#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/63/7116319.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_7116319
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                 130.316(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.941(13)
_cell_length_b                   21.240(15)
_cell_length_c                   13.616(10)
_cell_measurement_reflns_used    2730
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.984
_cell_measurement_theta_min      2.961
_cell_volume                     3956(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10323
_diffrn_reflns_theta_full        25.60
_diffrn_reflns_theta_max         25.60
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  0.9476
_exptl_absorpt_correction_T_min  0.8873
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.443
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1788
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.482
_refine_diff_density_min         -0.312
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3720
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0702
_refine_ls_R_factor_gt           0.0473
_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)+(0.0656P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1239
_reflns_number_gt                2735
_reflns_number_total             3720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc08003c2.cif
_cod_data_source_block           130416am
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C40 H41 Cl2 N12 Ni O2.50'
_cod_database_code               7116319
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 0.5590(3) 0.14172(15) 1.0075(4) 0.0400(9) Uani 1 1 d . . .
H1 H 0.5396 0.1537 1.0536 0.048 Uiso 1 1 calc R . .
C2 C 0.5867(2) 0.08517(14) 0.9094(3) 0.0309(7) Uani 1 1 d . . .
H2 H 0.5923 0.0514 0.8710 0.037 Uiso 1 1 calc R . .
C3 C 0.6570(2) 0.16954(15) 0.8618(3) 0.0307(7) Uani 1 1 d . . .
C4 C 0.6288(2) 0.22846(15) 0.8058(3) 0.0336(8) Uani 1 1 d . . .
H4 H 0.5834 0.2521 0.8022 0.040 Uiso 1 1 calc R . .
C5 C 0.6700(2) 0.25153(15) 0.7550(3) 0.0316(8) Uani 1 1 d . . .
C6 C 0.7410(2) 0.21658(15) 0.7659(3) 0.0309(7) Uani 1 1 d . . .
C7 C 0.7694(2) 0.15804(15) 0.8248(3) 0.0363(8) Uani 1 1 d . . .
H7 H 0.8171 0.1350 0.8326 0.044 Uiso 1 1 calc R . .
C8 C 0.7262(3) 0.13422(16) 0.8717(3) 0.0381(8) Uani 1 1 d . . .
H8 H 0.7436 0.0946 0.9098 0.046 Uiso 1 1 calc R . .
C9 C 0.6462(2) 0.31189(15) 0.6806(3) 0.0337(8) Uani 1 1 d . . .
C10 C 0.6615(3) 0.37074(17) 0.7569(4) 0.0473(10) Uani 1 1 d . . .
H10A H 0.6187 0.3691 0.7763 0.071 Uiso 1 1 calc R . .
H10B H 0.6472 0.4076 0.7066 0.071 Uiso 1 1 calc R . .
H10C H 0.7282 0.3723 0.8357 0.071 Uiso 1 1 calc R . .
C11 C 0.5411(3) 0.3105(2) 0.5520(4) 0.0530(11) Uani 1 1 d . . .
H11A H 0.5317 0.2733 0.5050 0.080 Uiso 1 1 calc R . .
H11B H 0.5295 0.3471 0.5025 0.080 Uiso 1 1 calc R . .
H11C H 0.4963 0.3100 0.5680 0.080 Uiso 1 1 calc R . .
C12 C 0.7187(2) 0.30846(16) 0.6579(3) 0.0314(8) Uani 1 1 d . . .
C13 C 0.7334(2) 0.35198(15) 0.5967(3) 0.0336(8) Uani 1 1 d . . .
H13 H 0.6966 0.3887 0.5623 0.040 Uiso 1 1 calc R . .
C14 C 0.8045(2) 0.33923(15) 0.5880(3) 0.0317(8) Uani 1 1 d . . .
C15 C 0.8595(2) 0.28447(15) 0.6368(3) 0.0352(8) Uani 1 1 d . . .
H15 H 0.9064 0.2770 0.6287 0.042 Uiso 1 1 calc R . .
C16 C 0.8441(2) 0.24071(16) 0.6979(3) 0.0351(8) Uani 1 1 d . . .
H16 H 0.8806 0.2038 0.7315 0.042 Uiso 1 1 calc R . .
C17 C 0.7731(2) 0.25305(14) 0.7080(3) 0.0295(7) Uani 1 1 d . . .
C18 C 0.7960(3) 0.45325(16) 0.3994(3) 0.0395(9) Uani 1 1 d . . .
H18 H 0.7644 0.4812 0.3306 0.047 Uiso 1 1 calc R . .
