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#$Date: 2016-03-26 02:13:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180129 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/27/7102749.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_7102749
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                92.519(6)
_cell_angle_beta                 108.793(9)
_cell_angle_gamma                105.710(5)
_cell_formula_units_Z            1
_cell_length_a                   9.4567(2)
_cell_length_b                   10.7576(6)
_cell_length_c                   13.1355(5)
_cell_measurement_reflns_used    7264
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.4
_cell_volume                     1205.11(9)
_computing_cell_refinement       'CrystalClear (Rigaku Corp.,2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp.,2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp.,2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.948
_diffrn_measured_fraction_theta_max 0.948
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0567
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10582
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.650
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.301
_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          0.10
_refine_diff_density_max         0.953
_refine_diff_density_min         -0.518
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5236
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0959
_refine_ls_R_factor_gt           0.0560
_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)+(0.0965P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1445
_refine_ls_wR_factor_ref         0.1638
_reflns_number_gt                3346
_reflns_number_total             5236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b411190g.txt
_cod_data_source_block           shelxl
_cod_database_code               7102749
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
Fe1 Fe 0.50620(5) -0.18932(4) 0.45813(4) 0.05097(19) Uani 1 1 d .
N1 N 0.7293(3) -0.2399(3) 0.5087(2) 0.0587(7) Uani 1 1 d .
N2 N 0.6781(3) -0.0162(2) 0.5460(2) 0.0493(6) Uani 1 1 d .
N3 N 0.6728(3) 0.1047(2) 0.5737(2) 0.0504(6) Uani 1 1 d .
N4 N 0.7080(4) 0.3466(3) 0.6532(2) 0.0642(8) Uani 1 1 d .
N5 N 0.4644(4) -0.2763(3) 0.5935(3) 0.0674(8) Uani 1 1 d .
N6 N 0.5537(3) -0.1420(2) 0.3085(2) 0.0560(7) Uani 1 1 d .
B1 B 0.4155(8) -0.3882(5) 0.7655(5) 0.0914(16) Uani 1 1 d .
C1 C 0.7511(5) -0.3546(4) 0.4885(4) 0.0759(11) Uani 1 1 d .
C10 C 0.9821(5) 0.3953(4) 0.7464(4) 0.0857(13) Uani 1 1 d .
C11 C 0.9879(6) 0.5140(4) 0.7932(4) 0.1059(17) Uani 1 1 d .
C12 C 0.8552(7) 0.5476(4) 0.7702(5) 0.1032(17) Uani 1 1 d .
C13 C 0.7169(5) 0.4641(3) 0.6990(4) 0.0816(12) Uani 1 1 d .
C14 C 0.4450(4) -0.3217(3) 0.6654(4) 0.0657(10) Uani 1 1 d .
C15 C 0.5949(5) -0.2175(3) 0.2466(3) 0.0680(10) Uani 1 1 d .
C16 C 0.6449(5) -0.1784(4) 0.1642(3) 0.0697(10) Uani 1 1 d .
C17 C 0.6564(4) -0.0540(3) 0.1380(3) 0.0597(8) Uani 1 1 d .
C18 C 0.6067(4) 0.0221(3) 0.1994(3) 0.0625(9) Uani 1 1 d .
C19 C 0.5593(4) -0.0229(3) 0.2811(3) 0.0575(8) Uani 1 1 d .
C2 C 0.8948(6) -0.3738(5) 0.5218(4) 0.0956(15) Uani 1 1 d .
C20 C 0.7194(4) -0.0041(4) 0.0531(3) 0.0689(10) Uani 1 1 d .
C21 C 0.7319(7) -0.0880(6) -0.0251(4) 0.1023(15) Uani 1 1 d .
C22 C 0.7947(8) -0.0395(8) -0.1018(4) 0.123(2) Uani 1 1 d .
C23 C 0.8427(7) 0.0909(8) -0.1028(5) 0.120(2) Uani 1 1 d .
