#------------------------------------------------------------------------------
#$Date: 2019-11-28 21:26:54 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244668 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/93/7239357.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_7239357
loop_
_publ_author_name
'Zhou, Hongbo'
'Yan, Jiahao'
'Shen, Xiaoping'
'Zhou, Hu'
'Yuan, Aihua'
_publ_section_title
;
 Low dimensional cyano-bridged heterobimetallic M--FeIII(M = NiII, CuII)
 complexes constructed from Mer-[FeIII(qcq)(CN)3]−building blocks:
 syntheses, structures and magnetic properties
;
_journal_issue                   1
_journal_name_full               'RSC Adv.'
_journal_page_first              61
_journal_paper_doi               10.1039/C3RA45218B
_journal_volume                  4
_journal_year                    2014
_chemical_formula_moiety         'C48 H40 Fe2 N16 Ni O2, 2(H2 O)'
_chemical_formula_sum            'C48 H44 Fe2 N16 Ni O4'
_chemical_formula_weight         1079.40
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                90.311(2)
_cell_angle_beta                 106.740(3)
_cell_angle_gamma                104.011(2)
_cell_formula_units_Z            1
_cell_length_a                   9.3769(16)
_cell_length_b                   10.441(2)
_cell_length_c                   14.992(3)
_cell_measurement_reflns_used    3725
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.85
_cell_measurement_theta_min      2.11
_cell_volume                     1359.3(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_sigmaI/netI    0.0799
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12576
_diffrn_reflns_theta_full        25.91
_diffrn_reflns_theta_max         25.91
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    0.925
_exptl_absorpt_correction_T_max  0.8208
_exptl_absorpt_correction_T_min  0.7799
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.508
_refine_diff_density_min         -0.307
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5140
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1016
_refine_ls_R_factor_gt           0.0607
_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)+(0.05P)²+0.66P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1175
_refine_ls_wR_factor_ref         0.1297
_reflns_number_gt                3169
_reflns_number_total             5140
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra45218b.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7239357
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
C1 C 0.4907(5) 0.6895(4) 0.3277(3) 0.0464(10) Uani 1 1 d .
C2 C 0.2669(5) 0.6061(4) 0.1764(3) 0.0509(10) Uani 1 1 d .
C3 C 0.5932(5) 0.9322(5) 0.2656(3) 0.0505(10) Uani 1 1 d .
C4 C 0.6649(5) 0.6186(4) 0.1970(3) 0.0491(10) Uani 1 1 d .
H4 H 0.6718 0.5974 0.2594 0.059 Uiso 1 1 calc R
C5 C 0.7541(5) 0.5697(4) 0.1511(3) 0.0565(11) Uani 1 1 d .
H5 H 0.8176 0.5150 0.1818 0.068 Uiso 1 1 calc R
C6 C 0.7492(5) 0.6011(4) 0.0621(3) 0.0557(11) Uani 1 1 d .
H6 H 0.8117 0.5710 0.0311 0.067 Uiso 1 1 calc R
C7 C 0.6490(5) 0.6797(4) 0.0164(3) 0.0491(10) Uani 1 1 d .
C8 C 0.6359(5) 0.7229(4) -0.0749(3) 0.0520(10) Uani 1 1 d .
H8 H 0.6971 0.6991 -0.1097 0.062 Uiso 1 1 calc R
C9 C 0.5386(5) 0.7966(4) -0.1122(3) 0.0560(11) Uani 1 1 d .
H9 H 0.5323 0.8246 -0.1730 0.067 Uiso 1 1 calc R
C10 C 0.4455(5) 0.8334(4) -0.0635(3) 0.0545(11) Uani 1 1 d .
H10 H 0.3754 0.8837 -0.0928 0.065 Uiso 1 1 calc R
C11 C 0.4539(5) 0.7980(4) 0.0263(3) 0.0501(10) Uani 1 1 d .
C12 C 0.5617(5) 0.7215(4) 0.0674(3) 0.0490(10) Uani 1 1 d .
C13 C 0.2469(5) 0.8694(4) 0.0589(3) 0.0457(9) Uani 1 1 d .
C14 C 0.1848(5) 0.8837(4) 0.1390(3) 0.0480(10) Uani 1 1 d .
C15 C 0.0481(5) 0.9224(4) 0.1262(3) 0.0509(10) Uani 1 1 d .
H15 H -0.0074 0.9393 0.0655 0.061 Uiso 1 1 calc R
C16 C -0.0066(5) 0.9363(4) 0.1994(3) 0.0515(10) Uani 1 1 d .