C19 C 0.9072(2) 0.40370(15) 0.5638(3) 0.0312(7) Uani 1 1 d . . .
H19 H 0.9679 0.3888 0.6357 0.037 Uiso 1 1 calc R . .
C20 C 0.5742(10) 0.5084(7) 0.4272(14) 0.278(7) Uani 0.50 1 d PDU A 1
H20A H 0.5129 0.5280 0.3907 0.418 Uiso 0.50 1 d PR A 1
H20B H 0.5623 0.4674 0.3898 0.418 Uiso 0.50 1 d PR A 1
H20C H 0.6087 0.5337 0.4097 0.418 Uiso 0.50 1 d PR A 1
O1 O 0.6360(10) 0.5034(5) 0.5701(13) 0.179(5) Uani 0.50 1 d PDU A 1
H1A H 0.6102 0.5225 0.5936 0.269 Uiso 0.50 1 d PR A 1
C20W C 0.5742(10) 0.5084(7) 0.4272(14) 0.278(7) Uani 0.50 1 d PDU B 2
H20D H 0.6132 0.4930 0.4119 0.418 Uiso 0.50 1 d PR B 2
H20E H 0.6155 0.5215 0.5200 0.418 Uiso 0.50 1 d PR B 2
H20F H 0.5425 0.5483 0.3795 0.418 Uiso 0.50 1 d PR B 2
O1W O 0.5010(13) 0.4646(8) 0.404(2) 0.284(9) Uani 0.50 1 d PDU B 2
H1W H 0.4514 0.4695 0.3290 0.427 Uiso 0.50 1 d PR B 2
Cl1 Cl 0.61561(6) 0.02059(4) 1.23047(8) 0.0368(2) Uani 1 1 d . . .
N1 N 0.55185(19) 0.08145(12) 0.9696(2) 0.0294(6) Uani 1 1 d . . .
N2 N 0.5949(2) 0.18175(12) 0.9753(3) 0.0405(7) Uani 1 1 d . . .
N3 N 0.61282(19) 0.14413(12) 0.9113(3) 0.0306(6) Uani 1 1 d . . .
N4 N 0.82213(19) 0.38375(12) 0.5264(3) 0.0312(6) Uani 1 1 d . . .
N5 N 0.7483(2) 0.41668(14) 0.4199(3) 0.0417(7) Uani 1 1 d . . .
N6 N 0.89403(19) 0.44749(12) 0.4850(3) 0.0294(6) Uani 1 1 d . . .
Ni1 Ni 0.5000 0.0000 1.0000 0.02499(18) Uani 1 2 d S . .
O2 O 1.0000 0.0946(10) 0.7500 0.262(10) Uani 0.50 2 d SPU . .
H2A H 0.9962 0.0967 0.7934 0.394 Uiso 0.25 1 d PR . .
H2B H 1.0391 0.1217 0.7753 0.394 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 110.3(3) . .
N1 C2 H2 124.9 . .
N3 C2 H2 124.9 . .
C4 C3 C8 122.2(3) . .
C4 C3 N3 118.9(3) . .
C8 C3 N3 119.0(3) . .
C3 C4 C5 118.2(3) . .
C3 C4 H4 120.9 . .
C5 C4 H4 120.9 . .
C4 C5 C6 120.2(3) . .
C4 C5 C9 128.4(3) . .
C6 C5 C9 111.4(3) . .
C7 C6 C5 120.5(3) . .
C7 C6 C17 131.3(3) . .
C5 C6 C17 108.1(3) . .
C8 C7 C6 119.3(3) . .
C8 C7 H7 120.3 . .
C6 C7 H7 120.3 . .
C3 C8 C7 119.6(3) . .
C3 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C5 C9 C12 100.8(3) . .
C5 C9 C10 112.8(3) . .
C12 C9 C10 112.1(3) . .
C5 C9 C11 110.7(3) . .
C12 C9 C11 110.4(3) . .
C10 C9 C11 109.8(3) . .
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 121.0(3) . .
C13 C12 C9 127.9(3) . .
C17 C12 C9 111.2(3) . .
C12 C13 C14 117.9(3) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C13 C14 C15 122.3(3) . .
C13 C14 N4 119.2(3) . .
C15 C14 N4 118.6(3) . .
C14 C15 C16 119.6(3) . .
C14 C15 H15 120.2 . .
C16 C15 H15 120.2 . .
C15 C16 C17 118.8(3) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
C16 C17 C12 120.4(3) . .
C16 C17 C6 131.2(3) . .
C12 C17 C6 108.4(3) . .
