#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:11:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179366 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/63/4326310.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_4326310
loop_
_publ_author_name
'Pieter C. A. Bruijnincx'
'Inge L. C. Buurmans'
'Yuxing Huang'
'Gergely Juhász'
'Marta Viciano-Chumillas'
'Manuel Quesada'
'Jan Reedijk'
'Martin Lutz'
'Anthony L. Spek'
'Eckard Münck'
'Emile L. Bominaar'
'Robertus J. M. Klein Gebbink'
_publ_contact_author_address
; Bijvoet Center for Biomolecular Research
  Crystal and Structural Chemistry
  Utrecht University
  Padualaan 8
  3584 CH Utrecht
  The Netherlands
;
_publ_contact_author_email       m.lutz@uu.nl
_publ_contact_author_fax         '[+31] 30 2533940'
_publ_contact_author_name        'Martin Lutz'
_publ_contact_author_phone       '[+31] 30 2533902'
_publ_section_title
;
 Mono- and Dinuclear Iron Complexes of Bis(1-methylimidazol-2-yl)ketone
 (bik): Structure, Magnetic Properties, and Catalytic Oxidation Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9243
_journal_page_last               9255
_journal_paper_doi               10.1021/ic200332y
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C36 H42 Fe2 N16 O6, 4(N O3), 2(H2 O)'
_chemical_formula_sum            'C36 H46 Fe2 N20 O20'
_chemical_formula_weight         1190.63
_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                 92.0710(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.5604(10)
_cell_length_b                   14.6757(10)
_cell_length_c                   13.9671(10)
_cell_measurement_reflns_used    85
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      19.870
_cell_measurement_theta_min      3.327
_cell_volume                     4826.2(5)
_computing_cell_refinement       DIRAX
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        'EvalCCD and TWINABS'
_computing_molecular_graphics    PLATON
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0251
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4782
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.702
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   TWINABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_description       block
_exptl_crystal_F_000             2456
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         4782
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0677
_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)+(0.0254P)²+22.2124P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                3900
_reflns_number_total             4782
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic200332y_si_002_2.cif
_cod_data_source_block           s3241a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4326310
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
Fe1 Fe 0.434895(18) 0.25982(3) 0.25317(3) 0.01516(11) Uani 1 1 d .
O1 O 0.36871(12) 0.01267(17) 0.4447(2) 0.0440(7) Uani 1 1 d .
O2 O 0.37481(12) 0.51040(17) 0.05687(19) 0.0417(7) Uani 1 1 d .
O3 O 0.50308(8) 0.26014(14) 0.33546(14) 0.0169(4) Uani 1 1 d D
H3A H 0.5069(16) 0.266(3) 0.3933(14) 0.039(11) Uiso 1 1 d D
N1 N 0.37565(10) 0.24455(17) 0.36423(18) 0.0197(5) Uani 1 1 d .
N2 N 0.33399(11) 0.18972(19) 0.49136(19) 0.0234(6) Uani 1 1 d .
N3 N 0.42748(10) 0.11799(16) 0.23985(18) 0.0172(5) Uani 1 1 d .
N4 N 0.41630(11) -0.02872(17) 0.2670(2) 0.0219(6) Uani 1 1 d .
N5 N 0.37428(10) 0.27822(16) 0.13768(18) 0.0187(5) Uani 1 1 d .
N6 N 0.33011(11) 0.33643(18) 0.00920(19) 0.0235(6) Uani 1 1 d .
N7 N 0.42912(11) 0.40258(16) 0.26901(18) 0.0201(6) Uani 1 1 d .
N8 N 0.41448(12) 0.54952(17) 0.2474(2) 0.0269(6) Uani 1 1 d .
C1 C 0.37993(13) 0.0745(2) 0.3912(2) 0.0236(7) Uani 1 1 d .
C2 C 0.36457(12) 0.1688(2) 0.4143(2) 0.0202(7) Uani 1 1 d .
C3 C 0.32489(14) 0.2813(2) 0.4901(2) 0.0281(8) Uani 1 1 d .
H3 H 0.3046 0.3154 0.5354 0.034 Uiso 1 1 calc R
C4 C 0.35031(14) 0.3146(2) 0.4119(3) 0.0282(8) Uani 1 1 d .