C24 C 0.8291(8) 0.1746(7) -0.0291(5) 0.141(3) Uani 1 1 d .
C25 C 0.7664(7) 0.1271(5) 0.0474(4) 0.1133(19) Uani 1 1 d .
C3 C 1.0226(6) -0.2741(5) 0.5777(4) 0.0951(15) Uani 1 1 d .
C4 C 1.0053(5) -0.1533(4) 0.6018(3) 0.0754(11) Uani 1 1 d .
C5 C 0.8575(4) -0.1391(3) 0.5657(3) 0.0560(8) Uani 1 1 d .
C6 C 0.8275(4) -0.0155(3) 0.5867(2) 0.0497(7) Uani 1 1 d .
C7 C 0.9222(4) 0.1054(3) 0.6421(3) 0.0583(8) Uani 1 1 d .
C8 C 0.8209(4) 0.1788(3) 0.6326(3) 0.0530(8) Uani 1 1 d .
C9 C 0.8394(4) 0.3119(3) 0.6784(3) 0.0603(9) Uani 1 1 d .
H1 H 0.6641 -0.4247 0.4498 0.091 Uiso 1 1 calc R
H2 H 0.9044 -0.4556 0.5060 0.115 Uiso 1 1 calc R
H3 H 1.1214 -0.2859 0.5999 0.114 Uiso 1 1 calc R
H4 H 1.0918 -0.0834 0.6417 0.090 Uiso 1 1 calc R
H5 H 1.0301 0.1316 0.6779 0.070 Uiso 1 1 calc R
H6 H 1.0730 0.3711 0.7602 0.103 Uiso 1 1 calc R
H7 H 1.0823 0.5705 0.8402 0.127 Uiso 1 1 calc R
H8 H 0.8568 0.6270 0.8024 0.124 Uiso 1 1 calc R
H9 H 0.6267 0.4898 0.6819 0.098 Uiso 1 1 calc R
H10 H 0.3458 -0.4754 0.7400 0.110 Uiso 1 1 calc R
H11 H 0.3695 -0.3384 0.8006 0.110 Uiso 1 1 calc R
H12 H 0.5133 -0.3910 0.8163 0.110 Uiso 1 1 calc R
H13 H 0.5889 -0.3023 0.2611 0.082 Uiso 1 1 calc R
H14 H 0.6719 -0.2362 0.1247 0.084 Uiso 1 1 calc R
H15 H 0.6061 0.1056 0.1840 0.075 Uiso 1 1 calc R
H16 H 0.5289 0.0321 0.3207 0.069 Uiso 1 1 calc R
H17 H 0.6976 -0.1777 -0.0256 0.123 Uiso 1 1 calc R
H18 H 0.8040 -0.0965 -0.1530 0.147 Uiso 1 1 calc R
H19 H 0.8854 0.1232 -0.1545 0.144 Uiso 1 1 calc R
H20 H 0.8622 0.2640 -0.0302 0.169 Uiso 1 1 calc R
H21 H 0.7553 0.1853 0.0966 0.136 Uiso 1 1 calc R
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 93.29(9) 2_656 .
N3 Fe1 N5 95.55(11) 2_656 .
N2 Fe1 N5 97.70(11) . .
N3 Fe1 N6 93.47(10) 2_656 .
N2 Fe1 N6 90.54(10) . .
N5 Fe1 N6 167.39(10) . .
N3 Fe1 N1 168.38(10) 2_656 .
N2 Fe1 N1 75.10(10) . .
N5 Fe1 N1 86.65(11) . .
N6 Fe1 N1 86.27(10) . .
N3 Fe1 N4 75.37(10) 2_656 2_656
N2 Fe1 N4 167.65(10) . 2_656
N5 Fe1 N4 88.40(12) . 2_656
N6 Fe1 N4 85.37(10) . 2_656
N1 Fe1 N4 116.15(11) . 2_656
C1 N1 C5 117.5(3) . .
C1 N1 Fe1 128.1(3) . .
C5 N1 Fe1 114.4(2) . .
