(4) Uani 1 1 d . . .
H6 H 0.4518 0.2229 0.5614 0.023 Uiso 1 1 calc R . .
C7 C 0.7095(2) 0.19688(8) 0.59609(16) 0.0167(4) Uani 1 1 d . . .
C12 C 0.7885(2) 0.24088(8) 0.59549(17) 0.0191(4) Uani 1 1 d . . .
C11 C 0.8718(2) 0.24164(9) 0.53032(18) 0.0228(5) Uani 1 1 d . . .
H11 H 0.9261 0.2712 0.5276 0.027 Uiso 1 1 calc R . .
C10 C 0.8774(3) 0.20082(10) 0.46998(18) 0.0258(5) Uani 1 1 d . . .
H10 H 0.9334 0.2025 0.4252 0.031 Uiso 1 1 calc R . .
C9 C 0.8016(3) 0.15731(9) 0.47447(18) 0.0284(5) Uani 1 1 d . . .
H9 H 0.8071 0.1290 0.4332 0.034 Uiso 1 1 calc R . .
C8 C 0.7171(3) 0.15405(9) 0.53828(17) 0.0230(5) Uani 1 1 d . . .
C16 C 0.6328(4) 0.10624(10) 0.5420(2) 0.0375(7) Uani 1 1 d . . .
H16 H 0.6115 0.1067 0.6083 0.045 Uiso 1 1 calc R . .
C17 C 0.7191(5) 0.05846(11) 0.5413(3) 0.0695(13) Uani 1 1 d . . .
H17A H 0.7389 0.0562 0.4761 0.104 Uiso 1 1 calc R . .
H17B H 0.6635 0.0288 0.5491 0.104 Uiso 1 1 calc R . .
H17C H 0.8105 0.0597 0.5981 0.104 Uiso 1 1 calc R . .
C18 C 0.4881(4) 0.10566(14) 0.4556(2) 0.0641(12) Uani 1 1 d . . .
H18A H 0.4354 0.1370 0.4575 0.096 Uiso 1 1 calc R . .
H18B H 0.4310 0.0765 0.4643 0.096 Uiso 1 1 calc R . .
H18C H 0.5049 0.1030 0.3894 0.096 Uiso 1 1 calc R . .
C13 C 0.7939(3) 0.28455(9) 0.6677(2) 0.0294(6) Uani 1 1 d . . .
H13 H 0.7088 0.2815 0.6924 0.035 Uiso 1 1 calc R . .
C15 C 0.7842(4) 0.33594(10) 0.6139(3) 0.0536(10) Uani 1 1 d . . .
H15A H 0.8683 0.3403 0.5908 0.080 Uiso 1 1 calc R . .
H15B H 0.7825 0.3631 0.6619 0.080 Uiso 1 1 calc R . .
H15C H 0.6957 0.3372 0.5546 0.080 Uiso 1 1 calc R . .
C14 C 0.9312(3) 0.28042(11) 0.7612(2) 0.0406(7) Uani 1 1 d . . .
H14A H 0.9328 0.2475 0.7946 0.061 Uiso 1 1 calc R . .
H14B H 0.9321 0.3076 0.8099 0.061 Uiso 1 1 calc R . .
H14C H 1.0163 0.2835 0.7390 0.061 Uiso 1 1 calc R . .
C2 C 0.2481(2) 0.20275(9) 0.66131(18) 0.0245(5) Uani 1 1 d . . .
H2 H 0.1997 0.2231 0.6035 0.029 Uiso 1 1 calc R . .
C3 C 0.1743(2) 0.18302(9) 0.72363(19) 0.0256(5) Uani 1 1 d . . .
H3 H 0.0742 0.1897 0.7085 0.031 Uiso 1 1 calc R . .
C4 C 0.2471(2) 0.15341(9) 0.80818(18) 0.0204(4) Uani 1 1 d . . .
H4 H 0.1981 0.1398 0.8516 0.024 Uiso 1 1 calc R . .
C5 C 0.3927(2) 0.14440(8) 0.82727(16) 0.0153(4) Uani 1 1 d . . .
