#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:15:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179960 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/54/7025401.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_7025401
loop_
_publ_author_name
'Miao, Yan-Li'
'Liu, Jun-Liang'
'Lin, Zhuo-Jia'
'Ou, Yong-Cong'
'Leng, Ji-Dong'
'Tong, Ming-Liang'
_publ_section_title
;
 Synthesis, structures, adsorption behaviour and magnetic properties of a
 new family of polynuclear iron clusters.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4893
_journal_page_last               4902
_journal_paper_doi               10.1039/c000126k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C84 H51 Cl Fe6 N12 O31'
_chemical_formula_weight         2094.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           148
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   21.6568(12)
_cell_length_b                   21.6568(12)
_cell_length_c                   16.8587(12)
_cell_measurement_temperature    293(2)
_cell_volume                     6847.7(7)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'ω 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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            20105
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.045
_exptl_absorpt_correction_T_max  0.8590
_exptl_absorpt_correction_T_min  0.7875
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_F_000             3180
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.536
_refine_diff_density_min         -0.300
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         3488
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0441
_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)+(0.0996P)²+1.3045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1482
_reflns_number_gt                2658
_reflns_number_total             3488
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c000126k.txt
_cod_data_source_block           complex5
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7025401
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Fe1 Fe 0.90052(2) 0.00469(2) 0.90723(2) 0.03861(18) Uani 1 1 d .
Cl1 Cl 1.0000 0.0000 1.0000 0.0361(3) Uani 1 6 d S
O1 O 1.01203(10) 0.08693(10) 0.85032(11) 0.0421(4) Uani 1 1 d .
O2 O 1.06459(12) 0.15888(13) 0.74525(14) 0.0627(6) Uani 1 1 d .
O3 O 0.83613(10) -0.08030(10) 1.00760(11) 0.0427(4) Uani 1 1 d .
O4 O 0.72836(14) -0.1494(2) 1.06032(17) 0.0957(11) Uani 1 1 d .
N1 N 0.88599(13) 0.05322(12) 0.80112(13) 0.0430(5) Uani 1 1 d .
N2 N 0.78561(12) -0.04054(13) 0.89210(13) 0.0413(5) Uani 1 1 d .
C1 C 0.93917(17) 0.09942(15) 0.75590(16) 0.0459(6) Uani 1 1 d .
C2 C 0.9270(2) 0.1271(2) 0.6862(2) 0.0622(9) Uani 1 1 d .
H2 H 0.9653 0.1602 0.6560 0.075 Uiso 1 1 calc R
C3 C 0.8582(2) 0.1050(2) 0.6624(2) 0.0683(10) Uani 1 1 d .
H3 H 0.8499 0.1222 0.6154 0.082 Uiso 1 1 calc R
C4 C 0.80091(19) 0.05675(19) 0.7092(2) 0.0587(8) Uani 1 1 d .
C5 C 0.81800(16) 0.03204(16) 0.77864(17) 0.0461(6) Uani 1 1 d .
C6 C 0.76291(15) -0.01913(16) 0.82852(17) 0.0450(6) Uani 1 1 d .
C7 C 0.69115(17) -0.04510(18) 0.81015(19) 0.0534(7) Uani 1 1 d .
C8 C 0.64117(16) -0.09647(19) 0.8625(2) 0.0578(8) Uani 1 1 d .
H8 H 0.5927 -0.1160 0.8528 0.069 Uiso 1 1 calc R
C9 C 0.66350(16) -0.11791(19) 0.9275(2) 0.0545(7) Uani 1 1 d .
H9 H 0.6306 -0.1513 0.9626 0.065 Uiso 1 1 calc R
C10 C 0.73713(15) -0.08860(16) 0.94019(17) 0.0443(6) Uani 1 1 d .
C11 C 0.7271(2) 0.0299(2) 0.6924(2) 0.0723(11) Uani 1 1 d .
H11 H 0.7147 0.0463 0.6476 0.087 Uiso 1 1 calc R
C12 C 0.6749(2) -0.0185(2) 0.7396(2) 0.0722(11) Uani 1 1 d .