C6 N2 N3 107.8(2) . .
C6 N2 Fe1 119.0(2) . .
N3 N2 Fe1 133.24(19) . .
N2 N3 C8 107.7(2) . .
N2 N3 Fe1 133.45(19) . 2_656
C8 N3 Fe1 118.9(2) . 2_656
C9 N4 C13 117.9(3) . .
C9 N4 Fe1 113.5(2) . 2_656
C13 N4 Fe1 128.5(3) . 2_656
C14 N5 Fe1 178.9(3) . .
C19 N6 C15 115.0(3) . .
C19 N6 Fe1 118.9(2) . .
C15 N6 Fe1 125.6(2) . .
N1 C1 C2 123.1(4) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C3 C2 C1 119.8(4) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C2 C3 C4 119.1(4) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C5 C4 C3 118.7(4) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
N1 C5 C4 121.8(3) . .
N1 C5 C6 115.5(3) . .
C4 C5 C6 122.7(3) . .
N2 C6 C7 110.6(3) . .
N2 C6 C5 116.1(3) . .
C7 C6 C5 133.3(3) . .
C6 C7 C8 104.3(3) . .
C6 C7 H5 127.9 . .
C8 C7 H5 127.9 . .
N3 C8 C7 109.6(3) . .
N3 C8 C9 116.4(3) . .
C7 C8 C9 133.8(3) . .
N4 C9 C10 121.6(3) . .
N4 C9 C8 115.6(3) . .
C10 C9 C8 122.7(4) . .
C11 C10 C9 119.4(5) . .
C11 C10 H6 120.3 . .
C9 C10 H6 120.3 . .
C12 C11 C10 119.0(4) . .
C12 C11 H7 120.5 . .
C10 C11 H7 120.5 . .
C11 C12 C13 119.8(4) . .
C11 C12 H8 120.1 . .
C13 C12 H8 120.1 . .
N4 C13 C12 122.1(4) . .
N4 C13 H9 118.9 . .
C12 C13 H9 118.9 . .
N5 C14 B1 178.9(4) . .
N6 C15 C16 124.2(3) . .
N6 C15 H13 117.9 . .
C16 C15 H13 117.9 . .
C15 C16 C17 121.0(3) . .
C15 C16 H14 119.5 . .
C17 C16 H14 119.5 . .
C16 C17 C18 114.5(3) . .
C16 C17 C20 123.0(3) . .
C18 C17 C20 122.4(3) . .
C19 C18 C17 121.2(3) . .
C19 C18 H15 119.4 . .
C17 C18 H15 119.4 . .
N6 C19 C18 123.9(3) . .
N6 C19 H16 118.0 . .
C18 C19 H16 118.0 . .
C25 C20 C21 117.0(4) . .
C25 C20 C17 121.4(4) . .
C21 C20 C17 121.5(4) . .
C22 C21 C20 120.7(5) . .
C22 C21 H17 119.6 . .
C20 C21 H17 119.6 . .
C23 C22 C21 120.1(5) . .
C23 C22 H18 120.0 . .
C21 C22 H18 120.0 . .
C24 C23 C22 120.4(6) . .
C24 C23 H19 119.8 . .
C22 C23 H19 119.8 . .
C23 C24 C25 119.8(6) . .
C23 C24 H20 120.1 . .
C25 C24 H20 120.1 . .
C20 C25 C24 121.8(5) . .
C20 C25 H21 119.1 . .
C24 C25 H21 119.1 . .
C14 B1 H10 109.5 . .
C14 B1 H11 109.5 . .
H10 B1 H11 109.5 . .
C14 B1 H12 109.5 . .
H10 B1 H12 109.5 . .
H11 B1 H12 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N3 2.069(2) 2_656
Fe1 N2 2.099(2) .
Fe1 N5 2.143(4) .
Fe1 N6 2.203(3) .
Fe1 N1 2.223(3) .
Fe1 N4 2.263(3) 2_656
N1 C1 1.334(4) .
N1 C5 1.356(4) .
