#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:29:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180041 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/35/7033565.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_7033565
loop_
_publ_author_name
'Zhuang, Peng-Fei'
'Zhang, Yan-Juan'
'Zheng, Hui'
'Jiao, Cheng-Qi'
'Zhao, Liang'
'Wang, Jun-Li'
'He, Cheng'
'Duan, Chun-Ying'
'Liu, Tao'
_publ_section_title
;
 Single-molecule magnet behavior in three cyano-bridged heterometallic
 Fe(III)-Ni(II) clusters.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3393
_journal_page_last               3398
_journal_paper_doi               10.1039/c4dt03365e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C70 H66 B4 F8 Fe2 N34 Ni2 O4'
_chemical_formula_weight         1871.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2014-12-30 deposited with the CCDC.
2015-01-07 downloaded from the CCDC.
;
_cell_angle_alpha                104.044(16)
_cell_angle_beta                 91.199(14)
_cell_angle_gamma                99.696(15)
_cell_formula_units_Z            1
_cell_length_a                   11.365(3)
_cell_length_b                   13.635(3)
_cell_length_c                   14.687(3)
_cell_measurement_reflns_used    3356
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.56
_cell_measurement_theta_min      2.37
_cell_volume                     2171.8(9)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0525
_diffrn_reflns_av_unetI/netI     0.0835
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14637
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.838
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.431
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             956
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.185
_refine_diff_density_min         -0.813
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     546
_refine_ls_number_reflns         7630
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.1144
_refine_ls_R_factor_gt           0.0918
_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)+(0.0969P)²+12.6226P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2473
_refine_ls_wR_factor_ref         0.2574
_reflns_number_gt                5626
_reflns_number_total             7630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03365e2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033564--7033566.cif.
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7033565
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.79338(8) 0.76507(7) 0.52997(7) 0.0322(3) Uani 1 1 d . . .
Ni1 Ni 1.00872(8) 0.88353(7) 0.26495(6) 0.0328(3) Uani 1 1 d . . .
B1 B 0.7631(8) 0.5774(7) 0.6149(7) 0.045(2) Uani 1 1 d . . .
B2 B 0.4897(13) 0.2048(12) 0.9324(11) 0.199(13) Uiso 1 1 d D . .
F1 F 0.538(2) 0.1993(19) 1.0248(12) 0.172(5) Uiso 0.389(10) 1 d PDU A 1
F2 F 0.3762(18) 0.134(2) 0.9200(19) 0.163(5) Uiso 0.389(10) 1 d PDU A 1
F3 F 0.491(3) 0.3124(14) 0.942(2) 0.173(5) Uiso 0.389(10) 1 d PDU A 1
F4 F 0.536(3) 0.123(2) 0.8679(15) 0.162(5) Uiso 0.389(10) 1 d PDU A 1
F1' F 0.4452(17) 0.2318(15) 0.8489(12) 0.165(4) Uiso 0.611(10) 1 d PDU A 2
F2' F 0.3799(15) 0.1636(15) 0.9628(14) 0.161(4) Uiso 0.611(10) 1 d PDU A 2
F3' F 0.5864(16) 0.1585(15) 0.8963(14) 0.163(4) Uiso 0.611(10) 1 d PDU A 2
F4' F 0.542(2) 0.2968(14) 1.0008(14) 0.179(4) Uiso 0.611(10) 1 d PDU A 2
N1 N 0.7189(5) 0.6211(4) 0.4626(4) 0.0372(13) Uani 1 1 d . . .
N2 N 0.7031(5) 0.5494(5) 0.5155(5) 0.0417(15) Uani 1 1 d . . .
N3 N 0.7012(5) 0.7486(5) 0.6423(4) 0.0376(13) Uani 1 1 d . . .
N4 N 0.7079(6) 0.6637(5) 0.6756(4) 0.0427(15) Uani 1 1 d . . .
N5 N 0.9270(5) 0.7075(5) 0.5754(4) 0.0396(14) Uani 1 1 d . . .
N6 N 0.8971(5) 0.6204(5) 0.6081(5) 0.0434(15) Uani 1 1 d . . .
N7 N 0.9051(5) 0.9865(5) 0.6366(4) 0.0385(14) Uani 1 1 d . . .
N8 N 0.5969(7) 0.8512(7) 0.4446(6) 0.068(2) Uani 1 1 d D . .
N9 N 0.9234(5) 0.8218(5) 0.3644(5) 0.0402(14) Uani 1 1 d . . .
N10 N 1.1438(5) 0.7978(4) 0.2609(4) 0.0366(13) Uani 1 1 d . . .