H12 H 0.6275 -0.0350 0.7262 0.087 Uiso 1 1 calc R
C13 C 1.01225(15) 0.11797(15) 0.78477(17) 0.0433(6) Uani 1 1 d .
C14 C 0.76811(16) -0.10893(17) 1.00940(18) 0.0504(7) Uani 1 1 d .
O5 O 1.0000 0.0000 0.6160(13) 0.178(8) Uani 0.50 3 d SP
O1W O 0.6034(5) -0.1872(6) 1.1356(4) 0.144(3) Uani 0.50 1 d PU
O1W' O 0.5605(7) -0.2567(6) 1.1177(6) 0.171(4) Uani 0.50 1 d PU
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'
Fe Fe 0.3463 0.8444 '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
O1 Fe1 O3 156.93(8) 2_645 11_667
O1 Fe1 N1 97.46(8) 2_645 .
O3 Fe1 N1 100.72(8) 11_667 .
O1 Fe1 N2 99.44(8) 2_645 .
O3 Fe1 N2 99.29(8) 11_667 .
N1 Fe1 N2 73.34(9) . .
O1 Fe1 O1 86.03(10) 2_645 .
O3 Fe1 O1 87.30(7) 11_667 .
N1 Fe1 O1 69.11(8) . .
N2 Fe1 O1 142.45(8) . .
O1 Fe1 O3 87.49(7) 2_645 .
O3 Fe1 O3 86.79(2) 11_667 .
N1 Fe1 O3 142.21(8) . .
N2 Fe1 O3 68.89(8) . .
O1 Fe1 O3 148.66(7) . .
O1 Fe1 Cl1 78.55(5) 2_645 .
O3 Fe1 Cl1 78.38(5) 11_667 .
N1 Fe1 Cl1 143.49(7) . .
N2 Fe1 Cl1 143.15(6) . .
O1 Fe1 Cl1 74.40(5) . .
O3 Fe1 Cl1 74.26(5) . .
Fe1 Cl1 Fe1 90.086(12) 10_757 2_645
Fe1 Cl1 Fe1 180.0 10_757 .
Fe1 Cl1 Fe1 89.914(12) 2_645 .
Fe1 Cl1 Fe1 89.914(12) 10_757 11_667
Fe1 Cl1 Fe1 180.0 2_645 11_667
Fe1 Cl1 Fe1 90.086(12) . 11_667
Fe1 Cl1 Fe1 90.086(12) 10_757 3_765
Fe1 Cl1 Fe1 89.914(12) 2_645 3_765
Fe1 Cl1 Fe1 89.914(12) . 3_765
Fe1 Cl1 Fe1 90.086(12) 11_667 3_765
Fe1 Cl1 Fe1 89.914(12) 10_757 12_547
Fe1 Cl1 Fe1 90.086(12) 2_645 12_547
Fe1 Cl1 Fe1 90.086(12) . 12_547
Fe1 Cl1 Fe1 89.914(12) 11_667 12_547
Fe1 Cl1 Fe1 180.0 3_765 12_547
C13 O1 Fe1 124.45(17) . 3_765
C13 O1 Fe1 118.31(17) . .
Fe1 O1 Fe1 117.13(8) 3_765 .
C14 O3 Fe1 123.96(18) . 12_547
C14 O3 Fe1 118.67(18) . .
Fe1 O3 Fe1 117.27(9) 12_547 .
C1 N1 C5 118.7(2) . .
C1 N1 Fe1 123.82(19) . .
C5 N1 Fe1 117.40(19) . .
C10 N2 C6 118.3(2) . .
C10 N2 Fe1 123.97(19) . .
C6 N2 Fe1 117.76(19) . .
N1 C1 C2 121.8(3) . .
N1 C1 C13 114.6(2) . .
C2 C1 C13 123.6(3) . .
C3 C2 C1 119.8(3) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C2 C3 C4 119.7(3) . .