N2 C6 1.338(4) .
N2 N3 1.353(3) .
N3 C8 1.356(4) .
N3 Fe1 2.069(2) 2_656
N4 C9 1.338(5) .
N4 C13 1.346(4) .
N4 Fe1 2.263(3) 2_656
N5 C14 1.126(5) .
N6 C19 1.337(4) .
N6 C15 1.339(4) .
C1 C2 1.363(6) .
C1 H1 0.9300 .
C2 C3 1.344(7) .
C2 H2 0.9300 .
C3 C4 1.389(6) .
C3 H3 0.9300 .
C4 C5 1.377(5) .
C4 H4 0.9300 .
C5 C6 1.465(4) .
C6 C7 1.374(5) .
C7 C8 1.378(5) .
C7 H5 0.9300 .
C8 C9 1.470(4) .
C9 C10 1.386(5) .
C10 C11 1.372(6) .
C10 H6 0.9300 .
C11 C12 1.344(7) .
C11 H7 0.9300 .
C12 C13 1.376(7) .
C12 H8 0.9300 .
C13 H9 0.9300 .
C14 B1 1.590(7) .
C15 C16 1.354(5) .
C15 H13 0.9300 .
C16 C17 1.381(5) .
C16 H14 0.9300 .
C17 C18 1.392(5) .
C17 C20 1.481(5) .
C18 C19 1.351(5) .
C18 H15 0.9300 .
C19 H16 0.9300 .
C20 C25 1.373(6) .
C20 C21 1.393(6) .
C21 C22 1.380(7) .
C21 H17 0.9300 .
C22 C23 1.355(8) .
C22 H18 0.9300 .
C23 C24 1.353(8) .
C23 H19 0.9300 .
C24 C25 1.374(7) .
C24 H20 0.9300 .
C25 H21 0.9300 .
B1 H10 0.9600 .
B1 H11 0.9600 .
B1 H12 0.9600 .
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 -177.7(5) 2_656 .
N2 Fe1 N1 C1 179.9(3) . .
N5 Fe1 N1 C1 81.0(3) . .
N6 Fe1 N1 C1 -88.6(3) . .
N4 Fe1 N1 C1 -5.6(4) 2_656 .
N3 Fe1 N1 C5 1.3(7) 2_656 .
N2 Fe1 N1 C5 -1.2(2) . .
N5 Fe1 N1 C5 -100.1(2) . .
N6 Fe1 N1 C5 90.4(2) . .
N4 Fe1 N1 C5 173.3(2) 2_656 .
N3 Fe1 N2 C6 -178.8(2) 2_656 .
N5 Fe1 N2 C6 85.1(2) . .
N6 Fe1 N2 C6 -85.3(2) . .
N1 Fe1 N2 C6 0.7(2) . .
N4 Fe1 N2 C6 -155.8(4) 2_656 .
N3 Fe1 N2 N3 1.4(3) 2_656 .
N5 Fe1 N2 N3 -94.7(3) . .
N6 Fe1 N2 N3 94.9(3) . .
N1 Fe1 N2 N3 -179.1(3) . .
N4 Fe1 N2 N3 24.4(7) 2_656 .
C6 N2 N3 C8 -0.5(4) . .
Fe1 N2 N3 C8 179.3(2) . .
C6 N2 N3 Fe1 178.3(2) . 2_656
Fe1 N2 N3 Fe1 -1.9(5) . 2_656
N3 Fe1 N5 C14 -146(16) 2_656 .
N2 Fe1 N5 C14 -52(16) . .
N6 Fe1 N5 C14 78(16) . .
N1 Fe1 N5 C14 22(16) . .
N4 Fe1 N5 C14 139(16) 2_656 .
N3 Fe1 N6 C19 44.4(2) 2_656 .
N2 Fe1 N6 C19 -49.0(2) . .
N5 Fe1 N6 C19 180.0(4) . .
N1 Fe1 N6 C19 -124.0(2) . .
N4 Fe1 N6 C19 119.4(2) 2_656 .