N11 N 0.9361(6) 0.7502(5) 0.1632(4) 0.0395(14) Uani 1 1 d . . .
N12 N 0.9787(7) 0.5860(6) 0.0867(6) 0.064(2) Uani 1 1 d . . .
N13 N 1.2063(6) 0.6474(5) 0.1735(6) 0.061(2) Uani 1 1 d . . .
N14 N 0.8758(6) 0.9640(5) 0.2425(5) 0.0443(15) Uani 1 1 d . . .
N15 N 1.0812(6) 0.9568(5) 0.1621(4) 0.0425(15) Uani 1 1 d . . .
N16 N 1.0597(8) 1.0960(7) 0.0959(6) 0.073(2) Uani 1 1 d . . .
N17 N 0.8352(9) 1.0917(7) 0.1653(7) 0.083(3) Uani 1 1 d . . .
C1 C 0.6695(9) 0.6246(8) 0.2963(7) 0.068(3) Uani 1 1 d . . .
H1A H 0.6251 0.6799 0.3115 0.101 Uiso 1 1 calc R . .
H1B H 0.6332 0.5754 0.2403 0.101 Uiso 1 1 calc R . .
H1C H 0.7504 0.6513 0.2859 0.101 Uiso 1 1 calc R . .
C2 C 0.6690(7) 0.5737(6) 0.3759(5) 0.0425(17) Uani 1 1 d . . .
C3 C 0.6216(7) 0.4714(6) 0.3737(6) 0.051(2) Uani 1 1 d . . .
H3 H 0.5830 0.4211 0.3224 0.061 Uiso 1 1 calc R . .
C4 C 0.6437(6) 0.4602(6) 0.4632(6) 0.0427(18) Uani 1 1 d . . .
C5 C 0.6092(8) 0.3656(6) 0.4997(7) 0.061(2) Uani 1 1 d . . .
H5A H 0.6761 0.3309 0.4984 0.091 Uiso 1 1 calc R . .
H5B H 0.5434 0.3204 0.4607 0.091 Uiso 1 1 calc R . .
H5C H 0.5860 0.3853 0.5631 0.091 Uiso 1 1 calc R . .
C6 C 0.6427(10) 0.5895(9) 0.8100(7) 0.075(3) Uani 1 1 d . . .
H6A H 0.6039 0.5250 0.7699 0.113 Uiso 1 1 calc R . .
H6B H 0.5969 0.6077 0.8637 0.113 Uiso 1 1 calc R . .
H6C H 0.7214 0.5835 0.8304 0.113 Uiso 1 1 calc R . .
C7 C 0.6520(7) 0.6715(7) 0.7566(5) 0.0479(19) Uani 1 1 d . . .
C8 C 0.6084(7) 0.7613(7) 0.7765(6) 0.053(2) Uani 1 1 d . . .
H8 H 0.5669 0.7862 0.8286 0.064 Uiso 1 1 calc R . .
C9 C 0.6382(6) 0.8082(6) 0.7037(6) 0.0440(18) Uani 1 1 d . . .
C10 C 0.6098(8) 0.9071(7) 0.6932(7) 0.057(2) Uani 1 1 d . . .
H10A H 0.6760 0.9432 0.6680 0.085 Uiso 1 1 calc R . .
H10B H 0.5951 0.9480 0.7535 0.085 Uiso 1 1 calc R . .
H10C H 0.5398 0.8942 0.6513 0.085 Uiso 1 1 calc R . .
C11 C 0.9942(10) 0.4910(9) 0.6621(9) 0.082(3) Uani 1 1 d . . .
H11A H 0.9726 0.5036 0.7262 0.122 Uiso 1 1 calc R . .
H11B H 1.0723 0.4727 0.6584 0.122 Uiso 1 1 calc R . .
H11C H 0.9370 0.4358 0.6237 0.122 Uiso 1 1 calc R . .
C12 C 0.9956(8) 0.5861(7) 0.6279(7) 0.056(2) Uani 1 1 d . . .
C13 C 1.0916(8) 0.6534(8) 0.6100(7) 0.060(2) Uani 1 1 d . . .
H13 H 1.1718 0.6495 0.6185 0.072 Uiso 1 1 calc R . .
C14 C 1.0481(6) 0.7276(6) 0.5776(5) 0.0427(18) Uani 1 1 d . . .
C15 C 1.1162(7) 0.8142(7) 0.5419(7) 0.056(2) Uani 1 1 d . . .
H15A H 1.1124 0.7948 0.4744 0.084 Uiso 1 1 calc R . .
H15B H 1.1982 0.8283 0.5657 0.084 Uiso 1 1 calc R . .