H16 H -0.1043 0.9541 0.1901 0.062 Uiso 1 1 calc R
C17 C 0.0886(5) 0.9231(4) 0.2917(3) 0.0458(9) Uani 1 1 d .
C18 C 0.0486(5) 0.9429(4) 0.3707(3) 0.0542(11) Uani 1 1 d .
H18 H -0.0493 0.9587 0.3644 0.065 Uiso 1 1 calc R
C19 C 0.1447(5) 0.9407(4) 0.4579(3) 0.0528(11) Uani 1 1 d .
H19 H 0.1160 0.9591 0.5114 0.063 Uiso 1 1 calc R
C20 C 0.2847(5) 0.9115(4) 0.4679(3) 0.0484(10) Uani 1 1 d .
H20 H 0.3521 0.9116 0.5289 0.058 Uiso 1 1 calc R
C21 C 0.3279(5) 0.8827(4) 0.3926(3) 0.0530(11) Uani 1 1 d .
H21 H 0.4233 0.8607 0.4010 0.064 Uiso 1 1 calc R
C22 C 0.2273(5) 0.8859(4) 0.2994(3) 0.0490(10) Uani 1 1 d .
C23 C 0.4969(5) 0.6938(5) 0.6388(3) 0.0574(11) Uani 1 1 d .
H23A H 0.4940 0.6437 0.6944 0.069 Uiso 1 1 calc R
H23B H 0.4653 0.7759 0.6469 0.069 Uiso 1 1 calc R
C24 C 0.6568(5) 0.7289(4) 0.6320(3) 0.0512(10) Uani 1 1 d .
H24A H 0.6662 0.7996 0.5888 0.061 Uiso 1 1 calc R
H24B H 0.7291 0.7647 0.6943 0.061 Uiso 1 1 calc R
Fe1 Fe 0.43181(7) 0.76981(6) 0.20903(4) 0.04530(19) Uani 1 1 d .
N1 N 0.5207(4) 0.6345(3) 0.3948(2) 0.0438(8) Uani 1 1 d .
N2 N 0.1721(4) 0.5105(4) 0.1596(3) 0.0590(10) Uani 1 1 d .
N3 N 0.6844(4) 1.0298(4) 0.2979(3) 0.0551(9) Uani 1 1 d .
N4 N 0.5722(4) 0.6922(3) 0.1578(2) 0.0510(9) Uani 1 1 d .
N5 N 0.3744(4) 0.8250(3) 0.0844(2) 0.0468(8) Uani 1 1 d .
N6 N 0.2715(4) 0.8596(3) 0.2228(2) 0.0440(8) Uani 1 1 d .
N7 N 0.3919(4) 0.6164(3) 0.5578(2) 0.0515(9) Uani 1 1 d .
H7A H 0.3538 0.6712 0.5145 0.062 Uiso 1 1 calc R
H7B H 0.3105 0.5627 0.5733 0.062 Uiso 1 1 calc R
N8 N 0.7017(4) 0.6168(4) 0.5992(3) 0.0568(9) Uani 1 1 d .
H8A H 0.7366 0.5684 0.6481 0.068 Uiso 1 1 calc R
H8B H 0.7786 0.6460 0.5718 0.068 Uiso 1 1 calc R
Ni1 Ni 0.5000 0.5000 0.5000 0.0466(2) Uani 1 2 d S
O1 O 0.1799(3) 0.8966(3) -0.01945(19) 0.0519(7) Uani 1 1 d .
O1W O 0.0083(8) 0.2659(7) 0.1802(5) 0.057(2) Uani 0.40 1 d P
H1X H -0.0469 0.2120 0.1334 0.069 Uiso 0.40 1 d PR
H1Y H 0.0821 0.3177 0.1659 0.069 Uiso 0.40 1 d PR
O2W O 0.0770(10) 0.7317(8) 0.6612(6) 0.051(2) Uani 0.30 1 d P
H2X H -0.0060 0.7464 0.6865 0.061 Uiso 0.30 1 d PR
H2Y H 0.1208 0.8112 0.6835 0.061 Uiso 0.30 1 d PR
O3W O 0.1252(10) 0.5026(10) 0.6199(6) 0.052(2) Uani 0.30 1 d P
H3X H 0.0703 0.4405 0.6411 0.062 Uiso 0.30 1 d PR
H3Y H 0.1090 0.5762 0.6329 0.062 Uiso 0.30 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'
Fe Fe 0.3463 0.8444 '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'
O O 0.0106 0.0060 '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'
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 C1 Fe1 175.8(4) . .