N3 Fe1 N6 C15 -143.4(3) 2_656 .
N2 Fe1 N6 C15 123.3(3) . .
N5 Fe1 N6 C15 -7.8(7) . .
N1 Fe1 N6 C15 48.2(3) . .
N4 Fe1 N6 C15 -68.4(3) 2_656 .
C5 N1 C1 C2 -0.3(6) . .
Fe1 N1 C1 C2 178.6(3) . .
N1 C1 C2 C3 -0.1(8) . .
C1 C2 C3 C4 0.9(8) . .
C2 C3 C4 C5 -1.3(7) . .
C1 N1 C5 C4 -0.1(5) . .
Fe1 N1 C5 C4 -179.1(3) . .
C1 N1 C5 C6 -179.4(3) . .
Fe1 N1 C5 C6 1.5(4) . .
C3 C4 C5 N1 0.9(6) . .
C3 C4 C5 C6 -179.8(3) . .
N3 N2 C6 C7 0.3(4) . .
Fe1 N2 C6 C7 -179.5(2) . .
N3 N2 C6 C5 179.7(3) . .
Fe1 N2 C6 C5 -0.1(4) . .
N1 C5 C6 N2 -1.0(4) . .
C4 C5 C6 N2 179.6(3) . .
N1 C5 C6 C7 178.2(3) . .
C4 C5 C6 C7 -1.1(6) . .
N2 C6 C7 C8 0.0(4) . .
C5 C6 C7 C8 -179.3(3) . .
N2 N3 C8 C7 0.5(4) . .
Fe1 N3 C8 C7 -178.5(2) 2_656 .
N2 N3 C8 C9 -175.3(3) . .
Fe1 N3 C8 C9 5.8(4) 2_656 .
C6 C7 C8 N3 -0.3(4) . .
C6 C7 C8 C9 174.4(4) . .
C13 N4 C9 C10 -2.3(6) . .
Fe1 N4 C9 C10 -179.5(3) 2_656 .
C13 N4 C9 C8 175.6(3) . .
Fe1 N4 C9 C8 -1.6(4) 2_656 .
N3 C8 C9 N4 -2.5(5) . .
C7 C8 C9 N4 -176.9(4) . .
N3 C8 C9 C10 175.5(3) . .
C7 C8 C9 C10 1.0(6) . .
N4 C9 C10 C11 3.2(6) . .
C8 C9 C10 C11 -174.6(4) . .
C9 C10 C11 C12 -1.3(8) . .
C10 C11 C12 C13 -1.2(8) . .
C9 N4 C13 C12 -0.3(6) . .
Fe1 N4 C13 C12 176.4(4) 2_656 .
C11 C12 C13 N4 2.1(8) . .
Fe1 N5 C14 B1 -120(23) . .
C19 N6 C15 C16 2.4(5) . .
Fe1 N6 C15 C16 -170.1(3) . .
N6 C15 C16 C17 -0.2(6) . .
C15 C16 C17 C18 -2.6(5) . .
C15 C16 C17 C20 176.2(4) . .
C16 C17 C18 C19 3.2(5) . .
C20 C17 C18 C19 -175.6(3) . .
C15 N6 C19 C18 -1.7(5) . .
Fe1 N6 C19 C18 171.3(3) . .
C17 C18 C19 N6 -1.1(6) . .
C16 C17 C20 C25 -163.2(4) . .
C18 C17 C20 C25 15.4(6) . .
C16 C17 C20 C21 17.6(6) . .
C18 C17 C20 C21 -163.8(4) . .
C25 C20 C21 C22 2.4(8) . .
C17 C20 C21 C22 -178.4(4) . .
C20 C21 C22 C23 -1.0(9) . .
C21 C22 C23 C24 -0.3(10) . .
C22 C23 C24 C25 0.1(11) . .
C21 C20 C25 C24 -2.7(8) . .
C17 C20 C25 C24 178.1(5) . .
C23 C24 C25 C20 1.5(10) . .
