#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/63/7116321.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_7116321
loop_
_publ_author_name
'Xiao-Meng Zhang'
'Chao-Wei Zhao'
'Jian-Ping Ma'
'Yang Yu'
'Qi-Kui Liu'
'Yu-Bin Dong'
_publ_section_title
;
 A Ni(II)-MOF: reversible guest adsorption and heterogeneous catalytic
 properties for silylcyanation of aromatic aldehydes
;
_journal_name_full               Chem.Commun.
_journal_page_first              839
_journal_paper_doi               10.1039/C4cc08003C
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C40 H41 Cl2 N12 Ni O2.5'
_chemical_formula_weight         859.46
_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                 130.835(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.979(12)
_cell_length_b                   21.364(14)
_cell_length_c                   13.657(9)
_cell_measurement_reflns_used    3363
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.468
_cell_measurement_theta_min      2.959
_cell_volume                     3969(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0557
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10290
_diffrn_reflns_theta_full        25.60
_diffrn_reflns_theta_max         25.60
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.678
_exptl_absorpt_correction_T_max  0.9541
_exptl_absorpt_correction_T_min  0.8934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.403
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3732
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0612
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0567P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0984
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                2853
_reflns_number_total             3732
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc08003c2.cif
_cod_data_source_block           131108bm
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C40 H41 Cl2 N12 Ni O2.50'
_cod_database_code               7116321
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
C1 C 0.4409(2) 0.14187(13) -0.0091(3) 0.0290(7) Uani 1 1 d . . .
H1 H 0.4600 0.1539 -0.0568 0.035 Uiso 1 1 calc R . .
C2 C 0.4134(2) 0.08531(12) 0.0905(3) 0.0233(6) Uani 1 1 d . . .
H2 H 0.4077 0.0511 0.1297 0.028 Uiso 1 1 calc R . .
C3 C 0.3436(2) 0.16972(13) 0.1382(3) 0.0249(6) Uani 1 1 d . . .
C4 C 0.3718(2) 0.22930(13) 0.1938(3) 0.0255(6) Uani 1 1 d . . .
H4 H 0.4173 0.2536 0.1963 0.031 Uiso 1 1 calc R . .
C5 C 0.3312(2) 0.25189(13) 0.2452(3) 0.0246(6) Uani 1 1 d . . .
C6 C 0.2597(2) 0.21664(13) 0.2345(3) 0.0240(6) Uani 1 1 d . . .
C7 C 0.2316(2) 0.15790(13) 0.1768(3) 0.0284(7) Uani 1 1 d . . .
H7 H 0.1839 0.1342 0.1705 0.034 Uiso 1 1 calc R . .
C8 C 0.2743(2) 0.13409(13) 0.1282(3) 0.0284(7) Uani 1 1 d . . .
H8 H 0.2561 0.0939 0.0888 0.034 Uiso 1 1 calc R . .
C9 C 0.3549(2) 0.31245(13) 0.3201(3) 0.0262(6) Uani 1 1 d . . .
C10 C 0.4613(2) 0.31140(16) 0.4501(3) 0.0380(8) Uani 1 1 d . . .
H10A H 0.4729 0.3484 0.5010 0.057 Uiso 1 1 calc R . .
H10B H 0.5071 0.3117 0.4340 0.057 Uiso 1 1 calc R . .
H10C H 0.4718 0.2735 0.4981 0.057 Uiso 1 1 calc R . .
C11 C 0.3395(2) 0.37181(14) 0.2432(3) 0.0331(7) Uani 1 1 d . . .
H11A H 0.2711 0.3734 0.1618 0.050 Uiso 1 1 calc R . .
H11B H 0.3836 0.3703 0.2245 0.050 Uiso 1 1 calc R . .
H11C H 0.3540 0.4092 0.2948 0.050 Uiso 1 1 calc R . .
C12 C 0.28257(19) 0.30918(13) 0.3430(3) 0.0231(6) Uani 1 1 d . . .
C13 C 0.2680(2) 0.35264(13) 0.4044(3) 0.0255(6) Uani 1 1 d . . .
H13 H 0.3053 0.3902 0.4392 0.031 Uiso 1 1 calc R . .
C14 C 0.1966(2) 0.33932(13) 0.4134(3) 0.0255(6) Uani 1 1 d . . .
C15 C 0.1415(2) 0.28455(13) 0.3639(3) 0.0267(6) Uani 1 1 d . . .
H15 H 0.0937 0.2770 0.3721 0.032 Uiso 1 1 calc R . .
C16 C 0.1561(2) 0.24083(13) 0.3026(3) 0.0262(6) Uani 1 1 d . . .
H16 H 0.1186 0.2033 0.2682 0.031 Uiso 1 1 calc R . .