C19 C 0.4855(2) 0.11111(8) 0.90730(15) 0.0149(4) Uani 1 1 d . . .
H19 H 0.4471 0.0919 0.9507 0.018 Uiso 1 1 calc R . .
N3 N 0.61897(18) 0.10889(6) 0.91649(13) 0.0137(3) Uani 1 1 d . . .
C20 C 0.7075(2) 0.07108(8) 0.98293(16) 0.0142(4) Uani 1 1 d . . .
C25 C 0.7084(2) 0.02246(8) 0.94282(17) 0.0176(4) Uani 1 1 d . . .
C24 C 0.7951(3) -0.01384(8) 1.00786(19) 0.0238(5) Uani 1 1 d . . .
H24 H 0.7975 -0.0473 0.9833 0.029 Uiso 1 1 calc R . .
C23 C 0.8774(3) -0.00200(9) 1.10707(19) 0.0264(5) Uani 1 1 d . . .
H23 H 0.9341 -0.0274 1.1507 0.032 Uiso 1 1 calc R . .
C22 C 0.8774(2) 0.04667(9) 1.14297(18) 0.0237(5) Uani 1 1 d . . .
H22 H 0.9360 0.0546 1.2110 0.028 Uiso 1 1 calc R . .
C21 C 0.7933(2) 0.08462(8) 1.08150(17) 0.0180(4) Uani 1 1 d . . .
C27 C 0.7976(3) 0.13828(8) 1.12155(17) 0.0226(5) Uani 1 1 d . . .
H27 H 0.7318 0.1595 1.0656 0.027 Uiso 1 1 calc R . .
C28 C 0.9448(4) 0.16001(13) 1.1487(4) 0.0701(13) Uani 1 1 d . . .
H28A H 1.0102 0.1411 1.2064 0.105 Uiso 1 1 calc R . .
H28B H 0.9425 0.1956 1.1681 0.105 Uiso 1 1 calc R . .
H28C H 0.9792 0.1577 1.0894 0.105 Uiso 1 1 calc R . .
C29 C 0.7446(4) 0.14081(12) 1.2129(3) 0.0532(9) Uani 1 1 d . . .
H29A H 0.8047 0.1190 1.2677 0.080 Uiso 1 1 calc R . .
H29B H 0.6441 0.1293 1.1927 0.080 Uiso 1 1 calc R . .
H29C H 0.7507 0.1758 1.2377 0.080 Uiso 1 1 calc R . .
C26 C 0.6208(3) 0.00860(8) 0.83356(17) 0.0214(5) Uani 1 1 d . . .
H26 H 0.5787 0.0406 0.7970 0.026 Uiso 1 1 calc R . .
C30 C 0.4961(3) -0.02622(10) 0.8321(2) 0.0285(5) Uani 1 1 d . . .
H30A H 0.5344 -0.0583 0.8659 0.043 Uiso 1 1 calc R . .
H30B H 0.4367 -0.0328 0.7609 0.043 Uiso 1 1 calc R . .
H30C H 0.4370 -0.0100 0.8686 0.043 Uiso 1 1 calc R . .
C31 C 0.7148(3) -0.01521(9) 0.7762(2) 0.0296(5) Uani 1 1 d . . .
H31A H 0.7932 0.0081 0.7772 0.044 Uiso 1 1 calc R . .
H31B H 0.6558 -0.0219 0.7050 0.044 Uiso 1 1 calc R . .
H31C H 0.7558 -0.0471 0.8096 0.044 Uiso 1 1 calc R . .
C32 C 0.1180(6) 0.0795(2) 0.5462(4) 0.113(2) Uani 1 1 d . . .
Cl3 Cl 0.1305(3) 0.10058(13) 0.4389(2) 0.0746(11) Uani 0.404(3) 1 d P A 2
Cl4 Cl 0.2243(7) 0.04236(17) 0.6497(3) 0.0977(19) Uani 0.404(3) 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
N1 Ni1 N2 76.90(7) . .
N1 Ni1 N3 76.81(7) . .
N2 Ni1 N3 149.53(7) . .
N1 Ni1 Br2 155.50(5) . .