N2 C2 Fe1 178.4(4) . .
N3 C3 Fe1 177.8(4) . .
N4 C4 C5 123.1(4) . .
N4 C4 H4 118.4 . .
C5 C4 H4 118.4 . .
C6 C5 C4 119.7(4) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 119.1(4) . .
C5 C6 H6 120.5 . .
C7 C6 H6 120.5 . .
C12 C7 C8 118.1(4) . .
C12 C7 C6 116.9(4) . .
C8 C7 C6 125.0(4) . .
C9 C8 C7 120.8(4) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 121.6(4) . .
C8 C9 H9 119.2 . .
C10 C9 H9 119.2 . .
C11 C10 C9 121.2(4) . .
C11 C10 H10 119.4 . .
C9 C10 H10 119.4 . .
N5 C11 C10 129.7(4) . .
N5 C11 C12 113.1(3) . .
C10 C11 C12 117.2(4) . .
N4 C12 C7 122.9(4) . .
N4 C12 C11 116.1(4) . .
C7 C12 C11 121.0(4) . .
O1 C13 N5 127.9(4) . .
O1 C13 C14 119.9(4) . .
N5 C13 C14 112.3(3) . .
N6 C14 C15 123.4(4) . .
N6 C14 C13 115.3(3) . .
C15 C14 C13 121.3(3) . .
C16 C15 C14 120.9(4) . .
C16 C15 H15 119.6 . .
C14 C15 H15 119.6 . .
C15 C16 C17 117.8(4) . .
C15 C16 H16 121.1 . .
C17 C16 H16 121.1 . .
C18 C17 C22 119.7(4) . .
C18 C17 C16 122.5(4) . .
C22 C17 C16 117.9(4) . .
C19 C18 C17 122.0(4) . .
C19 C18 H18 119.0 . .
C17 C18 H18 119.0 . .
C18 C19 C20 119.5(4) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C21 C20 C19 121.6(4) . .
C21 C20 H20 119.2 . .
C19 C20 H20 119.2 . .
C20 C21 C22 119.4(4) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
N6 C22 C17 122.7(4) . .
N6 C22 C21 119.8(4) . .
C17 C22 C21 117.5(4) . .
N7 C23 C24 111.4(4) . .
N7 C23 H23A 109.3 . .
C24 C23 H23A 109.3 . .
N7 C23 H23B 109.3 . .
C24 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
N8 C24 C23 113.4(4) . .
N8 C24 H24A 108.9 . .
C23 C24 H24A 108.9 . .
N8 C24 H24B 108.9 . .
C23 C24 H24B 108.9 . .
H24A C24 H24B 107.7 . .
N5 Fe1 C2 92.59(16) . .
N5 Fe1 C1 171.78(16) . .
C2 Fe1 C1 82.38(17) . .
N5 Fe1 C3 96.87(16) . .
C2 Fe1 C3 169.18(17) . .
C1 Fe1 C3 88.79(17) . .
N5 Fe1 N6 82.17(13) . .
C2 Fe1 N6 86.58(15) . .
C1 Fe1 N6 103.91(15) . .
C3 Fe1 N6 89.50(16) . .
N5 Fe1 N4 81.81(13) . .
C2 Fe1 N4 92.89(16) . .
C1 Fe1 N4 91.92(15) . .
C3 Fe1 N4 93.65(17) . .
N6 Fe1 N4 163.93(13) . .
C1 N1 Ni1 161.5(3) . .
C4 N4 C12 118.2(4) . .
C4 N4 Fe1 129.9(3) . .
C12 N4 Fe1 111.9(3) . .
C13 N5 C11 125.7(3) . .
C13 N5 Fe1 116.7(3) . .
C11 N5 Fe1 116.9(3) . .
C14 N6 C22 116.9(3) . .
C14 N6 Fe1 111.3(3) . .
C22 N6 Fe1 131.4(3) . .
C23 N7 Ni1 110.7(3) . .
C23 N7 H7A 109.5 . .
Ni1 N7 H7A 109.5 . .
C23 N7 H7B 109.5 . .
Ni1 N7 H7B 109.5 . .
H7A N7 H7B 108.1 . .
C24 N8 Ni1 105.9(2) . .
C24 N8 H8A 110.6 . .
Ni1 N8 H8A 110.6 . .
C24 N8 H8B 110.6 . .
Ni1 N8 H8B 110.6 . .