C17 C 0.2275(2) 0.25338(12) 0.2925(3) 0.0234(6) Uani 1 1 d . . .
C18 C 0.2068(2) 0.45421(14) 0.6029(3) 0.0298(7) Uani 1 1 d . . .
H18 H 0.2395 0.4829 0.6730 0.036 Uiso 1 1 calc R . .
C19 C 0.0930(2) 0.40430(13) 0.4366(3) 0.0234(6) Uani 1 1 d . . .
H19 H 0.0305 0.3892 0.3628 0.028 Uiso 1 1 calc R . .
Cl1 Cl 0.38289(5) 0.02021(3) -0.23305(7) 0.02844(19) Uani 1 1 d . . .
N1 N 0.44829(16) 0.08164(10) 0.0292(2) 0.0229(5) Uani 1 1 d . . .
N2 N 0.40557(18) 0.18231(11) 0.0241(2) 0.0295(6) Uani 1 1 d . . .
N3 N 0.38765(16) 0.14468(10) 0.0882(2) 0.0233(5) Uani 1 1 d . . .
N4 N 0.17922(17) 0.38415(10) 0.4749(2) 0.0238(5) Uani 1 1 d . . .
N5 N 0.25449(18) 0.41732(11) 0.5828(2) 0.0316(6) Uani 1 1 d . . .
N6 N 0.10726(17) 0.44818(10) 0.5157(2) 0.0233(5) Uani 1 1 d . . .
Ni1 Ni 0.5000 0.0000 0.0000 0.02003(15) Uani 1 2 d S . .
C20 C 0.0800(5) 1.0128(3) 0.9367(7) 0.127(3) Uani 0.50 1 d PD A 1
H20A H 0.0648 1.0552 0.9464 0.190 Uiso 0.50 1 calc PR A 1
H20B H 0.0725 1.0108 0.8590 0.190 Uiso 0.50 1 calc PR A 1
H20C H 0.1478 1.0022 1.0128 0.190 Uiso 0.50 1 calc PR A 1
O1 O 0.0153(9) 0.9700(5) 0.9252(13) 0.150(4) Uani 0.50 1 d PD A 1
H1A H -0.0075 0.9457 0.8628 0.225 Uiso 0.50 1 calc PR A 1
C20W C 0.0800(5) 1.0128(3) 0.9367(7) 0.127(3) Uani 0.50 1 d PD B 2
H20D H 0.0657 1.0573 0.9174 0.190 Uiso 0.50 1 d PR B 2
H20E H 0.0169 0.9895 0.8864 0.190 Uiso 0.50 1 d PR B 2
H20F H 0.1165 0.9978 0.9111 0.190 Uiso 0.50 1 d PR B 2
O1W O 0.1356(5) 1.0023(3) 1.0706(6) 0.0766(18) Uani 0.50 1 d PD B 2
H1W H 0.1014 1.0113 1.0904 0.115 Uiso 0.50 1 calc PR B 2
O2 O 0.9658(9) 0.9012(7) 0.7346(19) 0.115(6) Uani 0.25 1 d P . .
H2A H 1.0000 0.8688 0.7500 0.172 Uiso 0.50 2 d SPR . .
H2B H 0.9661 0.9337 0.6983 0.172 Uiso 0.25 1 d PR . .
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'
Cl Cl 0.1484 0.1585 '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
N2 C1 N1 115.8(3) . .
N2 C1 H1 122.1 . .
N1 C1 H1 122.1 . .
N1 C2 N3 109.6(2) . .
N1 C2 H2 125.2 . .
N3 C2 H2 125.2 . .
C8 C3 C4 122.5(3) . .
C8 C3 N3 119.0(2) . .
C4 C3 N3 118.5(2) . .
C5 C4 C3 117.8(3) . .
C5 C4 H4 121.1 . .
C3 C4 H4 121.1 . .
C4 C5 C6 120.4(3) . .
C4 C5 C9 128.6(3) . .
C6 C5 C9 111.0(2) . .
C7 C6 C5 120.7(3) . .
C7 C6 C17 131.2(3) . .
C5 C6 C17 108.1(2) . .
C6 C7 C8 119.2(3) . .
C6 C7 H7 120.4 . .
C8 C7 H7 120.4 . .
C3 C8 C7 119.3(3) . .
C3 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C12 C9 C5 101.3(2) . .
C12 C9 C10 110.2(2) . .
C5 C9 C10 110.6(2) . .
C12 C9 C11 112.2(2) . .
C5 C9 C11 113.1(2) . .
C10 C9 C11 109.3(2) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C17 120.8(2) . .
C13 C12 C9 128.1(3) . .