H4 H 0.3505 0.3767 0.3930 0.034 Uiso 1 1 calc R
C5 C 0.31222(16) 0.1276(3) 0.5644(3) 0.0365(9) Uani 1 1 d .
H5A H 0.2843 0.0861 0.5343 0.055 Uiso 1 1 calc R
H5B H 0.2942 0.1631 0.6143 0.055 Uiso 1 1 calc R
H5C H 0.3437 0.0922 0.5930 0.055 Uiso 1 1 calc R
C6 C 0.40780(13) 0.0563(2) 0.3005(2) 0.0200(7) Uani 1 1 d .
C7 C 0.44913(13) 0.0694(2) 0.1653(2) 0.0201(7) Uani 1 1 d .
H7 H 0.4662 0.0949 0.1109 0.024 Uiso 1 1 calc R
C8 C 0.44211(13) -0.0207(2) 0.1819(2) 0.0241(7) Uani 1 1 d .
H8 H 0.4532 -0.0693 0.1416 0.029 Uiso 1 1 calc R
C9 C 0.39878(16) -0.1161(2) 0.3079(3) 0.0354(9) Uani 1 1 d .
H9A H 0.4121 -0.1196 0.3751 0.053 Uiso 1 1 calc R
H9B H 0.4153 -0.1663 0.2718 0.053 Uiso 1 1 calc R
H9C H 0.3573 -0.1208 0.3039 0.053 Uiso 1 1 calc R
C10 C 0.38024(13) 0.4484(2) 0.1142(2) 0.0242(7) Uani 1 1 d .
C11 C 0.36181(13) 0.3553(2) 0.0896(2) 0.0208(7) Uani 1 1 d .
C12 C 0.34918(14) 0.2093(2) 0.0850(2) 0.0252(7) Uani 1 1 d .
H12 H 0.3505 0.1465 0.1014 0.030 Uiso 1 1 calc R
C13 C 0.32217(13) 0.2446(2) 0.0061(2) 0.0249(7) Uani 1 1 d .
H13 H 0.3016 0.2115 -0.0422 0.030 Uiso 1 1 calc R
C14 C 0.30289(16) 0.4005(3) -0.0595(3) 0.0363(9) Uani 1 1 d .
H14A H 0.2800 0.4444 -0.0249 0.054 Uiso 1 1 calc R
H14B H 0.2784 0.3666 -0.1052 0.054 Uiso 1 1 calc R
H14C H 0.3322 0.4329 -0.0941 0.054 Uiso 1 1 calc R
C15 C 0.40651(13) 0.4651(2) 0.2098(2) 0.0205(7) Uani 1 1 d .
C16 C 0.45272(14) 0.4493(2) 0.3457(2) 0.0245(7) Uani 1 1 d .
H16 H 0.4723 0.4226 0.3993 0.029 Uiso 1 1 calc R
C17 C 0.44350(14) 0.5402(2) 0.3324(3) 0.0273(7) Uani 1 1 d .
H17 H 0.4552 0.5879 0.3747 0.033 Uiso 1 1 calc R
C18 C 0.39296(18) 0.6367(2) 0.2101(3) 0.0481(11) Uani 1 1 d .
H18A H 0.4004 0.6846 0.2578 0.072 Uiso 1 1 calc R
H18B H 0.3520 0.6320 0.1964 0.072 Uiso 1 1 calc R
H18C H 0.4121 0.6519 0.1510 0.072 Uiso 1 1 calc R
O4 O 0.22297(17) -0.0342(3) 0.2909(4) 0.1095(18) Uani 1 1 d .
O5 O 0.24976(15) 0.1035(3) 0.3249(3) 0.0737(11) Uani 1 1 d .
O6 O 0.28932(14) 0.0260(2) 0.2188(2) 0.0630(9) Uani 1 1 d .
N9 N 0.25424(14) 0.0301(3) 0.2810(3) 0.0436(8) Uani 1 1 d .
O7 O 0.02013(12) 0.33567(18) 0.47846(18) 0.0432(7) Uani 1 1 d .
O8 O -0.01984(12) 0.20328(17) 0.48185(17) 0.0410(7) Uani 1 1 d .
O9 O 0.00638(13) 0.25854(19) 0.34839(17) 0.0487(7) Uani 1 1 d .