N5 C18 N6 115.4(3) . .
N5 C18 H18 122.3 . .
N6 C18 H18 122.3 . .
N6 C19 N4 110.8(3) . .
N6 C19 H19 124.6 . .
N4 C19 H19 124.6 . .
O1 C20 H20A 109.9 . .
O1 C20 H20B 110.5 . .
H20A C20 H20B 109.5 . .
O1 C20 H20C 108.0 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O1 C20 H20D 103.9 . .
H20A C20 H20D 146.0 . .
H20B C20 H20D 59.5 . .
H20C C20 H20D 55.2 . .
O1 C20 H20E 20.2 . .
H20A C20 H20E 101.3 . .
H20B C20 H20E 130.4 . .
H20C C20 H20E 95.0 . .
H20D C20 H20E 109.7 . .
O1 C20 H20F 122.8 . .
H20A C20 H20F 46.6 . .
H20B C20 H20F 126.1 . .
H20C C20 H20F 62.9 . .
H20D C20 H20F 110.8 . .
H20E C20 H20F 103.3 . .
C20 O1 H1A 110.0 . .
C20 O1 H20E 32.2 . .
H1A O1 H20E 92.2 . .
H20A O1W H20B 72.8 . .
H20A O1W H1W 81.1 . .
H20B O1W H1W 98.7 . .
C2 N1 C1 102.4(3) . .
C2 N1 Ni1 127.8(2) . .
C1 N1 Ni1 129.8(2) . .
C1 N2 N3 101.8(3) . .
C2 N3 N2 109.8(2) . .
C2 N3 C3 129.6(3) . .
N2 N3 C3 120.6(3) . .
C19 N4 N5 109.2(3) . .
C19 N4 C14 128.5(3) . .
N5 N4 C14 122.1(3) . .
C18 N5 N4 102.1(3) . .
C19 N6 C18 102.4(3) . .
C19 N6 Ni1 128.4(2) . 4_656
C18 N6 Ni1 129.0(2) . 4_656
N6 Ni1 N6 180.00(16) 4_646 8_456
N6 Ni1 N1 88.18(11) 4_646 .
N6 Ni1 N1 91.82(11) 8_456 .
N6 Ni1 N1 91.82(11) 4_646 5_657
N6 Ni1 N1 88.18(11) 8_456 5_657
N1 Ni1 N1 180.00(17) . 5_657
N6 Ni1 Cl1 89.57(9) 4_646 5_657
N6 Ni1 Cl1 90.43(9) 8_456 5_657
N1 Ni1 Cl1 90.59(8) . 5_657
N1 Ni1 Cl1 89.41(8) 5_657 5_657
N6 Ni1 Cl1 90.43(9) 4_646 .
N6 Ni1 Cl1 89.57(9) 8_456 .
N1 Ni1 Cl1 89.41(8) . .
N1 Ni1 Cl1 90.59(8) 5_657 .
Cl1 Ni1 Cl1 180.0 5_657 .
H2A O2 H2B 98.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N2 1.301(4) .
C1 N1 1.355(4) .
C1 H1 0.9300 .
C2 N1 1.316(4) .
C2 N3 1.331(4) .
C2 H2 0.9300 .
C3 C4 1.380(4) .
C3 C8 1.380(5) .
C3 N3 1.438(4) .
C4 C5 1.388(4) .
C4 H4 0.9300 .
C5 C6 1.396(4) .
C5 C9 1.515(4) .
C6 C7 1.386(4) .
C6 C17 1.464(4) .
C7 C8 1.381(4) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 C12 1.520(4) .
C9 C10 1.533(5) .
C9 C11 1.533(5) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C13 1.380(4) .
C12 C17 1.393(4) .
C13 C14 1.382(4) .
C13 H13 0.9300 .
C14 C15 1.385(5) .
C14 N4 1.429(4) .
C15 C16 1.389(4) .
C15 H15 0.9300 .
C16 C17 1.392(4) .
C16 H16 0.9300 .
C18 N5 1.314(4) .
C18 N6 1.346(4) .
C18 H18 0.9300 .
C19 N6 1.320(4) .
C19 N4 1.328(4) .
C19 H19 0.9300 .
C20 O1 1.495(9) .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C20 H20D 0.9111 .
C20 H20E 1.0054 .
C20 H20F 0.9931 .
O1 H1A 0.8200 .
O1 H20E 0.6510 .
O1W H20A 1.3958 .
O1W H20B 1.2388 .
O1W H1W 0.8200 .
Cl1 Ni1 2.4328(19) .
N1 Ni1 2.128(3) .