C17 C12 C9 111.1(2) . .
C12 C13 C14 117.7(3) . .
C12 C13 H13 121.1 . .
C14 C13 H13 121.1 . .
C15 C14 C13 122.2(3) . .
C15 C14 N4 119.2(2) . .
C13 C14 N4 118.6(2) . .
C14 C15 C16 120.2(3) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C15 C16 C17 118.5(3) . .
C15 C16 H16 120.8 . .
C17 C16 H16 120.8 . .
C16 C17 C12 120.6(2) . .
C16 C17 C6 131.0(3) . .
C12 C17 C6 108.4(2) . .
N5 C18 N6 115.1(3) . .
N5 C18 H18 122.5 . .
N6 C18 H18 122.5 . .
N6 C19 N4 110.6(3) . .
N6 C19 H19 124.7 . .
N4 C19 H19 124.7 . .
C2 N1 C1 102.5(2) . .
C2 N1 Ni1 127.26(18) . .
C1 N1 Ni1 130.20(18) . .
C1 N2 N3 101.7(2) . .
C2 N3 N2 110.3(2) . .
C2 N3 C3 128.7(2) . .
N2 N3 C3 121.0(2) . .
C19 N4 N5 109.2(2) . .
C19 N4 C14 128.5(2) . .
N5 N4 C14 122.1(2) . .
C18 N5 N4 102.2(2) . .
C19 N6 C18 102.9(2) . .
C19 N6 Ni1 127.8(2) . 4
C18 N6 Ni1 129.15(19) . 4
N6 Ni1 N6 180.00(14) 4_545 8
N6 Ni1 N1 88.11(9) 4_545 .
N6 Ni1 N1 91.89(9) 8 .
N6 Ni1 N1 91.89(9) 4_545 5_655
N6 Ni1 N1 88.11(9) 8 5_655
N1 Ni1 N1 180.00(12) . 5_655
N6 Ni1 Cl1 89.52(7) 4_545 5_655
N6 Ni1 Cl1 90.48(7) 8 5_655
N1 Ni1 Cl1 90.61(7) . 5_655
N1 Ni1 Cl1 89.39(7) 5_655 5_655
N6 Ni1 Cl1 90.48(7) 4_545 .
N6 Ni1 Cl1 89.52(7) 8 .
N1 Ni1 Cl1 89.39(7) . .
N1 Ni1 Cl1 90.61(7) 5_655 .
Cl1 Ni1 Cl1 180.00(3) 5_655 .
O1 C20 H20D 123.5 . .
H20A C20 H20D 24.2 . .
H20B C20 H20D 85.6 . .
H20C C20 H20D 115.9 . .
O1 C20 H20E 27.1 . .
H20A C20 H20E 105.2 . .
H20B C20 H20E 86.8 . .
H20C C20 H20E 133.2 . .
H20D C20 H20E 108.7 . .
O1 C20 H20F 116.5 . .
H20A C20 H20F 131.5 . .
H20B C20 H20F 41.1 . .
H20C C20 H20F 69.1 . .
H20D C20 H20F 110.0 . .
H20E C20 H20F 108.6 . .
C20 O1 H20E 40.9 . .
H1A O1 H20E 80.3 . .
O2 O2 H2A 54.0 2_756 .
O2 O2 H2B 76.9 2_756 .
H2A O2 H2B 121.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.316(3) .
C1 N1 1.363(4) .
C1 H1 0.9500 .
C2 N1 1.336(3) .
C2 N3 1.344(3) .
C2 H2 0.9500 .
C3 C8 1.389(4) .
C3 C4 1.396(4) .
C3 N3 1.445(3) .
C4 C5 1.390(4) .
C4 H4 0.9500 .
C5 C6 1.411(4) .
C5 C9 1.527(4) .
C6 C7 1.389(4) .
C6 C17 1.477(4) .
C7 C8 1.397(4) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C12 1.525(4) .
C9 C10 1.540(4) .
C9 C11 1.551(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.387(4) .
C12 C17 1.409(4) .
C13 C14 1.396(4) .
C13 H13 0.9500 .
C14 C15 1.390(4) .
C14 N4 1.436(3) .
C15 C16 1.390(4) .
C15 H15 0.9500 .
C16 C17 1.403(4) .
C16 H16 0.9500 .
C18 N5 1.319(4) .
C18 N6 1.360(4) .
C18 H18 0.9500 .
C19 N6 1.323(3) .
C19 N4 1.341(4) .
C19 H19 0.9500 .
Cl1 Ni1 2.4465(17) .
N1 Ni1 2.133(2) .
N2 N3 1.372(3) .
N4 N5 1.377(3) .