N2 Ni1 Br2 99.24(5) . .
N3 Ni1 Br2 98.29(5) . .
N1 Ni1 Br1 90.26(5) . .
N2 Ni1 Br1 96.38(5) . .
N3 Ni1 Br1 98.87(5) . .
Br2 Ni1 Br1 114.240(13) . .
C5 N1 C1 121.24(18) . .
C5 N1 Ni1 119.21(14) . .
C1 N1 Ni1 118.84(14) . .
C6 N2 C7 118.72(18) . .
C6 N2 Ni1 112.88(14) . .
C7 N2 Ni1 128.03(13) . .
N1 C1 C2 120.91(19) . .
N1 C1 C6 112.07(18) . .
C2 C1 C6 126.8(2) . .
N2 C6 C1 117.33(19) . .
N2 C6 H6 121.3 . .
C1 C6 H6 121.3 . .
C12 C7 C8 122.46(19) . .
C12 C7 N2 121.10(19) . .
C8 C7 N2 116.38(19) . .
C11 C12 C7 117.1(2) . .
C11 C12 C13 120.6(2) . .
C7 C12 C13 122.08(19) . .
C10 C11 C12 121.6(2) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C11 C10 C9 119.9(2) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C9 C8 121.2(2) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C9 C8 C7 117.5(2) . .
C9 C8 C16 120.9(2) . .
C7 C8 C16 121.5(2) . .
C8 C16 C17 112.3(3) . .
C8 C16 C18 111.0(2) . .
C17 C16 C18 111.3(3) . .
C8 C16 H16 107.3 . .
C17 C16 H16 107.3 . .
C18 C16 H16 107.3 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C12 C13 C15 111.9(2) . .
C12 C13 C14 109.4(2) . .
C15 C13 C14 111.6(2) . .
C12 C13 H13 107.9 . .
C15 C13 H13 107.9 . .
C14 C13 H13 107.9 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
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 . .
C1 C2 C3 118.4(2) . .
C1 C2 H2 120.8 . .
C3 C2 H2 120.8 . .
C2 C3 C4 120.0(2) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 118.2(2) . .
C5 C4 H4 120.9 . .
C3 C4 H4 120.9 . .
N1 C5 C4 121.29(19) . .
N1 C5 C19 112.16(17) . .
C4 C5 C19 126.39(19) . .
N3 C19 C5 117.84(18) . .
N3 C19 H19 121.1 . .
C5 C19 H19 121.1 . .
C19 N3 C20 118.84(17) . .
C19 N3 Ni1 112.34(14) . .
C20 N3 Ni1 128.32(13) . .
C21 C20 C25 122.81(19) . .
C21 C20 N3 119.39(18) . .
C25 C20 N3 117.71(18) . .
C24 C25 C20 117.2(2) . .
C24 C25 C26 120.2(2) . .
C20 C25 C26 122.65(19) . .
C23 C24 C25 121.3(2) . .
C23 C24 H24 119.4 . .
C25 C24 H24 119.4 . .
C22 C23 C24 120.0(2) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C23 C22 C21 121.4(2) . .
C23 C22 H22 119.3 . .
C21 C22 H22 119.3 . .
C20 C21 C22 117.3(2) . .
C20 C21 C27 122.14(19) . .
C22 C21 C27 120.6(2) . .
C28 C27 C29 110.0(3) . .
C28 C27 C21 111.3(2) . .
C29 C27 C21 111.6(2) . .
C28 C27 H27 107.9 . .
C29 C27 H27 107.9 . .
C21 C27 H27 107.9 . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C25 C26 C30 110.59(19) . .
C25 C26 C31 111.8(2) . .
C30 C26 C31 111.05(19) . .
C25 C26 H26 107.8 . .
C30 C26 H26 107.8 . .
C31 C26 H26 107.8 . .
C26 C30 H30A 109.5 . .
C26 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C26 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C26 C31 H31A 109.5 . .
C26 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C26 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Cl3 C32 Cl2 47.00(18) . .
Cl3 C32 Cl1 113.8(4) . .
Cl2 C32 Cl1 115.1(3) . .
