#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/54/2235415.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2235415
loop_
_publ_author_name
'M'thiruaine, Cyprian M.'
'Friedrich, Holger B.'
'Changamu, Evans O.'
'Fernandes, Manuel A.'
_publ_section_title
;
 Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κN¹)(η⁵-pentamethylcyclopentadienyl)iron(II)
 tetrafluoridoborate
;
_journal_coeditor_code           FJ2565
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m931
_journal_paper_doi               10.1107/S1600536812026360
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Fe (C10 H15) (C6 H12 N4) (C O)2] B F4'
_chemical_formula_moiety         'C18 H27 Fe N4 O2 +, B F4 -'
_chemical_formula_sum            'C18 H27 B F4 Fe N4 O2'
_chemical_formula_weight         474.10
_chemical_name_systematic
;
Dicarbonyl(hexamethylene-1,3,5,7-tetramine-κN¹)(η⁵-
pentamethylcyclopentadienyl)iron(II) tetrafluoridoborate
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8388(6)
_cell_length_b                   9.1771(4)
_cell_length_c                   16.4365(8)
_cell_measurement_reflns_used    4126
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      2.48
_cell_volume                     2087.44(16)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 Farrugia (1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and 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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16663
_diffrn_reflns_theta_full        27.99
_diffrn_reflns_theta_max         27.99
_diffrn_reflns_theta_min         1.92
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.780
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7456
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2005)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.559
_refine_diff_density_min         -0.548
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2671
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0334
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0514P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                2065
_reflns_number_total             2671
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fj2565.cif
_cod_data_source_block           I
_cod_database_code               2235415
