#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:42:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180481 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/50/7215019.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_7215019
loop_
_publ_author_name
'Huang, Fu-Ping'
'Li, Hai-Ye'
'Yu, Qing'
'Bian, He-Dong'
'Tian, Jin-Lei'
'Yan, Shi-Ping'
'Liao, Dai-Zheng'
'Cheng, Peng'
_publ_section_title
;
 Co(ii)/Ni(ii) coordination polymers incorporated with a bent connector:
 crystal structures and magnetic properties
;
_journal_issue                   14
_journal_name_full               CrystEngComm
_journal_page_first              4756
_journal_paper_doi               10.1039/c2ce25586c
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C42 H40 N14 Ni2 O15'
_chemical_formula_weight         1098.74
_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                 116.37(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.368(6)
_cell_length_b                   11.144(2)
_cell_length_c                   16.695(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4729(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.1033
_diffrn_reflns_av_sigmaI/netI    0.1069
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12716
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    0.880
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.547
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         4129
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1399
_refine_ls_R_factor_gt           0.0808
_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)+(0.0423P)²+40.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1471
_refine_ls_wR_factor_ref         0.1712
_reflns_number_gt                2689
_reflns_number_total             4129
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25586c.txt
_cod_data_source_block           5
_cod_original_cell_volume        4728.6(16)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7215019
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
Ni1 Ni 0.2500 0.2500 0.0000 0.0188(3) Uani 1 2 d S . .
Ni2 Ni 0.2500 -0.2500 0.0000 0.0214(3) Uani 1 2 d S . .
C1 C 0.2353(2) -0.0017(6) 0.0717(4) 0.0209(13) Uani 1 1 d . . .
C2 C 0.2295(2) -0.0584(6) 0.1500(4) 0.0220(14) Uani 1 1 d . . .
C3 C 0.2663(3) -0.1435(6) 0.2077(4) 0.0242(15) Uani 1 1 d . . .
C4 C 0.3134(3) -0.1917(6) 0.1970(5) 0.0282(16) Uani 1 1 d . . .
C5 C 0.1887(3) -0.0155(6) 0.1672(4) 0.0260(15) Uani 1 1 d . . .
H5 H 0.1649 0.0410 0.1300 0.031 Uiso 1 1 calc R . .
C6 C 0.1846(2) -0.0605(6) 0.2427(4) 0.0262(15) Uani 1 1 d . . .
C7 C 0.2214(3) -0.1424(6) 0.3013(4) 0.0243(15) Uani 1 1 d . . .
C8 C 0.2618(3) -0.1859(6) 0.2828(4) 0.0266(16) Uani 1 1 d . . .
H8 H 0.2854 -0.2425 0.3201 0.032 Uiso 1 1 calc R . .
C9 C 0.1682(3) -0.0937(6) 0.3566(4) 0.0317(17) Uani 1 1 d . . .
H9 H 0.1522 -0.0893 0.3947 0.038 Uiso 1 1 calc R . .
C10 C 0.3543(3) 0.0894(6) 0.0909(4) 0.0321(17) Uani 1 1 d . . .
H10 H 0.3360 0.0502 0.1176 0.038 Uiso 1 1 calc R . .
C11 C 0.4058(3) 0.0546(6) 0.1157(4) 0.0331(17) Uani 1 1 d . . .
H11 H 0.4210 -0.0059 0.1578 0.040 Uiso 1 1 calc R . .
C12 C 0.4346(3) 0.1108(6) 0.0771(4) 0.0284(16) Uani 1 1 d . . .
C13 C 0.4093(3) 0.2005(7) 0.0161(5) 0.0372(19) Uani 1 1 d . . .
H13 H 0.4269 0.2419 -0.0109 0.045 Uiso 1 1 calc R . .
C14 C 0.3576(3) 0.2287(6) -0.0049(4) 0.0359(19) Uani 1 1 d . . .
H14 H 0.3416 0.2887 -0.0471 0.043 Uiso 1 1 calc R . .
C15 C 0.4896(3) 0.0805(6) 0.0984(5) 0.0332(17) Uani 1 1 d . . .
C16 C 0.5635(3) 0.0928(7) 0.0951(5) 0.0354(18) Uani 1 1 d . . .
C17 C 0.6084(3) 0.1294(6) 0.0759(4) 0.0286(16) Uani 1 1 d . . .
