#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:13:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180129 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/27/7102747.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_7102747
loop_
_publ_author_name
'Nakano, Keisaku'
'Kawata, Satoshi'
'Yoneda, Ko'
'Fuyuhiro, Akira'
'Yagi, Takashi'
'Nasu, Saburo'
'Morimoto, Syotaro'
'Kaizaki, Sumio'
_publ_section_title
;
 Direct two-step spin-crossover through [HS-HS]...[LS-LS] at the
 plateau in dinuclear diiron(II) complex
 [{Fe(NCBH3)(4phpy)}2(mu-bpypz)2].
;
_journal_issue                   24
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2892
_journal_page_last               2893
_journal_paper_doi               10.1039/b411190g
_journal_year                    2004
_chemical_formula_sum            'C50 H42 B2 Fe2 N12'
_chemical_formula_weight         944.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                93.521(8)
_cell_angle_beta                 109.122(12)
_cell_angle_gamma                104.560(8)
_cell_formula_units_Z            1
_cell_length_a                   9.0589(3)
_cell_length_b                   10.6824(11)
_cell_length_c                   12.6458(8)
_cell_measurement_reflns_used    8549
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.7
_cell_volume                     1105.17(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.852
_diffrn_measured_fraction_theta_max 0.852
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6771
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.708
_exptl_absorpt_correction_T_max  0.868
_exptl_absorpt_correction_T_min  0.625
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.565
_refine_diff_density_min         -0.763
_refine_diff_density_rms         0.212
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4314
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0574
_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)+(0.1326P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.1745
_reflns_number_gt                3442
_reflns_number_total             4314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b411190g.txt
_cod_data_source_block           compound_2
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               7102747
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
Fe1 Fe 1.00440(5) 0.31616(4) 0.45603(4) 0.02352(18) Uani 1 1 d
N1 N 1.2040(3) 0.2491(3) 0.5042(2) 0.0255(6) Uani 1 1 d
N2 N 1.1672(3) 0.4749(3) 0.5434(2) 0.0239(5) Uani 1 1 d
N3 N 1.1647(3) 0.5983(3) 0.5709(2) 0.0227(5) Uani 1 1 d
N4 N 1.1905(4) 0.8322(3) 0.6496(2) 0.0283(6) Uani 1 1 d
N5 N 0.9612(3) 0.2459(3) 0.5858(2) 0.0274(6) Uani 1 1 d
N6 N 1.0545(3) 0.3640(3) 0.3199(2) 0.0244(5) Uani 1 1 d
C1 C 1.2145(5) 0.1262(3) 0.4913(3) 0.0312(7) Uani 1 1 d
C2 C 1.3591(5) 0.0943(4) 0.5265(3) 0.0362(8) Uani 1 1 d