_cod_database_fobs_code          2235415
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 -0.07473(16) 0.7500 0.29615(16) 0.0216(5) Uani d S 1 2
C C2 -0.04858(13) 0.8758(2) 0.25029(10) 0.0225(4) Uani d . 1 1
C C3 -0.01373(12) 0.82727(19) 0.17274(10) 0.0239(4) Uani d . 1 1
C C4 -0.13130(18) 0.7500 0.37414(16) 0.0286(6) Uani d S 1 2
H H4A -0.1161 0.6660 0.4052 0.043 Uiso d PR 0.50 1
H H4B -0.1985 0.7500 0.3629 0.043 Uiso d SR 1 2
H H4C -0.1161 0.8340 0.4052 0.043 Uiso d PR 0.50 1
C C5 -0.06466(14) 1.0313(2) 0.27470(13) 0.0304(4) Uani d . 1 1
H H5A -0.1229 1.0685 0.2478 0.046 Uiso calc R 1 1
H H5B -0.0088 1.0900 0.2584 0.046 Uiso calc R 1 1
H H5C -0.0728 1.0370 0.3338 0.046 Uiso calc R 1 1
C C6 0.00822(15) 0.9225(2) 0.10053(12) 0.0351(5) Uani d . 1 1
H H6A 0.0601 0.8783 0.0683 0.053 Uiso calc R 1 1
H H6B 0.0287 1.0190 0.1194 0.053 Uiso calc R 1 1
H H6C -0.0499 0.9324 0.0668 0.053 Uiso calc R 1 1
C C7 0.15593(13) 0.6020(2) 0.23589(11) 0.0263(4) Uani d . 1 1
C C8 0.09551(13) 0.61629(18) 0.43011(11) 0.0220(4) Uani d . 1 1
H H8A 0.0240 0.6120 0.4298 0.026 Uiso calc R 1 1
H H8B 0.1200 0.5280 0.4023 0.026 Uiso calc R 1 1
C C9 0.23775(17) 0.7500 0.38815(15) 0.0238(5) Uani d S 1 2
H H9A 0.2629 0.6628 0.3597 0.029 Uiso calc PR 0.50 1
H H9B 0.2629 0.8372 0.3597 0.029 Uiso calc PR 0.50 1
C C10 0.23601(14) 0.61969(19) 0.51331(11) 0.0295(4) Uani d . 1 1
H H10A 0.2601 0.6186 0.5700 0.035 Uiso calc R 1 1
H H10B 0.2606 0.5313 0.4857 0.035 Uiso calc R 1 1
C C11 0.0944(2) 0.7500 0.55398(16) 0.0278(6) Uani d S 1 2
H H11A 0.1160 0.7500 0.6114 0.033 Uiso calc SR 1 2
H H11B 0.0228 0.7500 0.5537 0.033 Uiso calc SR 1 2
B B1 0.2554(3) 0.2500 0.4092(2) 0.0361(8) Uani d S 1 2
F F1 0.28284(11) 0.12563(13) 0.36756(8) 0.0570(4) Uani d . 1 1
F F2 0.29634(17) 0.2500 0.48627(13) 0.0660(6) Uani d S 1 2
F F3 0.15679(15) 0.2500 0.41946(15) 0.0703(7) Uani d S 1 2
Fe Fe1 0.07875(2) 0.7500 0.26471(2) 0.01882(12) Uani d S 1 2
N N1 0.12822(14) 0.7500 0.38349(12) 0.0187(4) Uani d S 1 2
N N2 0.12944(12) 0.61662(15) 0.51387(9) 0.0253(3) Uani d . 1 1
N N3 0.27327(16) 0.7500 0.47139(13) 0.0269(5) Uani d S 1 2
O O1 0.19858(10) 0.50678(17) 0.21102(9) 0.0410(4) Uani d . 1 1
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'