C18 C 0.5993(3) 0.2153(6) 0.0101(5) 0.0371(19) Uani 1 1 d . . .
H18 H 0.5663 0.2505 -0.0202 0.045 Uiso 1 1 calc R . .
C19 C 0.6402(3) 0.2473(6) -0.0095(4) 0.0319(16) Uani 1 1 d . . .
H19 H 0.6338 0.3054 -0.0531 0.038 Uiso 1 1 calc R . .
C20 C 0.6966(3) 0.1157(6) 0.0945(4) 0.0323(17) Uani 1 1 d . . .
H20 H 0.7299 0.0816 0.1240 0.039 Uiso 1 1 calc R . .
C21 C 0.6581(3) 0.0785(6) 0.1176(5) 0.0350(18) Uani 1 1 d . . .
H21 H 0.6653 0.0197 0.1610 0.042 Uiso 1 1 calc R . .
N1 N 0.3288(2) 0.1761(5) 0.0309(3) 0.0250(13) Uani 1 1 d . . .
N2 N 0.5166(2) 0.1469(5) 0.0619(4) 0.0332(14) Uani 1 1 d . . .
N3 N 0.5173(2) -0.0104(6) 0.1500(4) 0.0358(14) Uani 1 1 d . . .
N4 N 0.5655(2) -0.0025(5) 0.1479(4) 0.0350(14) Uani 1 1 d D . .
N5 N 0.6885(2) 0.1989(5) 0.0312(4) 0.0255(13) Uani 1 1 d . . .
N6 N 0.1502(2) -0.0317(5) 0.2785(3) 0.0311(14) Uani 1 1 d D . .
N7 N 0.2107(2) -0.1617(5) 0.3746(3) 0.0257(13) Uani 1 1 d . . .
O1 O 0.23485(17) 0.1113(4) 0.0696(3) 0.0247(10) Uani 1 1 d . . .
O2 O 0.23972(17) -0.0684(4) 0.0136(3) 0.0271(11) Uani 1 1 d . . .
O3 O 0.30657(17) -0.2570(4) 0.1313(3) 0.0323(11) Uani 1 1 d . . .
O4 O 0.3581(2) -0.1677(5) 0.2587(4) 0.0497(15) Uani 1 1 d . . .
O5 O 0.4267(3) 0.6480(6) 0.2843(6) 0.108(3) Uani 1 1 d DU . .
O6 O 0.5000 0.7702(17) 0.2500 0.205(7) Uani 1 2 d SU . .
O7 O 0.0536(17) 0.000(4) 0.381(3) 0.224(8) Uani 0.346(15) 1 d PU A 1
O8 O 0.514(8) 0.489(19) 0.101(12) 0.90(5) Uani 0.346(15) 1 d PU A 1
O7' O 0.5135(8) 0.607(2) 0.0328(16) 0.224(8) Uani 0.654(15) 1 d PU A 2
O8' O 0.9846(16) 0.876(3) 0.2256(14) 0.90(5) Uani 0.654(15) 1 d PU . 2
H6A H 0.5111 0.7290 0.3011 1.082 Uiso 1 1 d R . .
H5A H 0.4174 0.6363 0.2301 1.082 Uiso 1 1 d RD . .
H5B H 0.4132 0.7195 0.2843 1.082 Uiso 1 1 d RD . .
H4 H 0.5857 -0.0700 0.1757 1.082 Uiso 1 1 d RD . .
H6 H 0.1228 0.0124 0.2593 1.082 Uiso 1 1 d RD . .