H15C H 1.0813 0.8746 0.5628 0.084 Uiso 1 1 calc R . .
C16 C 0.8648(6) 0.9051(6) 0.5963(5) 0.0368(16) Uani 1 1 d . . .
C17 C 0.6671(7) 0.8192(6) 0.4795(6) 0.0456(18) Uani 1 1 d . . .
C18 C 0.8764(6) 0.7950(5) 0.4243(5) 0.0345(15) Uani 1 1 d . . .
C19 C 0.8263(7) 0.7255(7) 0.1188(6) 0.053(2) Uani 1 1 d . . .
H19 H 0.7748 0.7728 0.1294 0.063 Uiso 1 1 calc R . .
C20 C 0.7904(9) 0.6308(8) 0.0580(7) 0.066(3) Uani 1 1 d . . .
H20 H 0.7144 0.6125 0.0276 0.079 Uiso 1 1 calc R . .
C21 C 0.8702(10) 0.5629(8) 0.0429(7) 0.075(3) Uani 1 1 d . . .
H21 H 0.8471 0.4990 0.0008 0.090 Uiso 1 1 calc R . .
C22 C 1.0057(7) 0.6776(6) 0.1437(5) 0.0401(17) Uani 1 1 d . . .
C23 C 1.1268(7) 0.7088(6) 0.1958(5) 0.0413(17) Uani 1 1 d . . .
C24 C 1.3127(9) 0.6790(8) 0.2211(8) 0.074(3) Uani 1 1 d . . .
H24 H 1.3723 0.6399 0.2053 0.089 Uiso 1 1 calc R . .
C25 C 1.3377(8) 0.7676(7) 0.2929(7) 0.059(2) Uani 1 1 d . . .
H25 H 1.4110 0.7869 0.3274 0.071 Uiso 1 1 calc R . .
C26 C 1.2495(7) 0.8258(6) 0.3111(6) 0.0427(17) Uani 1 1 d . . .
H26 H 1.2632 0.8859 0.3591 0.051 Uiso 1 1 calc R . .
C27 C 1.1864(8) 0.9494(7) 0.1206(6) 0.053(2) Uani 1 1 d . . .
H27 H 1.2284 0.8987 0.1283 0.063 Uiso 1 1 calc R . .
C28 C 1.2315(9) 1.0158(8) 0.0673(6) 0.066(3) Uani 1 1 d . . .
H28 H 1.3028 1.0106 0.0382 0.079 Uiso 1 1 calc R . .
C29 C 1.1653(10) 1.0918(10) 0.0589(8) 0.078(3) Uani 1 1 d . . .
H29 H 1.1959 1.1403 0.0266 0.093 Uiso 1 1 calc R . .
C30 C 1.0227(8) 1.0282(6) 0.1456(6) 0.0481(19) Uani 1 1 d . . .
C31 C 0.9027(8) 1.0291(7) 0.1882(6) 0.056(2) Uani 1 1 d . . .
C32 C 0.7260(13) 1.0815(12) 0.2025(11) 0.109(5) Uani 1 1 d . . .
H32 H 0.6723 1.1207 0.1877 0.131 Uiso 1 1 calc R . .
C33 C 0.6904(10) 1.0205(11) 0.2578(9) 0.087(4) Uani 1 1 d . . .
H33 H 0.6158 1.0188 0.2828 0.105 Uiso 1 1 calc R . .
C34 C 0.7678(8) 0.9593(8) 0.2770(7) 0.060(2) Uani 1 1 d . . .
H34 H 0.7446 0.9143 0.3145 0.072 Uiso 1 1 calc R . .
O2 O 0.376(2) 0.939(2) 0.525(2) 0.341(13) Uiso 1 1 d D . .
O1 O 0.9400(13) 0.2534(11) 0.0421(11) 0.167(5) Uiso 1 1 d D . .
C35 C 0.992(4) 0.326(3) 0.128(2) 0.127(14) Uiso 0.389(10) 1 d PD A 1
C35' C 0.844(2) 0.302(2) 0.086(2) 0.138(10) Uiso 0.611(10) 1 d PD 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'
B B 0.0013 0.0007 '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'
Fe Fe 0.3463 0.8444 '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'
F F 0.0171 0.0103 '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
C18 Fe1 C17 83.8(3) . .
C18 Fe1 C16 85.4(3) . .
C17 Fe1 C16 88.6(3) . .
C18 Fe1 N5 93.4(3) . .
C17 Fe1 N5 177.0(3) . .
C16 Fe1 N5 92.4(3) . .
C18 Fe1 N1 95.1(3) . .
C17 Fe1 N1 91.3(3) . .