F F 0.0171 0.0103 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C2 C1 C2 . 7_575 108.2(2)
C2 C1 C4 . . 125.70(11)
C2 C1 C4 7_575 . 125.70(11)
C2 C1 Fe1 . . 68.18(12)
C2 C1 Fe1 7_575 . 68.18(12)
C4 C1 Fe1 . . 135.09(18)
C1 C2 C3 . . 107.69(16)
C1 C2 C5 . . 126.29(17)
C3 C2 C5 . . 125.70(16)
C1 C2 Fe1 . . 73.19(12)
C3 C2 Fe1 . . 69.55(10)
C5 C2 Fe1 . . 127.73(13)
C3 C3 C2 7_575 . 108.09(10)
C3 C3 C6 7_575 . 125.52(11)
C2 C3 C6 . . 126.05(16)
C3 C3 Fe1 7_575 . 70.30(5)
C2 C3 Fe1 . . 70.76(10)
C6 C3 Fe1 . . 129.76(13)
C1 C4 H4A . . 110.1
C1 C4 H4B . . 110.2
H4A C4 H4B . . 108.8
C1 C4 H4C . . 110.1
H4A C4 H4C . . 108.8
H4B C4 H4C . . 108.8
C2 C5 H5A . . 109.5
C2 C5 H5B . . 109.5
H5A C5 H5B . . 109.5
C2 C5 H5C . . 109.5
H5A C5 H5C . . 109.5
H5B C5 H5C . . 109.5
C3 C6 H6A . . 109.5
C3 C6 H6B . . 109.5
H6A C6 H6B . . 109.5
C3 C6 H6C . . 109.5
H6A C6 H6C . . 109.5
H6B C6 H6C . . 109.5
O1 C7 Fe1 . . 172.94(17)
N2 C8 N1 . . 112.36(14)
N2 C8 H8A . . 109.1
N1 C8 H8A . . 109.1
N2 C8 H8B . . 109.1
N1 C8 H8B . . 109.1
H8A C8 H8B . . 107.9
N3 C9 N1 . . 112.7(2)
N3 C9 H9A . . 109.1
N1 C9 H9A . . 109.1
N3 C9 H9B . . 109.1
N1 C9 H9B . . 109.1
H9A C9 H9B . . 107.8
N3 C10 N2 . . 111.61(15)
N3 C10 H10A . . 109.3
N2 C10 H10A . . 109.3
N3 C10 H10B . . 109.3
N2 C10 H10B . . 109.3
H10A C10 H10B . . 108.0
N2 C11 N2 . 7_575 112.4(2)
N2 C11 H11A . . 109.1
N2 C11 H11A 7_575 . 109.1
N2 C11 H11B . . 109.1
N2 C11 H11B 7_575 . 109.1
H11A C11 H11B . . 107.8
F3 B1 F1 . 7_565 109.5(2)
F3 B1 F1 . . 109.5(2)
F1 B1 F1 7_565 . 111.1(3)
F3 B1 F2 . . 107.1(3)
F1 B1 F2 7_565 . 109.8(2)
F1 B1 F2 . . 109.8(2)
C7 Fe1 C7 . 7_575 98.58(12)
C7 Fe1 N1 . . 93.00(7)
C7 Fe1 N1 7_575 . 93.00(7)
C7 Fe1 C3 . 7_575 85.25(8)
C7 Fe1 C3 7_575 7_575 115.35(8)
N1 Fe1 C3 . 7_575 151.56(6)
C7 Fe1 C3 . . 115.35(8)
C7 Fe1 C3 7_575 . 85.25(8)
N1 Fe1 C3 . . 151.56(6)
C3 Fe1 C3 7_575 . 39.40(10)
C7 Fe1 C2 . 7_575 93.05(8)
C7 Fe1 C2 7_575 7_575 151.50(8)
N1 Fe1 C2 . 7_575 112.37(7)
C3 Fe1 C2 7_575 7_575 39.69(7)
C3 Fe1 C2 . 7_575 66.27(7)
C7 Fe1 C2 . . 151.50(8)
C7 Fe1 C2 7_575 . 93.05(8)
N1 Fe1 C2 . . 112.37(7)
C3 Fe1 C2 7_575 . 66.27(7)
C3 Fe1 C2 . . 39.69(7)
C2 Fe1 C2 7_575 . 65.99(10)
C7 Fe1 C1 . . 129.93(6)
C7 Fe1 C1 7_575 . 129.93(6)
N1 Fe1 C1 . . 95.65(9)
C3 Fe1 C1 7_575 . 65.09(8)
C3 Fe1 C1 . . 65.09(8)
C2 Fe1 C1 7_575 . 38.62(6)