Cl3 C32 Cl4 136.8(4) . .
Cl2 C32 Cl4 119.5(3) . .
Cl1 C32 Cl4 25.3(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 Ni1 2.4303(3) .
Br2 Ni1 2.3530(3) .
Ni1 N1 1.9720(17) .
Ni1 N2 2.1468(17) .
Ni1 N3 2.1651(17) .
Cl1 C32 1.712(5) .
Cl2 C32 1.636(5) .
N1 C5 1.333(3) .
N1 C1 1.335(3) .
N2 C6 1.272(3) .
N2 C7 1.440(3) .
C1 C2 1.387(3) .
C1 C6 1.474(3) .
C6 H6 0.9500 .
C7 C12 1.397(3) .
C7 C8 1.399(3) .
C12 C11 1.395(3) .
C12 C13 1.512(3) .
C11 C10 1.373(3) .
C11 H11 0.9500 .
C10 C9 1.380(4) .
C10 H10 0.9500 .
C9 C8 1.391(3) .
C9 H9 0.9500 .
C8 C16 1.518(3) .
C16 C17 1.520(4) .
C16 C18 1.527(5) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C13 C15 1.534(4) .
C13 C14 1.535(4) .
C13 H13 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C2 C3 1.390(3) .
C2 H2 0.9500 .
C3 C4 1.392(3) .
C3 H3 0.9500 .
C4 C5 1.384(3) .
C4 H4 0.9500 .
C5 C19 1.471(3) .
C19 N3 1.272(3) .
C19 H19 0.9500 .
N3 C20 1.439(3) .
C20 C21 1.392(3) .
C20 C25 1.398(3) .
C25 C24 1.395(3) .
C25 C26 1.516(3) .
C24 C23 1.379(3) .
C24 H24 0.9500 .
C23 C22 1.377(3) .
C23 H23 0.9500 .
C22 C21 1.395(3) .
C22 H22 0.9500 .
C21 C27 1.516(3) .
C27 C28 1.482(4) .
C27 C29 1.510(4) .
C27 H27 1.0000 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C26 C30 1.523(3) .
C26 C31 1.529(3) .
C26 H26 1.0000 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 Cl3 1.620(6) .
C32 Cl4 1.765(6) .
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
N2 Ni1 N1 C5 176.35(17) . . . .
N3 Ni1 N1 C5 11.89(15) . . . .
Br2 Ni1 N1 C5 92.84(19) . . . .
Br1 Ni1 N1 C5 -87.16(15) . . . .
N2 Ni1 N1 C1 -13.22(15) . . . .
N3 Ni1 N1 C1 -177.68(17) . . . .
Br2 Ni1 N1 C1 -96.73(18) . . . .
Br1 Ni1 N1 C1 83.27(16) . . . .
N1 Ni1 N2 C6 9.21(15) . . . .
N3 Ni1 N2 C6 40.2(2) . . . .
Br2 Ni1 N2 C6 164.53(14) . . . .
Br1 Ni1 N2 C6 -79.57(15) . . . .
N1 Ni1 N2 C7 -163.66(18) . . . .
N3 Ni1 N2 C7 -132.69(17) . . . .
Br2 Ni1 N2 C7 -8.33(17) . . . .
Br1 Ni1 N2 C7 107.56(16) . . . .
C5 N1 C1 C2 0.1(3) . . . .
Ni1 N1 C1 C2 -170.09(18) . . . .
C5 N1 C1 C6 -175.10(19) . . . .
Ni1 N1 C1 C6 14.7(2) . . . .
C7 N2 C6 C1 169.11(19) . . . .
Ni1 N2 C6 C1 -4.5(2) . . . .
N1 C1 C6 N2 -5.9(3) . . . .
C2 C1 C6 N2 179.2(2) . . . .
C6 N2 C7 C12 91.8(3) . . . .
Ni1 N2 C7 C12 -95.7(2) . . . .
C6 N2 C7 C8 -91.1(3) . . . .
Ni1 N2 C7 C8 81.4(2) . . . .
C8 C7 C12 C11 3.0(3) . . . .
N2 C7 C12 C11 179.97(19) . . . .