C3 C 1.5029(5) 0.1918(4) 0.5810(3) 0.0350(8) Uani 1 1 d
C4 C 1.4946(4) 0.3198(4) 0.5987(3) 0.0304(7) Uani 1 1 d
C5 C 1.3460(4) 0.3449(3) 0.5602(3) 0.0276(7) Uani 1 1 d
C6 C 1.3251(4) 0.4736(3) 0.5799(3) 0.0257(6) Uani 1 1 d
C7 C 1.4263(4) 0.5966(3) 0.6316(3) 0.0269(7) Uani 1 1 d
C8 C 1.3208(4) 0.6724(3) 0.6252(3) 0.0272(7) Uani 1 1 d
C9 C 1.3347(4) 0.8040(3) 0.6726(3) 0.0275(7) Uani 1 1 d
C10 C 1.4823(5) 0.8898(4) 0.7432(3) 0.0330(7) Uani 1 1 d
C11 C 1.4832(5) 1.0062(4) 0.7973(3) 0.0379(9) Uani 1 1 d
C12 C 1.3368(5) 1.0332(4) 0.7785(3) 0.0365(8) Uani 1 1 d
C13 C 1.1954(5) 0.9463(3) 0.7036(3) 0.0334(8) Uani 1 1 d
C14 C 0.9428(4) 0.1937(3) 0.6595(3) 0.0282(7) Uani 1 1 d
C15 C 1.0989(4) 0.2835(3) 0.2576(3) 0.0273(7) Uani 1 1 d
C16 C 1.1488(4) 0.3193(3) 0.1689(3) 0.0294(7) Uani 1 1 d
C17 C 1.1558(4) 0.4440(3) 0.1404(3) 0.0258(7) Uani 1 1 d
C18 C 1.1012(4) 0.5236(3) 0.2012(3) 0.0271(7) Uani 1 1 d
C19 C 1.0528(4) 0.4821(3) 0.2877(3) 0.0268(7) Uani 1 1 d
C20 C 1.2214(4) 0.4903(4) 0.0523(3) 0.0302(7) Uani 1 1 d
C21 C 1.2321(5) 0.4026(4) -0.0292(3) 0.0351(8) Uani 1 1 d
C22 C 1.2947(5) 0.4462(5) -0.1093(3) 0.0424(9) Uani 1 1 d
C23 C 1.3508(5) 0.5796(5) -0.1095(3) 0.0432(9) Uani 1 1 d
C24 C 1.3398(6) 0.6669(5) -0.0307(4) 0.0455(10) Uani 1 1 d
C25 C 1.2746(5) 0.6238(4) 0.0500(3) 0.0376(8) Uani 1 1 d
B1 B 0.9177(6) 0.1196(4) 0.7604(4) 0.0367(9) Uani 1 1 d
H1 H 1.108(5) 0.056(4) 0.449(4) 0.038 Uiso 1 1 d
H2 H 1.344(5) -0.004(4) 0.515(4) 0.038 Uiso 1 1 d
H3 H 1.597(5) 0.169(4) 0.612(4) 0.038 Uiso 1 1 d
H4 H 1.583(5) 0.393(4) 0.636(4) 0.038 Uiso 1 1 d
H5 H 1.562(5) 0.621(4) 0.671(4) 0.038 Uiso 1 1 d
H6 H 1.577(5) 0.873(4) 0.752(4) 0.038 Uiso 1 1 d
H7 H 1.585(5) 1.057(4) 0.849(4) 0.038 Uiso 1 1 d
H8 H 1.337(5) 1.102(4) 0.814(4) 0.038 Uiso 1 1 d
H9 H 1.097(6) 0.966(4) 0.684(4) 0.038 Uiso 1 1 d
H10 H 0.832(5) 0.005(4) 0.725(4) 0.038 Uiso 1 1 d
H11 H 0.866(5) 0.189(4) 0.810(4) 0.038 Uiso 1 1 d
H12 H 1.052(5) 0.116(4) 0.827(4) 0.038 Uiso 1 1 d
H13 H 1.096(5) 0.197(4) 0.275(4) 0.038 Uiso 1 1 d
H14 H 1.179(5) 0.245(4) 0.127(4) 0.038 Uiso 1 1 d
H15 H 1.100(5) 0.603(4) 0.181(4) 0.038 Uiso 1 1 d
H16 H 1.013(5) 0.541(4) 0.333(4) 0.038 Uiso 1 1 d
H17 H 1.199(5) 0.306(4) -0.030(4) 0.038 Uiso 1 1 d
H18 H 1.314(5) 0.387(4) -0.170(4) 0.038 Uiso 1 1 d
H19 H 1.389(5) 0.605(4) -0.161(4) 0.038 Uiso 1 1 d
H20 H 1.369(5) 0.746(4) -0.028(4) 0.038 Uiso 1 1 d
H21 H 1.268(5) 0.685(4) 0.102(4) 0.038 Uiso 1 1 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'
N N 0.0061 0.0033 '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'
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
N3 Fe1 N2 91.22(11) 2_766 .
N3 Fe1 N5 92.61(11) 2_766 .
N2 Fe1 N5 95.53(11) . .
N3 Fe1 N6 93.87(11) 2_766 .
N2 Fe1 N6 89.06(11) . .
N5 Fe1 N6 171.98(11) . .
N3 Fe1 N1 171.17(11) 2_766 .
N2 Fe1 N1 80.37(11) . .
N5 Fe1 N1 85.59(11) . .
N6 Fe1 N1 88.71(11) . .