H8A N8 H8B 108.7 . .
N7 Ni1 N7 180.0 2_666 .
N7 Ni1 N8 82.95(14) 2_666 2_666
N7 Ni1 N8 97.05(14) . 2_666
N7 Ni1 N8 97.05(14) 2_666 .
N7 Ni1 N8 82.95(14) . .
N8 Ni1 N8 180.0 2_666 .
N7 Ni1 N1 89.03(12) 2_666 .
N7 Ni1 N1 90.97(12) . .
N8 Ni1 N1 87.59(14) 2_666 .
N8 Ni1 N1 92.41(14) . .
N7 Ni1 N1 90.97(12) 2_666 2_666
N7 Ni1 N1 89.03(12) . 2_666
N8 Ni1 N1 92.41(14) 2_666 2_666
N8 Ni1 N1 87.59(14) . 2_666
N1 Ni1 N1 180.0 . 2_666
H1X O1W H1Y 109.5 . .
H2X O2W H2Y 83.0 . .
H3X O3W H3Y 109.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.158(5) .
C1 Fe1 1.962(4) .
C2 N2 1.135(5) .
C2 Fe1 1.957(5) .
C3 N3 1.157(5) .
C3 Fe1 1.971(5) .
C4 N4 1.313(5) .
C4 C5 1.403(6) .
C4 H4 0.9500 .
C5 C6 1.366(6) .
C5 H5 0.9500 .
C6 C7 1.427(6) .
C6 H6 0.9500 .
C7 C12 1.406(6) .
C7 C8 1.424(6) .
C8 C9 1.337(6) .
C8 H8 0.9500 .
C9 C10 1.403(6) .
C9 H9 0.9500 .
C10 C11 1.383(6) .
C10 H10 0.9500 .
C11 N5 1.367(5) .
C11 C12 1.441(6) .
C12 N4 1.372(5) .
C13 O1 1.233(4) .
C13 N5 1.341(5) .
C13 C14 1.498(6) .
C14 N6 1.348(5) .
C14 C15 1.398(5) .
C15 C16 1.359(6) .
C15 H15 0.9500 .
C16 C17 1.443(6) .
C16 H16 0.9500 .
C17 C18 1.370(6) .
C17 C22 1.419(6) .
C18 C19 1.361(6) .
C18 H18 0.9500 .
C19 C20 1.385(6) .
C19 H19 0.9500 .
C20 C21 1.360(6) .
C20 H20 0.9500 .
C21 C22 1.449(6) .
C21 H21 0.9500 .
C22 N6 1.374(5) .
C23 N7 1.419(5) .
C23 C24 1.488(6) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 N8 1.463(5) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
Fe1 N5 1.922(3) .
Fe1 N6 2.010(3) .
Fe1 N4 2.018(3) .
N1 Ni1 2.137(3) .
N7 Ni1 2.085(3) .
N7 H7A 0.9200 .
N7 H7B 0.9200 .
N8 Ni1 2.126(4) .
N8 H8A 0.9200 .
N8 H8B 0.9200 .
Ni1 N7 2.085(3) 2_666
Ni1 N8 2.126(4) 2_666
Ni1 N1 2.137(3) 2_666
O1W H1X 0.8500 .
O1W H1Y 0.8500 .
O2W H2X 1.0000 .
O2W H2Y 0.8500 .
O3W H3X 0.8501 .
O3W H3Y 0.8500 .
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
N4 C4 C5 C6 1.5(7) .
C4 C5 C6 C7 -2.1(6) .
C5 C6 C7 C12 0.7(6) .
C5 C6 C7 C8 178.0(4) .
C12 C7 C8 C9 -2.7(6) .
C6 C7 C8 C9 -180.0(4) .
C7 C8 C9 C10 -0.3(7) .
C8 C9 C10 C11 1.8(7) .
C9 C10 C11 N5 179.6(4) .
C9 C10 C11 C12 -0.2(6) .
C8 C7 C12 N4 -176.1(4) .
C6 C7 C12 N4 1.4(6) .
C8 C7 C12 C11 4.3(6) .
C6 C7 C12 C11 -178.2(4) .
N5 C11 C12 N4 -2.3(5) .
C10 C11 C12 N4 177.5(4) .
N5 C11 C12 C7 177.3(4) .
C10 C11 C12 C7 -2.9(6) .
O1 C13 C14 N6 -176.0(4) .
N5 C13 C14 N6 4.6(5) .
O1 C13 C14 C15 2.6(6) .
N5 C13 C14 C15 -176.8(4) .