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'
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
O1 Ni1 O1 180.0(2) 7 . y
O1 Ni1 N7 93.29(18) 7 4 y
O1 Ni1 N7 86.71(18) . 4 y
O1 Ni1 N7 86.71(18) 7 6 y
O1 Ni1 N7 93.29(18) . 6 y
N7 Ni1 N7 180.0(4) 4 6 y
O1 Ni1 N1 88.23(18) 7 . y
O1 Ni1 N1 91.77(18) . . y
N7 Ni1 N1 84.76(19) 4 . y
N7 Ni1 N1 95.24(19) 6 . y
O1 Ni1 N1 91.77(18) 7 7 y
O1 Ni1 N1 88.23(18) . 7 y
N7 Ni1 N1 95.24(19) 4 7 y
N7 Ni1 N1 84.76(19) 6 7 y
N1 Ni1 N1 180.0(3) . 7 y
O3 Ni2 O3 180.0(5) . 7_545 y
O3 Ni2 O2 90.08(18) . . y
O3 Ni2 O2 89.92(18) 7_545 . y
O3 Ni2 O2 89.92(18) . 7_545 y
O3 Ni2 O2 90.08(18) 7_545 7_545 y
O2 Ni2 O2 180.0(2) . 7_545 y
O3 Ni2 N5 86.22(19) . 5_655 y
O3 Ni2 N5 93.78(19) 7_545 5_655 y
O2 Ni2 N5 86.29(18) . 5_655 y
O2 Ni2 N5 93.71(18) 7_545 5_655 y
O3 Ni2 N5 93.78(19) . 3_445 y
O3 Ni2 N5 86.22(19) 7_545 3_445 y
O2 Ni2 N5 93.71(18) . 3_445 y
O2 Ni2 N5 86.29(18) 7_545 3_445 y
N5 Ni2 N5 180.0(3) 5_655 3_445 y
O1 C1 O2 124.5(5) . . ?
O1 C1 C2 115.8(5) . . ?
O2 C1 C2 119.8(6) . . ?
C5 C2 C3 121.0(5) . . ?
C5 C2 C1 116.7(5) . . ?
C3 C2 C1 122.1(5) . . ?
C8 C3 C2 120.0(6) . . ?
C8 C3 C4 114.9(6) . . ?
C2 C3 C4 125.0(5) . . ?
O4 C4 O3 123.0(6) . . ?
O4 C4 C3 116.6(6) . . ?
O3 C4 C3 120.2(6) . . ?
C2 C5 C6 117.9(6) . . ?
C2 C5 H5 121.1 . . ?
C6 C5 H5 121.1 . . ?
N6 C6 C7 107.4(5) . . ?
N6 C6 C5 130.9(6) . . ?
C7 C6 C5 121.5(6) . . ?
C8 C7 N7 131.0(6) . . ?
C8 C7 C6 120.0(5) . . ?
N7 C7 C6 108.9(5) . . ?
C3 C8 C7 119.5(6) . . ?
C3 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
N7 C9 N6 114.8(5) . . ?
N7 C9 H9 122.6 . . ?
N6 C9 H9 122.6 . . ?
N1 C10 C11 124.7(6) . . ?
N1 C10 H10 117.6 . . ?
C11 C10 H10 117.6 . . ?
C10 C11 C12 119.5(6) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C13 C12 C11 116.6(6) . . ?
C13 C12 C15 119.4(6) . . ?
C11 C12 C15 124.0(6) . . ?
C12 C13 C14 119.7(6) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
N1 C14 C13 125.1(6) . . ?
N1 C14 H14 117.5 . . ?
C13 C14 H14 117.5 . . ?
N3 C15 N2 114.0(6) . . ?
N3 C15 C12 125.7(6) . . ?
N2 C15 C12 120.2(6) . . ?
N2 C16 N4 111.5(6) . . ?
N2 C16 C17 124.8(6) . . ?
N4 C16 C17 123.6(6) . . ?
C21 C17 C18 118.0(6) . . ?
C21 C17 C16 123.4(6) . . ?
C18 C17 C16 118.5(6) . . ?
C19 C18 C17 118.8(6) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
N5 C19 C18 123.4(6) . . ?
N5 C19 H19 118.3 . . ?
C18 C19 H19 118.3 . . ?
N5 C20 C21 123.2(6) . . ?
N5 C20 H20 118.4 . . ?
C21 C20 H20 118.4 . . ?
C20 C21 C17 119.5(6) . . ?
C20 C21 H21 120.2 . . ?
C17 C21 H21 120.2 . . ?
C14 N1 C10 114.3(6) . . ?
C14 N1 Ni1 119.0(4) . . ?
C10 N1 Ni1 126.3(4) . . ?
C16 N2 C15 102.7(6) . . ?
C15 N3 N4 103.9(5) . . ?
C16 N4 N3 107.9(5) . . ?
C16 N4 H4 142.0 . . ?
N3 N4 H4 109.2 . . ?
C19 N5 C20 117.0(6) . . ?
C19 N5 Ni2 122.5(4) . 3 ?
C20 N5 Ni2 120.5(4) . 3 ?
C9 N6 C6 105.0(5) . . ?
C9 N6 H6 123.0 . . ?
C6 N6 H6 131.9 . . ?