N3 Fe1 N4 80.04(11) 2_766 2_766
N2 Fe1 N4 170.38(11) . 2_766
N5 Fe1 N4 88.92(11) . 2_766
N6 Fe1 N4 87.55(11) . 2_766
N1 Fe1 N4 108.53(11) . 2_766
C1 N1 C5 116.7(3) . .
C1 N1 Fe1 129.7(2) . .
C5 N1 Fe1 113.6(2) . .
N3 N2 C6 107.9(3) . .
N3 N2 Fe1 134.4(2) . .
C6 N2 Fe1 117.4(2) . .
N2 N3 C8 107.8(3) . .
N2 N3 Fe1 134.3(2) . 2_766
C8 N3 Fe1 117.9(2) . 2_766
C13 N4 C9 116.5(3) . .
C13 N4 Fe1 130.4(3) . 2_766
C9 N4 Fe1 113.0(2) . 2_766
C14 N5 Fe1 172.4(3) . .
C15 N6 C19 116.5(3) . .
C15 N6 Fe1 122.1(2) . .
C19 N6 Fe1 121.3(2) . .
N1 C1 C2 123.8(3) . .
N1 C1 H1 116(2) . .
C2 C1 H1 120(2) . .
C1 C2 C3 119.2(3) . .
C1 C2 H2 114(2) . .
C3 C2 H2 127(2) . .
C2 C3 C4 118.0(3) . .
C2 C3 H3 119(3) . .
C4 C3 H3 123(3) . .
C5 C4 C3 119.6(3) . .
C5 C4 H4 115(3) . .
C3 C4 H4 125(3) . .
N1 C5 C4 122.6(3) . .
N1 C5 C6 114.1(3) . .
C4 C5 C6 123.3(3) . .
N2 C6 C7 110.2(3) . .
N2 C6 C5 113.9(3) . .
C7 C6 C5 135.9(3) . .
C6 C7 C8 104.2(3) . .
C6 C7 H5 124(2) . .
C8 C7 H5 132(2) . .
N3 C8 C7 110.0(3) . .
N3 C8 C9 113.4(3) . .
C7 C8 C9 136.0(3) . .
N4 C9 C10 122.8(3) . .
N4 C9 C8 114.6(3) . .
C10 C9 C8 122.4(3) . .
C11 C10 C9 119.2(4) . .
C11 C10 H6 119(3) . .
C9 C10 H6 122(3) . .
C12 C11 C10 118.5(3) . .
C12 C11 H7 125(3) . .
C10 C11 H7 116(3) . .
C11 C12 C13 119.4(4) . .
C11 C12 H8 118(3) . .
C13 C12 H8 122(3) . .
N4 C13 C12 123.5(4) . .
N4 C13 H9 115(3) . .
C12 C13 H9 121(3) . .
N5 C14 B1 179.2(3) . .
N6 C15 C16 123.2(3) . .
N6 C15 H13 119(3) . .
C16 C15 H13 118(3) . .
C15 C16 C17 120.1(3) . .
C15 C16 H14 115(2) . .
C17 C16 H14 125(2) . .
C16 C17 C18 116.2(3) . .
C16 C17 C20 121.8(3) . .
C18 C17 C20 122.0(3) . .
C19 C18 C17 120.7(3) . .
C19 C18 H15 122(3) . .
C17 C18 H15 117(3) . .
N6 C19 C18 123.2(3) . .
N6 C19 H16 116(2) . .
C18 C19 H16 121(2) . .
C25 C20 C21 118.6(3) . .
C25 C20 C17 120.0(3) . .
C21 C20 C17 121.4(3) . .
C22 C21 C20 121.0(4) . .
C22 C21 H17 117(3) . .
C20 C21 H17 122(3) . .
C21 C22 C23 120.0(4) . .
C21 C22 H18 125(2) . .
C23 C22 H18 114(2) . .
C24 C23 C22 119.7(4) . .
C24 C23 H19 122(3) . .
C22 C23 H19 118(3) . .
C23 C24 C25 120.7(4) . .
C23 C24 H20 124(3) . .
C25 C24 H20 115(3) . .
C24 C25 C20 119.9(4) . .
C24 C25 H21 119(3) . .
C20 C25 H21 121(3) . .
C14 B1 H10 111(2) . .
C14 B1 H11 104(2) . .
H10 B1 H11 117(3) . .
C14 B1 H12 110(2) . .