N2 N3 1.365(4) .
N4 N5 1.364(4) .
N6 Ni1 2.097(3) 4_656
Ni1 N6 2.097(3) 4_646
Ni1 N6 2.097(3) 8_456
Ni1 N1 2.128(3) 5_657
Ni1 Cl1 2.4328(19) 5_657
O2 H2A 0.6396 .
O2 H2B 0.7918 .
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 1.9(5) .
N3 C3 C4 C5 -178.1(3) .
C3 C4 C5 C6 -2.6(5) .
C3 C4 C5 C9 175.0(3) .
C4 C5 C6 C7 1.4(5) .
C9 C5 C6 C7 -176.6(3) .
C4 C5 C6 C17 -178.2(3) .
C9 C5 C6 C17 3.8(4) .
C5 C6 C7 C8 0.6(5) .
C17 C6 C7 C8 -179.9(3) .
C4 C3 C8 C7 0.2(5) .
N3 C3 C8 C7 -179.9(3) .
C6 C7 C8 C3 -1.4(5) .
C4 C5 C9 C12 178.7(3) .
C6 C5 C9 C12 -3.5(4) .
C4 C5 C9 C10 59.0(5) .
C6 C5 C9 C10 -123.2(3) .
C4 C5 C9 C11 -64.4(5) .
C6 C5 C9 C11 113.4(3) .
C5 C9 C12 C13 -178.2(3) .
C10 C9 C12 C13 -58.0(5) .
C11 C9 C12 C13 64.7(5) .
C5 C9 C12 C17 1.9(4) .
C10 C9 C12 C17 122.1(3) .
C11 C9 C12 C17 -115.1(3) .
C17 C12 C13 C14 -0.7(5) .
C9 C12 C13 C14 179.4(3) .
C12 C13 C14 C15 0.9(5) .
C12 C13 C14 N4 -179.3(3) .
C13 C14 C15 C16 -0.7(5) .
N4 C14 C15 C16 179.6(3) .
C14 C15 C16 C17 0.3(5) .
C15 C16 C17 C12 -0.2(5) .
C15 C16 C17 C6 180.0(3) .
C13 C12 C17 C16 0.4(5) .
C9 C12 C17 C16 -179.7(3) .
C13 C12 C17 C6 -179.7(3) .
C9 C12 C17 C6 0.2(4) .
C7 C6 C17 C16 -2.1(6) .
C5 C6 C17 C16 177.4(3) .
C7 C6 C17 C12 178.0(3) .
C5 C6 C17 C12 -2.4(4) .
N3 C2 N1 C1 -0.1(4) .
N3 C2 N1 Ni1 -179.3(2) .
N2 C1 N1 C2 0.2(4) .
N2 C1 N1 Ni1 179.4(2) .
N1 C1 N2 N3 -0.2(4) .
N1 C2 N3 N2 -0.1(4) .
N1 C2 N3 C3 177.7(3) .
C1 N2 N3 C2 0.2(4) .
C1 N2 N3 C3 -177.8(3) .
C4 C3 N3 C2 142.6(3) .
C8 C3 N3 C2 -37.4(5) .
C4 C3 N3 N2 -39.9(4) .
C8 C3 N3 N2 140.1(3) .
N6 C19 N4 N5 -1.8(4) .
N6 C19 N4 C14 -176.8(3) .
C13 C14 N4 C19 136.7(3) .
C15 C14 N4 C19 -43.5(5) .
C13 C14 N4 N5 -37.7(4) .
C15 C14 N4 N5 142.0(3) .
N6 C18 N5 N4 -1.3(4) .
C19 N4 N5 C18 1.8(4) .
C14 N4 N5 C18 177.2(3) .
N4 C19 N6 C18 0.9(4) .
N4 C19 N6 Ni1 176.14(19) 4_656
N5 C18 N6 C19 0.3(4) .
N5 C18 N6 Ni1 -174.9(2) 4_656
C2 N1 Ni1 N6 34.0(3) 4_646
C1 N1 Ni1 N6 -145.0(3) 4_646
C2 N1 Ni1 N6 -146.0(3) 8_456
C1 N1 Ni1 N6 35.0(3) 8_456
C2 N1 Ni1 N1 -145(24) 5_657
C1 N1 Ni1 N1 36(24) 5_657
C2 N1 Ni1 Cl1 -55.5(3) 5_657
C1 N1 Ni1 Cl1 125.5(3) 5_657
C2 N1 Ni1 Cl1 124.5(3) .
C1 N1 Ni1 Cl1 -54.5(3) .