C16 Fe1 N1 179.5(3) . .
N5 Fe1 N1 87.7(2) . .
C18 Fe1 N3 173.9(3) . .
C17 Fe1 N3 91.7(3) . .
C16 Fe1 N3 90.3(3) . .
N5 Fe1 N3 91.2(2) . .
N1 Fe1 N3 89.2(2) . .
N9 Ni1 N10 92.8(2) . .
N9 Ni1 N7 93.2(2) . 2_776
N10 Ni1 N7 97.0(2) . 2_776
N9 Ni1 N14 95.3(3) . .
N10 Ni1 N14 169.5(2) . .
N7 Ni1 N14 89.1(2) 2_776 .
N9 Ni1 N11 89.1(2) . .
N10 Ni1 N11 78.6(2) . .
N7 Ni1 N11 175.2(2) 2_776 .
N14 Ni1 N11 94.8(2) . .
N9 Ni1 N15 173.6(2) . .
N10 Ni1 N15 93.6(2) . .
N7 Ni1 N15 86.3(2) 2_776 .
N14 Ni1 N15 78.3(3) . .
N11 Ni1 N15 92.0(2) . .
N4 B1 N2 108.3(6) . .
N4 B1 N6 107.8(7) . .
N2 B1 N6 107.3(7) . .
F2' B2 F3' 131.4(19) . .
F2' B2 F4' 109.0(16) . .
F3' B2 F4' 105.6(16) . .
F2' B2 F3 107.3(18) . .
F3' B2 F3 121.3(19) . .
F4' B2 F3 45.7(11) . .
F2' B2 F2 26.4(14) . .
F3' B2 F2 114(2) . .
F4' B2 F2 135.0(19) . .
F3 B2 F2 120(2) . .
F2' B2 F4 110(2) . .
F3' B2 F4 29.3(14) . .
F4' B2 F4 134.8(19) . .
F3 B2 F4 136(2) . .
F2 B2 F4 87(2) . .
F2' B2 F1' 99.1(15) . .
F3' B2 F1' 100.6(14) . .
F4' B2 F1' 109.2(14) . .
F3 B2 F1' 64.3(13) . .
F2 B2 F1' 84.3(14) . .
F4 B2 F1' 86.9(14) . .
F2' B2 F1 84.0(15) . .
F3' B2 F1 85.0(15) . .
F4' B2 F1 59.8(11) . .
F3 B2 F1 104.6(9) . .
F2 B2 F1 102.4(9) . .
F4 B2 F1 102.3(9) . .
F1' B2 F1 168.8(13) . .
C2 N1 N2 107.1(6) . .
C2 N1 Fe1 135.8(5) . .
N2 N1 Fe1 116.8(4) . .
C4 N2 N1 109.7(6) . .
C4 N2 B1 130.7(7) . .
N1 N2 B1 119.2(6) . .
C9 N3 N4 106.8(6) . .
C9 N3 Fe1 135.1(5) . .
N4 N3 Fe1 117.7(4) . .
C7 N4 N3 109.3(6) . .
C7 N4 B1 132.2(7) . .
N3 N4 B1 118.3(6) . .
C14 N5 N6 106.2(6) . .
C14 N5 Fe1 136.1(5) . .
N6 N5 Fe1 117.5(4) . .
C12 N6 N5 110.4(7) . .
C12 N6 B1 130.6(7) . .
N5 N6 B1 118.9(6) . .
C16 N7 Ni1 165.5(6) . 2_776
C18 N9 Ni1 174.6(6) . .
C23 N10 C26 116.9(6) . .
C23 N10 Ni1 115.7(5) . .
C26 N10 Ni1 127.2(5) . .
C19 N11 C22 116.4(7) . .
C19 N11 Ni1 128.0(6) . .
C22 N11 Ni1 115.5(5) . .
C22 N12 C21 115.5(8) . .
C23 N13 C24 116.1(8) . .
C31 N14 C34 116.6(7) . .
C31 N14 Ni1 115.8(5) . .
C34 N14 Ni1 127.7(6) . .
C30 N15 C27 116.9(7) . .
C30 N15 Ni1 114.4(5) . .
C27 N15 Ni1 128.1(6) . .
C30 N16 C29 116.8(9) . .
C31 N17 C32 112.1(10) . .
N1 C2 C3 108.7(7) . .
N1 C2 C1 123.9(7) . .
C3 C2 C1 127.4(7) . .
C4 C3 C2 106.2(7) . .
N2 C4 C3 108.3(7) . .
N2 C4 C5 123.7(8) . .
C3 C4 C5 128.1(7) . .
N4 C7 C8 108.6(7) . .