C2 C3 H3 120.1 . .
C4 C3 H3 120.1 . .
C3 C4 C5 116.7(3) . .
C3 C4 C11 125.8(3) . .
C5 C4 C11 117.5(3) . .
N1 C5 C4 123.3(3) . .
N1 C5 C6 116.2(2) . .
C4 C5 C6 120.5(3) . .
N2 C6 C7 124.0(3) . .
N2 C6 C5 115.3(2) . .
C7 C6 C5 120.8(3) . .
C6 C7 C8 116.1(3) . .
C6 C7 C12 117.8(3) . .
C8 C7 C12 126.1(3) . .
C9 C8 C7 120.4(3) . .
C9 C8 H8 119.8 . .
C7 C8 H8 119.8 . .
C8 C9 C10 118.8(3) . .
C8 C9 H9 120.6 . .
C10 C9 H9 120.6 . .
N2 C10 C9 122.4(3) . .
N2 C10 C14 114.1(2) . .
C9 C10 C14 123.5(3) . .
C12 C11 C4 122.0(3) . .
C12 C11 H11 119.0 . .
C4 C11 H11 119.0 . .
C11 C12 C7 121.3(3) . .
C11 C12 H12 119.3 . .
C7 C12 H12 119.3 . .
O2 C13 O1 126.9(3) . .
O2 C13 C1 119.0(3) . .
O1 C13 C1 114.0(2) . .
O4 C14 O3 126.2(3) . .
O4 C14 C10 119.6(3) . .
O3 C14 C10 114.2(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 O1 2.1057(19) 2_645
Fe1 O3 2.1078(19) 11_667
Fe1 N1 2.176(2) .
Fe1 N2 2.186(2) .
Fe1 O1 2.3713(19) .
Fe1 O3 2.3726(19) .
Fe1 Cl1 2.7048(4) .
Cl1 Fe1 2.7048(4) 10_757
Cl1 Fe1 2.7048(4) 2_645
Cl1 Fe1 2.7048(4) 11_667
Cl1 Fe1 2.7048(4) 3_765
Cl1 Fe1 2.7048(4) 12_547
O1 C13 1.292(3) .
O1 Fe1 2.1057(19) 3_765
O2 C13 1.229(4) .
O3 C14 1.282(4) .
O3 Fe1 2.1078(19) 12_547
O4 C14 1.222(4) .
N1 C1 1.325(4) .
N1 C5 1.359(4) .
N2 C10 1.323(4) .
N2 C6 1.354(4) .
C1 C2 1.403(4) .
C1 C13 1.506(4) .
C2 C3 1.378(5) .
C2 H2 0.9300 .
C3 C4 1.400(5) .
C3 H3 0.9300 .
C4 C5 1.411(4) .
C4 C11 1.429(5) .
C5 C6 1.427(4) .
C6 C7 1.398(4) .
C7 C8 1.408(5) .
C7 C12 1.439(5) .
C8 C9 1.369(5) .
C8 H8 0.9300 .
C9 C10 1.407(4) .
C9 H9 0.9300 .
C10 C14 1.517(4) .
C11 C12 1.351(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
O1W O1W' 1.350(13) .