C9 N7 C7 103.9(5) . . ?
C9 N7 Ni1 120.6(4) . 4_545 ?
C7 N7 Ni1 135.0(4) . 4_545 ?
C1 O1 Ni1 138.8(4) . . ?
C1 O2 Ni2 136.1(4) . . ?
C4 O3 Ni2 130.6(4) . . ?
H5A O5 H5B 102.3 . . ?
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
Ni1 O1 2.090(4) 7 y
Ni1 O1 2.090(4) . y
Ni1 N7 2.126(5) 4 y
Ni1 N7 2.126(5) 6 y
Ni1 N1 2.217(5) . y
Ni1 N1 2.217(5) 7 y
Ni2 O3 2.064(4) . y
Ni2 O3 2.064(4) 7_545 y
Ni2 O2 2.071(4) . y
Ni2 O2 2.071(4) 7_545 y
Ni2 N5 2.110(5) 5_655 y
Ni2 N5 2.110(5) 3_445 y
C1 O1 1.260(7) . ?
C1 O2 1.272(7) . ?
C1 C2 1.524(8) . ?
C2 C5 1.397(8) . ?
C2 C3 1.423(9) . ?
C3 C8 1.398(8) . ?
C3 C4 1.521(9) . ?
C4 O4 1.257(8) . ?
C4 O3 1.259(7) . ?
C5 C6 1.409(8) . ?
C5 H5 0.9300 . ?
C6 N6 1.390(8) . ?
C6 C7 1.404(9) . ?
C7 C8 1.398(8) . ?
C7 N7 1.404(7) . ?
C8 H8 0.9300 . ?
C9 N7 1.340(8) . ?
C9 N6 1.359(8) . ?
C9 H9 0.9300 . ?
C10 N1 1.347(8) . ?
C10 C11 1.386(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.394(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.380(9) . ?
C12 C15 1.477(9) . ?
C13 C14 1.384(9) . ?
C13 H13 0.9300 . ?
C14 N1 1.344(8) . ?
C14 H14 0.9300 . ?
C15 N3 1.335(9) . ?
C15 N2 1.386(8) . ?
C16 N2 1.335(8) . ?
C16 N4 1.365(8) . ?
C16 C17 1.501(9) . ?
C17 C21 1.386(9) . ?
C17 C18 1.392(9) . ?
C18 C19 1.384(9) . ?
C18 H18 0.9300 . ?
C19 N5 1.343(8) . ?
C19 H19 0.9300 . ?
C20 N5 1.347(8) . ?
C20 C21 1.375(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
N3 N4 1.387(7) . ?
N4 H4 0.9339 . ?
N5 Ni2 2.110(5) 3 ?
N6 H6 0.8530 . ?
N7 Ni1 2.126(5) 4_545 ?
O5 H5A 0.8333 . ?
O5 H5B 0.8841 . ?
O6 H6A 0.8932 . ?
O8' O8' 0.89(6) 2_755 ?
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_4
O1 C1 C2 C5 48.7(8) . .
O2 C1 C2 C5 -130.7(6) . .
O1 C1 C2 C3 -126.2(6) . .
O2 C1 C2 C3 54.5(8) . .
C5 C2 C3 C8 0.3(10) . .
C1 C2 C3 C8 174.9(6) . .
C5 C2 C3 C4 -177.3(6) . .
C1 C2 C3 C4 -2.7(10) . .
C8 C3 C4 O4 -61.3(8) . .
C2 C3 C4 O4 116.4(7) . .
C8 C3 C4 O3 115.3(7) . .
C2 C3 C4 O3 -67.0(9) . .
C3 C2 C5 C6 -0.9(9) . .
C1 C2 C5 C6 -175.8(6) . .
C2 C5 C6 N6 176.9(7) . .
C2 C5 C6 C7 2.5(10) . .
N6 C6 C7 C8 -178.9(6) . .
C5 C6 C7 C8 -3.4(10) . .
N6 C6 C7 N7 -1.6(7) . .
C5 C6 C7 N7 174.0(6) . .
C2 C3 C8 C7 -1.1(10) . .
C4 C3 C8 C7 176.7(6) . .
N7 C7 C8 C3 -174.1(6) . .
C6 C7 C8 C3 2.6(10) . .
N1 C10 C11 C12 -0.2(11) . .
C10 C11 C12 C13 0.7(10) . .