N6 Ni1 2.109(2) 4
Ni1 N6 2.109(2) 4_545
Ni1 N6 2.109(2) 8
Ni1 N1 2.133(2) 5_655
Ni1 Cl1 2.4465(17) 5_655
C20 O1 1.407(8) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C20 H20D 0.9755 .
C20 H20E 0.9935 .
C20 H20F 0.9776 .
O1 H1A 0.8400 .
O1 H20E 0.6905 .
O1W H1W 0.8400 .
O2 O2 1.01(2) 2_756
O2 H2A 0.8554 .
O2 H2B 0.8553 .
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_4
C8 C3 C4 C5 2.7(4) .
N3 C3 C4 C5 -178.0(2) .
C3 C4 C5 C6 -3.4(4) .
C3 C4 C5 C9 174.7(3) .
C4 C5 C6 C7 2.4(4) .
C9 C5 C6 C7 -176.0(3) .
C4 C5 C6 C17 -177.6(2) .
C9 C5 C6 C17 3.9(3) .
C5 C6 C7 C8 -0.5(4) .
C17 C6 C7 C8 179.5(3) .
C4 C3 C8 C7 -0.9(4) .
N3 C3 C8 C7 179.8(2) .
C6 C7 C8 C3 -0.2(4) .
C4 C5 C9 C12 178.2(3) .
C6 C5 C9 C12 -3.6(3) .
C4 C5 C9 C10 -65.0(4) .
C6 C5 C9 C10 113.3(3) .
C4 C5 C9 C11 57.9(4) .
C6 C5 C9 C11 -123.8(3) .
C5 C9 C12 C13 -178.3(3) .
C10 C9 C12 C13 64.5(4) .
C11 C9 C12 C13 -57.4(4) .
C5 C9 C12 C17 1.9(3) .
C10 C9 C12 C17 -115.3(3) .
C11 C9 C12 C17 122.8(3) .
C17 C12 C13 C14 -0.5(4) .
C9 C12 C13 C14 179.8(3) .
C12 C13 C14 C15 0.4(4) .
C12 C13 C14 N4 -179.0(2) .
C13 C14 C15 C16 -0.2(4) .
N4 C14 C15 C16 179.2(2) .
C14 C15 C16 C17 0.2(4) .
C15 C16 C17 C12 -0.3(4) .
C15 C16 C17 C6 179.7(3) .
C13 C12 C17 C16 0.5(4) .
C9 C12 C17 C16 -179.7(3) .
C13 C12 C17 C6 -179.5(2) .
C9 C12 C17 C6 0.3(3) .
C7 C6 C17 C16 -2.6(5) .
C5 C6 C17 C16 177.4(3) .
C7 C6 C17 C12 177.3(3) .
C5 C6 C17 C12 -2.6(3) .
N3 C2 N1 C1 -0.3(3) .
N3 C2 N1 Ni1 -179.63(17) .
N2 C1 N1 C2 0.6(3) .
N2 C1 N1 Ni1 179.96(19) .
N1 C1 N2 N3 -0.7(3) .
N1 C2 N3 N2 -0.1(3) .
N1 C2 N3 C3 177.6(2) .
C1 N2 N3 C2 0.5(3) .
C1 N2 N3 C3 -177.4(2) .
C8 C3 N3 C2 -37.0(4) .
C4 C3 N3 C2 143.6(3) .
C8 C3 N3 N2 140.5(3) .
C4 C3 N3 N2 -38.9(4) .
N6 C19 N4 N5 -1.7(3) .
N6 C19 N4 C14 -176.9(2) .
C15 C14 N4 C19 -43.2(4) .
C13 C14 N4 C19 136.2(3) .
C15 C14 N4 N5 142.1(3) .
C13 C14 N4 N5 -38.5(4) .
N6 C18 N5 N4 -1.0(3) .
C19 N4 N5 C18 1.6(3) .
C14 N4 N5 C18 177.2(2) .
N4 C19 N6 C18 1.0(3) .
N4 C19 N6 Ni1 176.88(16) 4
N5 C18 N6 C19 0.1(3) .
N5 C18 N6 Ni1 -175.76(19) 4
C2 N1 Ni1 N6 34.3(2) 4_545
C1 N1 Ni1 N6 -144.9(3) 4_545
C2 N1 Ni1 N6 -145.7(2) 8
C1 N1 Ni1 N6 35.1(3) 8
C2 N1 Ni1 N1 35(100) 5_655
C1 N1 Ni1 N1 -144(100) 5_655
C2 N1 Ni1 Cl1 -55.2(2) 5_655
C1 N1 Ni1 Cl1 125.6(2) 5_655
C2 N1 Ni1 Cl1 124.8(2) .
C1 N1 Ni1 Cl1 -54.4(2) .