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 Fe1 Cl1 Fe1 -171(100) 2_645 10_757
O3 Fe1 Cl1 Fe1 9(100) 11_667 10_757
N1 Fe1 Cl1 Fe1 102(100) . 10_757
N2 Fe1 Cl1 Fe1 -81(100) . 10_757
O1 Fe1 Cl1 Fe1 100(100) . 10_757
O3 Fe1 Cl1 Fe1 -80(100) . 10_757
O1 Fe1 Cl1 Fe1 -0.46(6) 2_645 2_645
O3 Fe1 Cl1 Fe1 -179.93(5) 11_667 2_645
N1 Fe1 Cl1 Fe1 -87.55(10) . 2_645
N2 Fe1 Cl1 Fe1 90.05(11) . 2_645
O1 Fe1 Cl1 Fe1 -89.50(5) . 2_645
O3 Fe1 Cl1 Fe1 90.15(5) . 2_645
O1 Fe1 Cl1 Fe1 179.54(6) 2_645 11_667
O3 Fe1 Cl1 Fe1 0.07(5) 11_667 11_667
N1 Fe1 Cl1 Fe1 92.45(10) . 11_667
N2 Fe1 Cl1 Fe1 -89.95(11) . 11_667
O1 Fe1 Cl1 Fe1 90.50(5) . 11_667
O3 Fe1 Cl1 Fe1 -89.85(5) . 11_667
O1 Fe1 Cl1 Fe1 89.45(5) 2_645 3_765
O3 Fe1 Cl1 Fe1 -90.01(6) 11_667 3_765
N1 Fe1 Cl1 Fe1 2.37(10) . 3_765
N2 Fe1 Cl1 Fe1 179.96(10) . 3_765
O1 Fe1 Cl1 Fe1 0.42(5) . 3_765
O3 Fe1 Cl1 Fe1 -179.94(5) . 3_765
O1 Fe1 Cl1 Fe1 -90.55(5) 2_645 12_547
O3 Fe1 Cl1 Fe1 89.99(6) 11_667 12_547
N1 Fe1 Cl1 Fe1 -177.63(10) . 12_547
N2 Fe1 Cl1 Fe1 -0.04(10) . 12_547
O1 Fe1 Cl1 Fe1 -179.58(5) . 12_547
O3 Fe1 Cl1 Fe1 0.06(5) . 12_547
O1 Fe1 O1 C13 96.57(19) 2_645 .
O3 Fe1 O1 C13 -105.5(2) 11_667 .
N1 Fe1 O1 C13 -2.97(19) . .
N2 Fe1 O1 C13 -3.8(3) . .
O3 Fe1 O1 C13 175.14(18) . .
Cl1 Fe1 O1 C13 175.8(2) . .
O1 Fe1 O1 Fe1 -79.81(11) 2_645 3_765
O3 Fe1 O1 Fe1 78.09(10) 11_667 3_765
N1 Fe1 O1 Fe1 -179.36(12) . 3_765
N2 Fe1 O1 Fe1 179.85(10) . 3_765
O3 Fe1 O1 Fe1 -1.25(19) . 3_765
Cl1 Fe1 O1 Fe1 -0.60(7) . 3_765
O1 Fe1 O3 C14 -104.8(2) 2_645 .
O3 Fe1 O3 C14 97.6(2) 11_667 .
N1 Fe1 O3 C14 -5.8(3) . .
N2 Fe1 O3 C14 -3.7(2) . .
O1 Fe1 O3 C14 177.1(2) . .
Cl1 Fe1 O3 C14 176.4(2) . .
O1 Fe1 O3 Fe1 78.72(10) 2_645 12_547
O3 Fe1 O3 Fe1 -78.92(8) 11_667 12_547
N1 Fe1 O3 Fe1 177.67(10) . 12_547
N2 Fe1 O3 Fe1 179.84(12) . 12_547
O1 Fe1 O3 Fe1 0.56(18) . 12_547
Cl1 Fe1 O3 Fe1 -0.09(7) . 12_547
O1 Fe1 N1 C1 -80.5(2) 2_645 .
O3 Fe1 N1 C1 85.2(2) 11_667 .
N2 Fe1 N1 C1 -178.2(2) . .
O1 Fe1 N1 C1 2.3(2) . .
O3 Fe1 N1 C1 -176.09(19) . .
Cl1 Fe1 N1 C1 0.3(3) . .
O1 Fe1 N1 C5 96.4(2) 2_645 .
O3 Fe1 N1 C5 -97.8(2) 11_667 .
N2 Fe1 N1 C5 -1.3(2) . .
O1 Fe1 N1 C5 179.2(2) . .
O3 Fe1 N1 C5 0.9(3) . .
Cl1 Fe1 N1 C5 177.23(15) . .
O1 Fe1 N2 C10 84.4(2) 2_645 .