N4 C7 C6 122.1(8) . .
C8 C7 C6 129.3(8) . .
C7 C8 C9 106.6(7) . .
N3 C9 C8 108.7(7) . .
N3 C9 C10 124.2(7) . .
C8 C9 C10 127.1(7) . .
N6 C12 C13 106.8(8) . .
N6 C12 C11 123.9(9) . .
C13 C12 C11 129.3(8) . .
C14 C13 C12 108.0(7) . .
N5 C14 C13 108.5(7) . .
N5 C14 C15 122.7(7) . .
C13 C14 C15 128.6(7) . .
N7 C16 Fe1 178.5(7) . .
N8 C17 Fe1 175.5(8) . .
N9 C18 Fe1 173.6(6) . .
N11 C19 C20 120.0(8) . .
C19 C20 C21 118.4(8) . .
N12 C21 C20 122.2(8) . .
N12 C22 N11 127.4(7) . .
N12 C22 C23 118.4(7) . .
N11 C22 C23 114.2(6) . .
N13 C23 N10 126.0(7) . .
N13 C23 C22 118.5(7) . .
N10 C23 C22 115.5(6) . .
N13 C24 C25 122.4(8) . .
C26 C25 C24 117.1(8) . .
N10 C26 C25 121.3(8) . .
N15 C27 C28 120.9(9) . .
C27 C28 C29 117.3(9) . .
N16 C29 C28 121.6(9) . .
N16 C30 N15 126.3(8) . .
N16 C30 C31 118.9(8) . .
N15 C30 C31 114.8(7) . .
N14 C31 N17 127.7(9) . .
N14 C31 C30 115.3(7) . .
N17 C31 C30 116.9(9) . .
C33 C32 N17 125.2(10) . .
C32 C33 C34 117.6(10) . .
N14 C34 C33 120.7(10) . .
C35 O1 C35' 73(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 C18 1.924(8) .
Fe1 C17 1.933(8) .
Fe1 C16 1.948(8) .
Fe1 N5 1.995(6) .
Fe1 N1 2.003(6) .
Fe1 N3 2.011(6) .
Ni1 N9 2.040(7) .
Ni1 N10 2.074(6) .
Ni1 N7 2.074(6) 2_776
Ni1 N14 2.076(6) .
Ni1 N11 2.084(6) .
Ni1 N15 2.114(6) .
B1 N4 1.528(11) .
B1 N2 1.531(11) .
B1 N6 1.552(11) .
B2 F2' 1.407(10) .
B2 F3' 1.408(10) .
B2 F4' 1.431(10) .
B2 F3 1.438(10) .
B2 F2 1.454(10) .
B2 F4 1.455(10) .
B2 F1' 1.467(10) .
B2 F1 1.477(10) .
N1 C2 1.344(9) .
N1 N2 1.381(8) .
N2 C4 1.332(9) .
N3 C9 1.362(9) .
N3 N4 1.374(8) .
N4 C7 1.350(10) .
N5 C14 1.355(9) .
N5 N6 1.379(9) .
N6 C12 1.336(10) .
N7 C16 1.137(9) .
N7 Ni1 2.074(6) 2_776
N8 C17 1.138(10) .
N9 C18 1.143(9) .
N10 C23 1.332(9) .
N10 C26 1.344(9) .
N11 C19 1.347(10) .
N11 C22 1.350(9) .
N12 C22 1.307(10) .
N12 C21 1.331(13) .
N13 C23 1.325(10) .
N13 C24 1.334(12) .
N14 C31 1.333(11) .
N14 C34 1.335(11) .
N15 C30 1.332(10) .
N15 C27 1.361(10) .
N16 C30 1.332(11) .
N16 C29 1.333(14) .
N17 C31 1.334(11) .
N17 C32 1.366(17) .
C1 C2 1.498(12) .
C2 C3 1.401(11) .
C3 C4 1.382(12) .
C4 C5 1.509(11) .
C6 C7 1.505(12) .
C7 C8 1.367(12) .
C8 C9 1.393(12) .
C9 C10 1.481(12) .
C11 C12 1.497(13) .
C12 C13 1.377(13) .
C13 C14 1.374(11) .
C14 C15 1.509(12) .
C19 C20 1.372(12) .
C20 C21 1.385(14) .
C22 C23 1.504(10) .
C24 C25 1.380(14) .
C25 C26 1.371(11) .
C27 C28 1.378(13) .
C28 C29 1.406(15) .
C30 C31 1.513(13) .
C32 C33 1.321(18) .
C33 C34 1.379(14) .
O1 C35 1.444(10) .
O1 C35' 1.452(10) .