N10 N 0.00297(12) 0.26633(19) 0.43555(18) 0.0260(6) Uani 1 1 d .
O10 O 0.23425(14) 0.2805(3) 0.2163(3) 0.0553(9) Uani 1 1 d D
H10A H 0.248(2) 0.240(3) 0.256(3) 0.09(2) Uiso 1 1 d D
H10B H 0.2478(19) 0.3342(18) 0.212(3) 0.056(16) Uiso 1 1 d D
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'
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'
O O 0.0106 0.0060 '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
O3 Fe1 O3 75.68(9) . 2_655
O3 Fe1 N3 96.86(9) . .
O3 Fe1 N3 90.46(9) 2_655 .
O3 Fe1 N7 89.46(9) . .
O3 Fe1 N7 96.70(9) 2_655 .
N3 Fe1 N7 171.44(10) . .
O3 Fe1 N5 164.75(9) . .
O3 Fe1 N5 90.93(9) 2_655 .
N3 Fe1 N5 90.42(9) . .
N7 Fe1 N5 84.82(10) . .
O3 Fe1 N1 96.82(9) . .
O3 Fe1 N1 170.50(9) 2_655 .
N3 Fe1 N1 84.59(10) . .
N7 Fe1 N1 88.95(10) . .
N5 Fe1 N1 97.20(10) . .
Fe1 O3 Fe1 104.32(9) . 2_655
Fe1 O3 H3A 130(3) . .
Fe1 O3 H3A 125(3) 2_655 .
C2 N1 C4 105.7(3) . .
C2 N1 Fe1 127.5(2) . .
C4 N1 Fe1 125.5(2) . .
C2 N2 C3 107.6(3) . .
C2 N2 C5 128.3(3) . .
C3 N2 C5 124.2(3) . .
C6 N3 C7 106.0(2) . .
C6 N3 Fe1 130.3(2) . .
C7 N3 Fe1 123.4(2) . .
C6 N4 C8 107.5(3) . .
C6 N4 C9 128.6(3) . .
C8 N4 C9 123.8(3) . .
C11 N5 C12 105.7(3) . .
C11 N5 Fe1 127.8(2) . .
C12 N5 Fe1 125.2(2) . .
C11 N6 C13 107.5(3) . .
C11 N6 C14 128.5(3) . .
C13 N6 C14 123.7(3) . .
C15 N7 C16 106.3(3) . .
C15 N7 Fe1 130.1(2) . .
C16 N7 Fe1 123.5(2) . .
C15 N8 C17 107.8(3) . .
C15 N8 C18 128.3(3) . .
C17 N8 C18 123.8(3) . .
O1 C1 C2 120.6(3) . .
O1 C1 C6 120.6(3) . .
C2 C1 C6 118.7(3) . .
N1 C2 N2 110.2(3) . .
N1 C2 C1 127.7(3) . .
N2 C2 C1 122.0(3) . .
C4 C3 N2 107.0(3) . .
C4 C3 H3 126.5 . .
N2 C3 H3 126.5 . .
C3 C4 N1 109.5(3) . .
C3 C4 H4 125.3 . .
N1 C4 H4 125.3 . .
N2 C5 H5A 109.5 . .
N2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
N3 C6 N4 110.3(3) . .
N3 C6 C1 126.8(3) . .
N4 C6 C1 122.9(3) . .
C8 C7 N3 109.0(3) . .
C8 C7 H7 125.5 . .
N3 C7 H7 125.5 . .
C7 C8 N4 107.2(3) . .
C7 C8 H8 126.4 . .
N4 C8 H8 126.4 . .
N4 C9 H9A 109.5 . .
N4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O2 C10 C11 121.2(3) . .
O2 C10 C15 120.3(3) . .
C11 C10 C15 118.5(3) . .
N5 C11 N6 110.2(3) . .
N5 C11 C10 127.5(3) . .
N6 C11 C10 122.2(3) . .
C13 C12 N5 109.5(3) . .
C13 C12 H12 125.2 . .
N5 C12 H12 125.2 . .
C12 C13 N6 107.0(3) . .
C12 C13 H13 126.5 . .
N6 C13 H13 126.5 . .
N6 C14 H14A 109.5 . .
N6 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N6 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N7 C15 N8 110.0(3) . .