C10 C11 C12 C15 -179.8(7) . .
C11 C12 C13 C14 -1.1(10) . .
C15 C12 C13 C14 179.4(7) . .
C12 C13 C14 N1 1.1(11) . .
C13 C12 C15 N3 -173.9(7) . .
C11 C12 C15 N3 6.5(11) . .
C13 C12 C15 N2 4.3(10) . .
C11 C12 C15 N2 -175.3(6) . .
N2 C16 C17 C21 173.9(7) . .
N4 C16 C17 C21 -7.5(11) . .
N2 C16 C17 C18 -8.9(11) . .
N4 C16 C17 C18 169.8(7) . .
C21 C17 C18 C19 -1.1(10) . .
C16 C17 C18 C19 -178.5(6) . .
C17 C18 C19 N5 0.7(11) . .
N5 C20 C21 C17 -1.1(11) . .
C18 C17 C21 C20 1.3(10) . .
C16 C17 C21 C20 178.5(7) . .
C13 C14 N1 C10 -0.5(10) . .
C13 C14 N1 Ni1 172.7(6) . .
C11 C10 N1 C14 0.1(10) . .
C11 C10 N1 Ni1 -172.5(5) . .
O1 Ni1 N1 C14 -4.7(5) 7 .
O1 Ni1 N1 C14 175.3(5) . .
N7 Ni1 N1 C14 -98.2(5) 4 .
N7 Ni1 N1 C14 81.8(5) 6 .
N1 Ni1 N1 C14 98(100) 7 .
O1 Ni1 N1 C10 167.6(5) 7 .
O1 Ni1 N1 C10 -12.4(5) . .
N7 Ni1 N1 C10 74.1(5) 4 .
N7 Ni1 N1 C10 -105.9(5) 6 .
N1 Ni1 N1 C10 -90(100) 7 .
N4 C16 N2 C15 0.9(8) . .
C17 C16 N2 C15 179.7(7) . .
N3 C15 N2 C16 -0.9(8) . .
C12 C15 N2 C16 -179.3(6) . .
N2 C15 N3 N4 0.6(8) . .
C12 C15 N3 N4 178.9(6) . .
N2 C16 N4 N3 -0.6(8) . .
C17 C16 N4 N3 -179.4(6) . .
C15 N3 N4 C16 0.0(7) . .
C18 C19 N5 C20 -0.4(10) . .
C18 C19 N5 Ni2 -179.9(5) . 3
C21 C20 N5 C19 0.7(10) . .
C21 C20 N5 Ni2 -179.9(5) . 3
N7 C9 N6 C6 -0.9(8) . .
C7 C6 N6 C9 1.5(7) . .
C5 C6 N6 C9 -173.5(7) . .
N6 C9 N7 C7 0.0(8) . .
N6 C9 N7 Ni1 173.0(4) . 4_545
C8 C7 N7 C9 178.0(7) . .
C6 C7 N7 C9 1.0(7) . .
C8 C7 N7 Ni1 6.4(11) . 4_545
C6 C7 N7 Ni1 -170.6(5) . 4_545
O2 C1 O1 Ni1 -11.2(10) . .
C2 C1 O1 Ni1 169.5(4) . .
O1 Ni1 O1 C1 87(100) 7 .
N7 Ni1 O1 C1 -137.4(6) 4 .
N7 Ni1 O1 C1 42.6(6) 6 .
N1 Ni1 O1 C1 -52.7(6) . .
N1 Ni1 O1 C1 127.3(6) 7 .
O1 C1 O2 Ni2 172.0(4) . .
C2 C1 O2 Ni2 -8.8(9) . .
O3 Ni2 O2 C1 -44.3(6) . .
O3 Ni2 O2 C1 135.7(6) 7_545 .
O2 Ni2 O2 C1 106(100) 7_545 .
N5 Ni2 O2 C1 -130.5(6) 5_655 .
N5 Ni2 O2 C1 49.5(6) 3_445 .
O4 C4 O3 Ni2 -146.8(5) . .
C3 C4 O3 Ni2 36.8(9) . .
O3 Ni2 O3 C4 -73(73) 7_545 .
O2 Ni2 O3 C4 25.3(6) . .
O2 Ni2 O3 C4 -154.7(6) 7_545 .
N5 Ni2 O3 C4 111.6(6) 5_655 .
N5 Ni2 O3 C4 -68.4(6) 3_445 .