C2 Fe1 C1 . . 38.62(6)
C8 N1 C8 7_575 . 108.09(18)
C8 N1 C9 7_575 . 105.83(12)
C8 N1 C9 . . 105.83(12)
C8 N1 Fe1 7_575 . 112.22(10)
C8 N1 Fe1 . . 112.22(10)
C9 N1 Fe1 . . 112.21(14)
C8 N2 C11 . . 108.61(16)
C8 N2 C10 . . 108.47(14)
C11 N2 C10 . . 108.45(16)
C9 N3 C10 . 7_575 108.77(13)
C9 N3 C10 . . 108.77(13)
C10 N3 C10 7_575 . 108.5(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C2 . 1.425(2)
C1 C2 7_575 1.425(2)
C1 C4 . 1.502(3)
C1 Fe1 . 2.186(2)
C2 C3 . 1.434(2)
C2 C5 . 1.499(2)
C2 Fe1 . 2.1199(18)
C3 C3 7_575 1.418(3)
C3 C6 . 1.505(2)
C3 Fe1 . 2.1038(17)
C4 H4A . 0.9482
C4 H4B . 0.9477
C4 H4C . 0.9482
C5 H5A . 0.9800
C5 H5B . 0.9800
C5 H5C . 0.9800
C6 H6A . 0.9800
C6 H6B . 0.9800
C6 H6C . 0.9800
C7 O1 . 1.131(2)
C7 Fe1 . 1.791(2)
C8 N2 . 1.455(2)
C8 N1 . 1.516(2)
C8 H8A . 0.9900
C8 H8B . 0.9900
C9 N3 . 1.454(3)
C9 N1 . 1.518(3)
C9 H9A . 0.9900
C9 H9B . 0.9900
C10 N3 . 1.473(2)
C10 N2 . 1.475(3)
C10 H10A . 0.9900
C10 H10B . 0.9900
C11 N2 . 1.473(2)
C11 N2 7_575 1.473(2)
C11 H11A . 0.9900
C11 H11B . 0.9900
B1 F3 . 1.375(4)
B1 F1 7_565 1.384(2)
B1 F1 . 1.384(2)
B1 F2 . 1.388(4)
Fe1 C7 7_575 1.791(2)
Fe1 N1 . 2.069(2)
Fe1 C3 7_575 2.1038(17)
Fe1 C2 7_575 2.1199(18)
N1 C8 7_575 1.516(2)
N3 C10 7_575 1.473(2)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C2 C1 C2 C3 7_575 . 4.9(3)
C4 C1 C2 C3 . . -168.0(2)
Fe1 C1 C2 C3 . . 61.35(13)
C2 C1 C2 C5 7_575 . 178.72(12)
C4 C1 C2 C5 . . 5.8(4)
Fe1 C1 C2 C5 . . -124.84(19)
C2 C1 C2 Fe1 7_575 . -56.44(17)
C4 C1 C2 Fe1 . . 130.7(2)
C1 C2 C3 C3 . 7_575 -3.03(16)
C5 C2 C3 C3 . 7_575 -176.89(15)
Fe1 C2 C3 C3 . 7_575 60.69(12)
C1 C2 C3 C6 . . 170.56(18)
C5 C2 C3 C6 . . -3.3(3)
Fe1 C2 C3 C6 . . -125.73(18)
C1 C2 C3 Fe1 . . -63.71(14)
C5 C2 C3 Fe1 . . 122.43(19)
C3 C3 Fe1 C7 7_575 . 43.83(7)
C2 C3 Fe1 C7 . . 162.15(11)
C6 C3 Fe1 C7 . . -76.48(19)
C3 C3 Fe1 C7 7_575 7_575 141.10(6)
C2 C3 Fe1 C7 . 7_575 -100.59(12)
C6 C3 Fe1 C7 . 7_575 20.78(18)
C3 C3 Fe1 N1 7_575 . -131.39(13)
C2 C3 Fe1 N1 . . -13.07(18)
C6 C3 Fe1 N1 . . 108.29(19)
C2 C3 Fe1 C3 . 7_575 118.32(9)
C6 C3 Fe1 C3 . 7_575 -120.32(16)
C3 C3 Fe1 C2 7_575 7_575 -37.89(6)
C2 C3 Fe1 C2 . 7_575 80.43(14)
C6 C3 Fe1 C2 . 7_575 -158.20(19)
C3 C3 Fe1 C2 7_575 . -118.32(9)
C6 C3 Fe1 C2 . . 121.4(2)
C3 C3 Fe1 C1 7_575 . -80.43(9)