H10 B1 H12 107(3) . .
H11 B1 H12 108(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N3 1.923(3) 2_766
Fe1 N2 1.928(3) .
Fe1 N5 1.958(3) .
Fe1 N6 1.984(3) .
Fe1 N1 2.034(3) .
Fe1 N4 2.050(3) 2_766
N1 C1 1.344(4) .
N1 C5 1.362(4) .
N2 N3 1.350(4) .
N2 C6 1.356(4) .
N3 C8 1.353(4) .
N3 Fe1 1.923(3) 2_766
N4 C13 1.344(5) .
N4 C9 1.357(5) .
N4 Fe1 2.050(3) 2_766
N5 C14 1.151(5) .
N6 C15 1.348(4) .
N6 C19 1.351(4) .
C1 C2 1.376(5) .
C1 H1 1.01(4) .
C2 C3 1.378(6) .
C2 H2 1.02(4) .
C3 C4 1.397(5) .
C3 H3 0.92(4) .
C4 C5 1.374(5) .
C4 H4 0.93(4) .
C5 C6 1.452(5) .
C6 C7 1.376(5) .
C7 C8 1.386(5) .
C7 H5 1.12(4) .
C8 C9 1.453(5) .
C9 C10 1.388(5) .
C10 C11 1.378(5) .
C10 H6 0.89(4) .
C11 C12 1.375(6) .
C11 H7 0.94(4) .
C12 C13 1.378(5) .
C12 H8 0.84(4) .
C13 H9 0.92(4) .
C14 B1 1.590(5) .
C15 C16 1.381(5) .
C15 H13 0.96(4) .
C16 C17 1.393(5) .
C16 H14 1.07(4) .
C17 C18 1.393(5) .
C17 C20 1.481(5) .
C18 C19 1.365(5) .
C18 H15 0.90(4) .
C19 H16 1.03(4) .
C20 C25 1.392(5) .
C20 C21 1.393(5) .
C21 C22 1.366(6) .
C21 H17 1.00(4) .
C22 C23 1.388(6) .
C22 H18 1.05(4) .
C23 C24 1.367(6) .
C23 H19 0.86(5) .
C24 C25 1.385(5) .
C24 H20 0.81(4) .
C25 H21 0.93(4) .
B1 H10 1.24(4) .
B1 H11 1.21(4) .
B1 H12 1.24(4) .
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
N3 Fe1 N1 C1 154.3(6) 2_766 .
N2 Fe1 N1 C1 172.2(3) . .
N5 Fe1 N1 C1 75.8(3) . .
N6 Fe1 N1 C1 -98.6(3) . .
N4 Fe1 N1 C1 -11.6(3) 2_766 .
N3 Fe1 N1 C5 -23.7(8) 2_766 .
N2 Fe1 N1 C5 -5.9(2) . .
N5 Fe1 N1 C5 -102.3(2) . .
N6 Fe1 N1 C5 83.4(2) . .
N4 Fe1 N1 C5 170.4(2) 2_766 .
N3 Fe1 N2 N3 -2.4(3) 2_766 .
N5 Fe1 N2 N3 -95.1(3) . .
N6 Fe1 N2 N3 91.5(3) . .
N1 Fe1 N2 N3 -179.7(3) . .
N4 Fe1 N2 N3 22.2(9) 2_766 .
N3 Fe1 N2 C6 -175.0(2) 2_766 .
N5 Fe1 N2 C6 92.2(2) . .
N6 Fe1 N2 C6 -81.2(2) . .
N1 Fe1 N2 C6 7.7(2) . .
N4 Fe1 N2 C6 -150.5(6) 2_766 .
C6 N2 N3 C8 -0.6(3) . .
Fe1 N2 N3 C8 -173.8(2) . .
C6 N2 N3 Fe1 176.5(2) . 2_766
Fe1 N2 N3 Fe1 3.3(5) . 2_766
N3 Fe1 N5 C14 154(2) 2_766 .
N2 Fe1 N5 C14 -115(2) . .
N6 Fe1 N5 C14 10(3) . .
N1 Fe1 N5 C14 -35(2) . .
N4 Fe1 N5 C14 74(2) 2_766 .
N3 Fe1 N6 C15 -144.7(3) 2_766 .