O3 Fe1 N2 C10 -82.1(2) 11_667 .
N1 Fe1 N2 C10 179.4(2) . .
O1 Fe1 N2 C10 -179.81(19) . .
O3 Fe1 N2 C10 0.8(2) . .
Cl1 Fe1 N2 C10 0.9(3) . .
O1 Fe1 N2 C6 -94.0(2) 2_645 .
O3 Fe1 N2 C6 99.5(2) 11_667 .
N1 Fe1 N2 C6 1.04(19) . .
O1 Fe1 N2 C6 1.8(3) . .
O3 Fe1 N2 C6 -177.6(2) . .
Cl1 Fe1 N2 C6 -177.47(15) . .
C5 N1 C1 C2 0.4(4) . .
Fe1 N1 C1 C2 177.3(2) . .
C5 N1 C1 C13 -178.4(3) . .
Fe1 N1 C1 C13 -1.5(4) . .
N1 C1 C2 C3 -1.3(5) . .
C13 C1 C2 C3 177.4(3) . .
C1 C2 C3 C4 1.8(6) . .
C2 C3 C4 C5 -1.4(6) . .
C2 C3 C4 C11 179.3(4) . .
C1 N1 C5 C4 0.0(4) . .
Fe1 N1 C5 C4 -177.1(2) . .
C1 N1 C5 C6 178.4(3) . .
Fe1 N1 C5 C6 1.3(3) . .
C3 C4 C5 N1 0.5(5) . .
C11 C4 C5 N1 179.8(3) . .
C3 C4 C5 C6 -177.9(3) . .
C11 C4 C5 C6 1.5(5) . .
C10 N2 C6 C7 -0.5(4) . .
Fe1 N2 C6 C7 178.0(2) . .
C10 N2 C6 C5 -179.2(3) . .
Fe1 N2 C6 C5 -0.7(3) . .
N1 C5 C6 N2 -0.4(4) . .
C4 C5 C6 N2 178.0(3) . .
N1 C5 C6 C7 -179.2(3) . .
C4 C5 C6 C7 -0.7(5) . .
N2 C6 C7 C8 0.1(5) . .
C5 C6 C7 C8 178.8(3) . .
N2 C6 C7 C12 -178.7(3) . .
C5 C6 C7 C12 -0.1(5) . .
C6 C7 C8 C9 0.7(5) . .
C12 C7 C8 C9 179.4(4) . .
C7 C8 C9 C10 -1.1(5) . .
C6 N2 C10 C9 0.1(4) . .
Fe1 N2 C10 C9 -178.3(2) . .
C6 N2 C10 C14 179.9(2) . .
Fe1 N2 C10 C14 1.6(3) . .
C8 C9 C10 N2 0.7(5) . .
C8 C9 C10 C14 -179.2(3) . .
C3 C4 C11 C12 177.8(4) . .
C5 C4 C11 C12 -1.5(6) . .
C4 C11 C12 C7 0.7(7) . .
C6 C7 C12 C11 0.1(6) . .
C8 C7 C12 C11 -178.6(4) . .
Fe1 O1 C13 O2 0.1(4) 3_765 .
Fe1 O1 C13 O2 -176.0(3) . .
Fe1 O1 C13 C1 179.29(18) 3_765 .
Fe1 O1 C13 C1 3.2(3) . .
N1 C1 C13 O2 178.0(3) . .
C2 C1 C13 O2 -0.8(5) . .
N1 C1 C13 O1 -1.3(4) . .
C2 C1 C13 O1 179.9(3) . .
Fe1 O3 C14 O4 1.8(5) 12_547 .
Fe1 O3 C14 O4 -174.5(3) . .
Fe1 O3 C14 C10 -178.22(18) 12_547 .
Fe1 O3 C14 C10 5.5(3) . .
N2 C10 C14 O4 175.3(3) . .
C9 C10 C14 O4 -4.8(5) . .
N2 C10 C14 O3 -4.7(4) . .
C9 C10 C14 O3 175.2(3) . .