N6 C14 C15 C16 -0.9(7) .
C13 C14 C15 C16 -179.4(4) .
C14 C15 C16 C17 6.2(6) .
C15 C16 C17 C18 176.1(4) .
C15 C16 C17 C22 -5.0(6) .
C22 C17 C18 C19 6.5(7) .
C16 C17 C18 C19 -174.6(4) .
C17 C18 C19 C20 -3.1(7) .
C18 C19 C20 C21 -1.1(7) .
C19 C20 C21 C22 1.6(6) .
C18 C17 C22 N6 177.5(4) .
C16 C17 C22 N6 -1.4(6) .
C18 C17 C22 C21 -5.7(6) .
C16 C17 C22 C21 175.4(4) .
C20 C21 C22 N6 178.6(4) .
C20 C21 C22 C17 1.7(6) .
N7 C23 C24 N8 -46.0(5) .
C5 C4 N4 C12 0.5(6) .
C5 C4 N4 Fe1 178.8(3) .
C7 C12 N4 C4 -2.1(6) .
C11 C12 N4 C4 177.6(4) .
C7 C12 N4 Fe1 179.4(3) .
C11 C12 N4 Fe1 -0.9(5) .
N5 Fe1 N4 C4 -175.6(4) .
C2 Fe1 N4 C4 -83.4(4) .
C1 Fe1 N4 C4 -1.0(4) .
C3 Fe1 N4 C4 87.9(4) .
N6 Fe1 N4 C4 -171.1(4) .
N5 Fe1 N4 C12 2.7(3) .
C2 Fe1 N4 C12 94.9(3) .
C1 Fe1 N4 C12 177.4(3) .
C3 Fe1 N4 C12 -93.7(3) .
N6 Fe1 N4 C12 7.2(7) .
O1 C13 N5 C11 -1.7(7) .
C14 C13 N5 C11 177.7(4) .
O1 C13 N5 Fe1 -171.8(4) .
C14 C13 N5 Fe1 7.6(4) .
C10 C11 N5 C13 14.9(7) .
C12 C11 N5 C13 -165.4(4) .
C10 C11 N5 Fe1 -175.0(4) .
C12 C11 N5 Fe1 4.7(5) .
C2 Fe1 N5 C13 74.3(3) .
C3 Fe1 N5 C13 -100.4(3) .
N6 Fe1 N5 C13 -11.9(3) .
N4 Fe1 N5 C13 166.8(3) .
C2 Fe1 N5 C11 -96.7(3) .
C3 Fe1 N5 C11 88.5(3) .
N6 Fe1 N5 C11 177.1(3) .
N4 Fe1 N5 C11 -4.2(3) .
C15 C14 N6 C22 -5.5(6) .
C13 C14 N6 C22 173.0(3) .
C15 C14 N6 Fe1 167.8(3) .
C13 C14 N6 Fe1 -13.6(4) .
C17 C22 N6 C14 6.6(6) .
C21 C22 N6 C14 -170.1(4) .
C17 C22 N6 Fe1 -165.2(3) .
C21 C22 N6 Fe1 18.1(6) .
N5 Fe1 N6 C14 13.8(3) .
C2 Fe1 N6 C14 -79.3(3) .
C1 Fe1 N6 C14 -160.6(3) .
C3 Fe1 N6 C14 110.8(3) .
N4 Fe1 N6 C14 9.3(7) .
N5 Fe1 N6 C22 -174.1(4) .
C2 Fe1 N6 C22 92.8(4) .
C1 Fe1 N6 C22 11.6(4) .
C3 Fe1 N6 C22 -77.1(4) .
N4 Fe1 N6 C22 -178.6(5) .
C24 C23 N7 Ni1 30.9(4) .
C23 C24 N8 Ni1 35.4(4) .
C23 N7 Ni1 N8 170.8(3) 2_666
C23 N7 Ni1 N8 -9.2(3) .
C23 N7 Ni1 N1 -101.5(3) .
C23 N7 Ni1 N1 78.5(3) 2_666
C24 N8 Ni1 N7 165.9(3) 2_666
C24 N8 Ni1 N7 -14.1(3) .
C24 N8 Ni1 N1 76.6(3) .
C24 N8 Ni1 N1 -103.4(3) 2_666
C1 N1 Ni1 N7 101.6(10) 2_666
C1 N1 Ni1 N7 -78.4(10) .
C1 N1 Ni1 N8 18.6(10) 2_666
C1 N1 Ni1 N8 -161.4(10) .