N2 Fe1 N6 C15 124.1(3) . .
N5 Fe1 N6 C15 -0.9(9) . .
N1 Fe1 N6 C15 43.7(3) . .
N4 Fe1 N6 C15 -64.9(3) 2_766 .
N3 Fe1 N6 C19 38.3(3) 2_766 .
N2 Fe1 N6 C19 -52.8(3) . .
N5 Fe1 N6 C19 -177.9(7) . .
N1 Fe1 N6 C19 -133.2(3) . .
N4 Fe1 N6 C19 118.2(3) 2_766 .
C5 N1 C1 C2 -3.1(5) . .
Fe1 N1 C1 C2 178.8(3) . .
N1 C1 C2 C3 1.8(6) . .
C1 C2 C3 C4 0.3(6) . .
C2 C3 C4 C5 -1.0(6) . .
C1 N1 C5 C4 2.4(5) . .
Fe1 N1 C5 C4 -179.3(3) . .
C1 N1 C5 C6 -175.0(3) . .
Fe1 N1 C5 C6 3.4(4) . .
C3 C4 C5 N1 -0.4(5) . .
C3 C4 C5 C6 176.7(3) . .
N3 N2 C6 C7 0.0(4) . .
Fe1 N2 C6 C7 174.6(2) . .
N3 N2 C6 C5 177.5(3) . .
Fe1 N2 C6 C5 -8.0(4) . .
N1 C5 C6 N2 2.7(4) . .
C4 C5 C6 N2 -174.6(3) . .
N1 C5 C6 C7 179.3(4) . .
C4 C5 C6 C7 1.9(6) . .
N2 C6 C7 C8 0.5(4) . .
C5 C6 C7 C8 -176.2(4) . .
N2 N3 C8 C7 0.9(4) . .
Fe1 N3 C8 C7 -176.7(2) 2_766 .
N2 N3 C8 C9 -172.5(3) . .
Fe1 N3 C8 C9 9.9(4) 2_766 .
C6 C7 C8 N3 -0.9(4) . .
C6 C7 C8 C9 170.4(4) . .
C13 N4 C9 C10 -3.3(5) . .
Fe1 N4 C9 C10 -179.3(3) 2_766 .
C13 N4 C9 C8 171.7(3) . .
Fe1 N4 C9 C8 -4.3(4) 2_766 .
N3 C8 C9 N4 -3.2(4) . .
C7 C8 C9 N4 -174.2(4) . .
N3 C8 C9 C10 171.8(3) . .
C7 C8 C9 C10 0.8(6) . .
N4 C9 C10 C11 3.3(6) . .
C8 C9 C10 C11 -171.3(3) . .
C9 C10 C11 C12 -0.3(6) . .
C10 C11 C12 C13 -2.4(6) . .
C9 N4 C13 C12 0.4(5) . .
Fe1 N4 C13 C12 175.5(3) 2_766 .
C11 C12 C13 N4 2.5(6) . .
Fe1 N5 C14 B1 -17(29) . .
C19 N6 C15 C16 3.2(5) . .
Fe1 N6 C15 C16 -173.9(3) . .
N6 C15 C16 C17 0.4(5) . .
C15 C16 C17 C18 -3.7(5) . .
C15 C16 C17 C20 174.8(3) . .
C16 C17 C18 C19 3.6(5) . .
C20 C17 C18 C19 -175.0(3) . .
C15 N6 C19 C18 -3.4(5) . .
Fe1 N6 C19 C18 173.7(3) . .
C17 C18 C19 N6 0.0(5) . .
C16 C17 C20 C25 -159.7(4) . .
C18 C17 C20 C25 18.8(5) . .
C16 C17 C20 C21 20.1(5) . .
C18 C17 C20 C21 -161.4(3) . .
C25 C20 C21 C22 0.6(6) . .
C17 C20 C21 C22 -179.1(3) . .
C20 C21 C22 C23 0.8(6) . .
C21 C22 C23 C24 -1.4(6) . .
C22 C23 C24 C25 0.5(7) . .
C23 C24 C25 C20 0.8(7) . .
C21 C20 C25 C24 -1.4(6) . .
C17 C20 C25 C24 178.3(4) . .