C2 C3 Fe1 C1 . . 37.89(9)
C6 C3 Fe1 C1 . . 159.25(19)
C1 C2 Fe1 C7 . . 81.4(2)
C3 C2 Fe1 C7 . . -35.5(2)
C5 C2 Fe1 C7 . . -155.42(17)
C1 C2 Fe1 C7 . 7_575 -164.35(13)
C3 C2 Fe1 C7 . 7_575 78.81(12)
C5 C2 Fe1 C7 . 7_575 -41.12(17)
C1 C2 Fe1 N1 . . -69.85(12)
C3 C2 Fe1 N1 . . 173.31(9)
C5 C2 Fe1 N1 . . 53.38(17)
C1 C2 Fe1 C3 . 7_575 79.22(12)
C3 C2 Fe1 C3 . 7_575 -37.62(11)
C5 C2 Fe1 C3 . 7_575 -157.54(18)
C1 C2 Fe1 C3 . . 116.84(16)
C5 C2 Fe1 C3 . . -119.9(2)
C1 C2 Fe1 C2 . 7_575 35.65(13)
C3 C2 Fe1 C2 . 7_575 -81.19(10)
C5 C2 Fe1 C2 . 7_575 158.88(14)
C3 C2 Fe1 C1 . . -116.84(16)
C5 C2 Fe1 C1 . . 123.2(2)
C2 C1 Fe1 C7 . . -142.04(11)
C2 C1 Fe1 C7 7_575 . -20.56(17)
C4 C1 Fe1 C7 . . 98.70(10)
C2 C1 Fe1 C7 . 7_575 20.56(17)
C2 C1 Fe1 C7 7_575 7_575 142.04(11)
C4 C1 Fe1 C7 . 7_575 -98.70(10)
C2 C1 Fe1 N1 . . 119.26(11)
C2 C1 Fe1 N1 7_575 . -119.26(11)
C4 C1 Fe1 N1 . . 0.0
C2 C1 Fe1 C3 . 7_575 -82.56(13)
C2 C1 Fe1 C3 7_575 7_575 38.92(11)
C4 C1 Fe1 C3 . 7_575 158.18(5)
C2 C1 Fe1 C3 . . -38.92(11)
C2 C1 Fe1 C3 7_575 . 82.56(13)
C4 C1 Fe1 C3 . . -158.18(5)
C2 C1 Fe1 C2 . 7_575 -121.5(2)
C4 C1 Fe1 C2 . 7_575 119.26(11)
C2 C1 Fe1 C2 7_575 . 121.5(2)
C4 C1 Fe1 C2 . . -119.26(11)
N2 C8 N1 C8 . 7_575 -55.2(2)
N2 C8 N1 C9 . . 57.82(19)
N2 C8 N1 Fe1 . . -179.48(11)
N3 C9 N1 C8 . 7_575 57.29(11)
N3 C9 N1 C8 . . -57.29(11)
N3 C9 N1 Fe1 . . 180.0
C7 Fe1 N1 C8 . 7_575 168.40(13)
C7 Fe1 N1 C8 7_575 7_575 69.64(13)
C3 Fe1 N1 C8 7_575 7_575 -106.04(13)
C3 Fe1 N1 C8 . 7_575 -15.9(2)
C2 Fe1 N1 C8 7_575 7_575 -97.06(12)
C2 Fe1 N1 C8 . 7_575 -24.90(14)
C1 Fe1 N1 C8 . 7_575 -60.98(12)
C7 Fe1 N1 C8 . . -69.64(13)
C7 Fe1 N1 C8 7_575 . -168.40(13)
C3 Fe1 N1 C8 7_575 . 15.9(2)
C3 Fe1 N1 C8 . . 106.04(13)
C2 Fe1 N1 C8 7_575 . 24.90(14)
C2 Fe1 N1 C8 . . 97.06(12)
C1 Fe1 N1 C8 . . 60.98(12)
C7 Fe1 N1 C9 . . 49.38(6)
C7 Fe1 N1 C9 7_575 . -49.38(6)
C3 Fe1 N1 C9 7_575 . 134.94(12)
C3 Fe1 N1 C9 . . -134.94(12)
C2 Fe1 N1 C9 7_575 . 143.92(6)
C2 Fe1 N1 C9 . . -143.92(6)
C1 Fe1 N1 C9 . . 180.0
N1 C8 N2 C11 . . 57.6(2)
N1 C8 N2 C10 . . -60.06(18)
N2 C11 N2 C8 7_575 . -60.0(3)
N2 C11 N2 C10 7_575 . 57.7(2)
N3 C10 N2 C8 . . 59.72(18)
N3 C10 N2 C11 . . -58.1(2)
N1 C9 N3 C10 . 7_575 -59.01(14)
N1 C9 N3 C10 . . 59.01(14)
N2 C10 N3 C9 . . -59.2(2)
N2 C10 N3 C10 . 7_575 59.0(2)