N7 C15 C10 126.4(3) . .
N8 C15 C10 123.4(3) . .
C17 C16 N7 109.0(3) . .
C17 C16 H16 125.5 . .
N7 C16 H16 125.5 . .
N8 C17 C16 106.8(3) . .
N8 C17 H17 126.6 . .
C16 C17 H17 126.6 . .
N8 C18 H18A 109.5 . .
N8 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N8 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O4 N9 O6 118.3(4) . .
O4 N9 O5 123.9(4) . .
O6 N9 O5 117.6(4) . .
O9 N10 O7 121.5(3) . .
O9 N10 O8 119.0(3) . .
O7 N10 O8 119.5(3) . .
H10A O10 H10B 123(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 O3 1.941(2) .
Fe1 O3 1.949(2) 2_655
Fe1 N3 2.096(2) .
Fe1 N7 2.112(2) .
Fe1 N5 2.133(2) .
Fe1 N1 2.136(2) .
O1 C1 1.211(4) .
O2 C10 1.216(4) .
O3 Fe1 1.949(2) 2_655
O3 H3A 0.815(19) .
N1 C2 1.343(4) .
N1 C4 1.372(4) .
N2 C2 1.352(4) .
N2 C3 1.361(4) .
N2 C5 1.474(4) .
N3 C6 1.335(4) .
N3 C7 1.376(4) .
N4 C6 1.350(4) .
N4 C8 1.359(4) .
N4 C9 1.470(4) .
N5 C11 1.343(4) .
N5 C12 1.372(4) .
N6 C11 1.355(4) .
N6 C13 1.361(4) .
N6 C14 1.473(4) .
N7 C15 1.333(4) .
N7 C16 1.372(4) .
N8 C15 1.356(4) .
N8 C17 1.356(4) .
N8 C18 1.465(4) .
C1 C2 1.470(4) .
C1 C6 1.472(4) .
C3 C4 1.356(5) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C7 C8 1.354(4) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C11 1.470(4) .
C10 C15 1.472(4) .
C12 C13 1.356(5) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C16 C17 1.363(4) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
O4 N9 1.208(5) .
O5 N9 1.246(5) .
O6 N9 1.222(4) .
O7 N10 1.241(4) .
O8 N10 1.260(4) .
O9 N10 1.228(3) .
O10 H10A 0.86(2) .
O10 H10B 0.853(19) .
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
O3 Fe1 O3 Fe1 -0.29(13) 2_655 2_655
N3 Fe1 O3 Fe1 88.44(11) . 2_655
N7 Fe1 O3 Fe1 -97.34(10) . 2_655
N5 Fe1 O3 Fe1 -29.5(4) . 2_655
N1 Fe1 O3 Fe1 173.78(10) . 2_655
O3 Fe1 N1 C2 -74.8(3) . .
N3 Fe1 N1 C2 21.5(3) . .
N7 Fe1 N1 C2 -164.2(3) . .
N5 Fe1 N1 C2 111.2(3) . .
O3 Fe1 N1 C4 90.5(3) . .
N3 Fe1 N1 C4 -173.2(3) . .
N7 Fe1 N1 C4 1.2(3) . .
N5 Fe1 N1 C4 -83.5(3) . .
O3 Fe1 N3 C6 78.4(3) . .
O3 Fe1 N3 C6 154.0(3) 2_655 .
N5 Fe1 N3 C6 -115.1(3) . .
N1 Fe1 N3 C6 -17.9(3) . .
O3 Fe1 N3 C7 -94.3(2) . .
O3 Fe1 N3 C7 -18.7(2) 2_655 .
N5 Fe1 N3 C7 72.3(2) . .
N1 Fe1 N3 C7 169.4(2) . .
O3 Fe1 N5 C11 -49.0(5) . .
O3 Fe1 N5 C11 -77.3(3) 2_655 .
N3 Fe1 N5 C11 -167.7(3) . .
N7 Fe1 N5 C11 19.4(3) . .
N1 Fe1 N5 C11 107.7(3) . .
O3 Fe1 N5 C12 116.2(4) . .
O3 Fe1 N5 C12 87.9(3) 2_655 .
N3 Fe1 N5 C12 -2.5(3) . .
N7 Fe1 N5 C12 -175.4(3) . .