C8 C7 C12 C13 -172.4(2) . . . .
N2 C7 C12 C13 4.6(3) . . . .
C7 C12 C11 C10 -0.6(3) . . . .
C13 C12 C11 C10 174.8(2) . . . .
C12 C11 C10 C9 -1.3(4) . . . .
C11 C10 C9 C8 0.9(4) . . . .
C10 C9 C8 C7 1.3(4) . . . .
C10 C9 C8 C16 179.4(2) . . . .
C12 C7 C8 C9 -3.4(3) . . . .
N2 C7 C8 C9 179.6(2) . . . .
C12 C7 C8 C16 178.6(2) . . . .
N2 C7 C8 C16 1.5(3) . . . .
C9 C8 C16 C17 41.5(4) . . . .
C7 C8 C16 C17 -140.5(3) . . . .
C9 C8 C16 C18 -83.9(3) . . . .
C7 C8 C16 C18 94.1(3) . . . .
C11 C12 C13 C15 45.9(3) . . . .
C7 C12 C13 C15 -138.9(2) . . . .
C11 C12 C13 C14 -78.4(3) . . . .
C7 C12 C13 C14 96.9(3) . . . .
N1 C1 C2 C3 -0.2(4) . . . .
C6 C1 C2 C3 174.3(2) . . . .
C1 C2 C3 C4 0.2(4) . . . .
C2 C3 C4 C5 -0.2(4) . . . .
C1 N1 C5 C4 -0.1(3) . . . .
Ni1 N1 C5 C4 170.05(17) . . . .
C1 N1 C5 C19 175.60(19) . . . .
Ni1 N1 C5 C19 -14.2(2) . . . .
C3 C4 C5 N1 0.2(3) . . . .
C3 C4 C5 C19 -174.9(2) . . . .
N1 C5 C19 N3 7.3(3) . . . .
C4 C5 C19 N3 -177.2(2) . . . .
C5 C19 N3 C20 -170.57(18) . . . .
C5 C19 N3 Ni1 2.0(2) . . . .
N1 Ni1 N3 C19 -7.10(14) . . . .
N2 Ni1 N3 C19 -38.1(2) . . . .
Br2 Ni1 N3 C19 -162.65(14) . . . .
Br1 Ni1 N3 C19 81.08(14) . . . .
N1 Ni1 N3 C20 164.60(18) . . . .
N2 Ni1 N3 C20 133.62(17) . . . .
Br2 Ni1 N3 C20 9.05(17) . . . .
Br1 Ni1 N3 C20 -107.22(16) . . . .
C19 N3 C20 C21 -99.3(2) . . . .
Ni1 N3 C20 C21 89.4(2) . . . .
C19 N3 C20 C25 83.9(2) . . . .
Ni1 N3 C20 C25 -87.4(2) . . . .
C21 C20 C25 C24 3.1(3) . . . .
N3 C20 C25 C24 179.75(19) . . . .
C21 C20 C25 C26 -176.7(2) . . . .
N3 C20 C25 C26 0.0(3) . . . .
C20 C25 C24 C23 -0.7(3) . . . .
C26 C25 C24 C23 179.1(2) . . . .
C25 C24 C23 C22 -1.4(4) . . . .
C24 C23 C22 C21 1.2(4) . . . .
C25 C20 C21 C22 -3.2(3) . . . .
N3 C20 C21 C22 -179.85(19) . . . .
C25 C20 C21 C27 176.3(2) . . . .
N3 C20 C21 C27 -0.4(3) . . . .
C23 C22 C21 C20 1.0(3) . . . .
C23 C22 C21 C27 -178.5(2) . . . .
C20 C21 C27 C28 -118.9(3) . . . .
C22 C21 C27 C28 60.5(3) . . . .
C20 C21 C27 C29 117.8(3) . . . .
C22 C21 C27 C29 -62.8(3) . . . .
C24 C25 C26 C30 70.9(3) . . . .
C20 C25 C26 C30 -109.4(2) . . . .
C24 C25 C26 C31 -53.4(3) . . . .
C20 C25 C26 C31 126.4(2) . . . .