N1 Fe1 N5 C12 -87.1(3) . .
O3 Fe1 N7 C15 151.9(3) . .
O3 Fe1 N7 C15 76.4(3) 2_655 .
N5 Fe1 N7 C15 -13.9(3) . .
N1 Fe1 N7 C15 -111.2(3) . .
O3 Fe1 N7 C16 -24.1(2) . .
O3 Fe1 N7 C16 -99.6(2) 2_655 .
N5 Fe1 N7 C16 170.1(3) . .
N1 Fe1 N7 C16 72.7(2) . .
C4 N1 C2 N2 -0.7(3) . .
Fe1 N1 C2 N2 166.9(2) . .
C4 N1 C2 C1 176.9(3) . .
Fe1 N1 C2 C1 -15.4(5) . .
C3 N2 C2 N1 0.5(4) . .
C5 N2 C2 N1 179.2(3) . .
C3 N2 C2 C1 -177.3(3) . .
C5 N2 C2 C1 1.4(5) . .
O1 C1 C2 N1 177.6(3) . .
C6 C1 C2 N1 -4.0(5) . .
O1 C1 C2 N2 -5.0(5) . .
C6 C1 C2 N2 173.4(3) . .
C2 N2 C3 C4 -0.1(4) . .
C5 N2 C3 C4 -178.8(3) . .
N2 C3 C4 N1 -0.4(4) . .
C2 N1 C4 C3 0.7(4) . .
Fe1 N1 C4 C3 -167.3(2) . .
C7 N3 C6 N4 0.0(3) . .
Fe1 N3 C6 N4 -173.6(2) . .
C7 N3 C6 C1 -179.3(3) . .
Fe1 N3 C6 C1 7.1(5) . .
C8 N4 C6 N3 -0.2(4) . .
C9 N4 C6 N3 -176.5(3) . .
C8 N4 C6 C1 179.2(3) . .
C9 N4 C6 C1 2.8(5) . .
O1 C1 C6 N3 -172.9(3) . .
C2 C1 C6 N3 8.7(5) . .
O1 C1 C6 N4 7.8(5) . .
C2 C1 C6 N4 -170.5(3) . .
C6 N3 C7 C8 0.1(3) . .
Fe1 N3 C7 C8 174.3(2) . .
N3 C7 C8 N4 -0.2(4) . .
C6 N4 C8 C7 0.3(4) . .
C9 N4 C8 C7 176.8(3) . .
C12 N5 C11 N6 -0.2(3) . .
Fe1 N5 C11 N6 167.3(2) . .
C12 N5 C11 C10 -177.9(3) . .
Fe1 N5 C11 C10 -10.4(5) . .
C13 N6 C11 N5 0.0(4) . .
C14 N6 C11 N5 174.0(3) . .
C13 N6 C11 C10 177.9(3) . .
C14 N6 C11 C10 -8.2(5) . .
O2 C10 C11 N5 166.7(3) . .
C15 C10 C11 N5 -12.2(5) . .
O2 C10 C11 N6 -10.7(5) . .
C15 C10 C11 N6 170.3(3) . .
C11 N5 C12 C13 0.2(4) . .
Fe1 N5 C12 C13 -167.7(2) . .
N5 C12 C13 N6 -0.2(4) . .
C11 N6 C13 C12 0.1(4) . .
C14 N6 C13 C12 -174.2(3) . .
C16 N7 C15 N8 -0.8(3) . .
Fe1 N7 C15 N8 -177.3(2) . .
C16 N7 C15 C10 175.0(3) . .
Fe1 N7 C15 C10 -1.6(5) . .
C17 N8 C15 N7 0.6(4) . .
C18 N8 C15 N7 -175.0(3) . .
C17 N8 C15 C10 -175.3(3) . .
C18 N8 C15 C10 9.1(5) . .
O2 C10 C15 N7 -160.3(3) . .
C11 C10 C15 N7 18.7(5) . .
O2 C10 C15 N8 14.9(5) . .
C11 C10 C15 N8 -166.2(3) . .
C15 N7 C16 C17 0.7(4) . .
Fe1 N7 C16 C17 177.5(2) . .
C15 N8 C17 C16 -0.2(4) . .
C18 N8 C17 C16 175.7(3) . .
N7 C16 C17 N8 -0.3(4) . .
