#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:26:16 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179790 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/86/7008615.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_7008615
loop_
_publ_author_name
'Xiao, Nu'
'Xu, Qiang'
'Sun, Jie'
'Chen, Jiabi'
_publ_section_title
;
 Synthesis, structure and reactivity of novel pyridazine-coordinated
 diiron bridging carbene complexes.
;
_journal_issue                   19
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3250
_journal_page_last               3258
_journal_paper_doi               10.1039/b505141j
_journal_year                    2005
_chemical_formula_sum            'C18 H12 Cl2 Fe2 N2 O6'
_chemical_formula_weight         534.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.427(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.213(3)
_cell_length_b                   10.709(2)
_cell_length_c                   15.898(3)
_cell_measurement_reflns_used    1053
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.516
_cell_measurement_theta_min      4.665
_cell_volume                     2134.2(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.2321
_diffrn_reflns_av_sigmaI/netI    0.2173
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10893
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58850
_exptl_absorpt_correction_type   sadabs
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.235
_exptl_crystal_size_mid          0.204
_exptl_crystal_size_min          0.024
_refine_diff_density_max         0.652
_refine_diff_density_min         -0.851
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.0011(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.829
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     276
_refine_ls_number_reflns         3967
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.829
_refine_ls_R_factor_all          0.1506
_refine_ls_R_factor_gt           0.0754
_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)+(0.0583P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1680
_refine_ls_wR_factor_ref         0.1952
_reflns_number_gt                1670
_reflns_number_total             3967
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505141j-267650.txt
_cod_data_source_block           cd23246
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7008615
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.69589(9) 0.78800(10) 0.03738(7) 0.0441(4) Uani 1 1 d . . .
Fe2 Fe 0.77336(9) 0.90963(10) 0.17879(8) 0.0458(4) Uani 1 1 d . . .
Cl1 Cl 0.3297(3) 0.2335(3) 0.5104(2) 0.1191(12) Uani 1 1 d . . .
Cl2 Cl 0.2771(2) 0.3939(3) 0.3584(2) 0.1027(11) Uani 1 1 d . . .
N1 N 0.5979(5) 0.7702(5) 0.1076(4) 0.0396(16) Uani 1 1 d . . .
N2 N 0.6395(5) 0.8334(6) 0.1836(4) 0.0453(17) Uani 1 1 d . . .
O1 O 0.8668(5) 0.8232(7) -0.0386(5) 0.078(2) Uani 1 1 d . . .
O2 O 0.6375(6) 0.5584(7) -0.0665(5) 0.087(2) Uani 1 1 d . . .
O3 O 0.5626(5) 0.9891(6) -0.0727(4) 0.0753(19) Uani 1 1 d . . .
O4 O 0.9621(5) 0.9973(6) 0.1400(5) 0.083(2) Uani 1 1 d . . .
O5 O 0.8730(6) 0.9365(5) 0.3689(5) 0.077(2) Uani 1 1 d . . .
O6 O 0.6662(5) 1.1516(6) 0.1211(4) 0.0738(19) Uani 1 1 d . . .
C1 C 0.8056(7) 0.7348(7) 0.1517(5) 0.047(2) Uani 1 1 d D . .
C2 C 0.8002(8) 0.8124(7) -0.0079(5) 0.050(2) Uani 1 1 d . . .
C3 C 0.6588(7) 0.6484(9) -0.0252(5) 0.055(2) Uani 1 1 d . . .
C4 C 0.6122(7) 0.9092(8) -0.0308(6) 0.048(2) Uani 1 1 d . . .
C5 C 0.8883(8) 0.9622(8) 0.1541(6) 0.056(2) Uani 1 1 d . . .
C6 C 0.8326(7) 0.9228(7) 0.2948(6) 0.053(2) Uani 1 1 d . . .
C7 C 0.7084(7) 1.0583(8) 0.1451(6) 0.055(2) Uani 1 1 d . . .
C8 C 0.9133(7) 0.6755(7) 0.1629(5) 0.044(2) Uani 1 1 d . . .
C9 C 1.0024(8) 0.7085(8) 0.2325(6) 0.060(2) Uani 1 1 d . . .
H2 H 0.9966 0.7696 0.2724 0.072 Uiso 1 1 calc R . .
C10 C 1.1022(8) 0.6505(10) 0.2441(7) 0.072(3) Uani 1 1 d . . .
H3 H 1.1611 0.6736 0.2915 0.087 Uiso 1 1 calc R . .
C11 C 1.1129(8) 0.5620(10) 0.1868(7) 0.072(3) Uani 1 1 d . . .
H4 H 1.1791 0.5266 0.1927 0.087 Uiso 1 1 calc R . .
C12 C 1.0228(9) 0.5253(9) 0.1191(7) 0.074(3) Uani 1 1 d . . .
H5 H 1.0284 0.4607 0.0817 0.089 Uiso 1 1 calc R . .
C13 C 0.9252(7) 0.5818(8) 0.1055(6) 0.057(2) Uani 1 1 d . . .
H6 H 0.8669 0.5574 0.0580 0.069 Uiso 1 1 calc R . .
C14 C 0.5052(7) 0.7089(8) 0.0920(6) 0.056(2) Uani 1 1 d . . .
H7 H 0.4753 0.6684 0.0381 0.067 Uiso 1 1 calc R . .
C15 C 0.4532(7) 0.7055(9) 0.1559(7) 0.064(3) Uani 1 1 d . . .
H8 H 0.3918 0.6582 0.1471 0.077 Uiso 1 1 calc R . .
C16 C 0.4952(8) 0.7741(8) 0.2324(7) 0.064(3) Uani 1 1 d . . .
H9 H 0.4609 0.7778 0.2752 0.077 Uiso 1 1 calc R . .
C17 C 0.5912(7) 0.8380(8) 0.2438(6) 0.056(2) Uani 1 1 d . . .
H10 H 0.6210 0.8845 0.2950 0.068 Uiso 1 1 calc R . .
C18 C 0.3783(8) 0.3278(9) 0.4440(7) 0.080(3) Uani 1 1 d . . .
H12 H 0.4238 0.2788 0.4193 0.096 Uiso 1 1 calc R . .
H11 H 0.4213 0.3937 0.4798 0.096 Uiso 1 1 calc R . .
H1 H 0.786(5) 0.675(5) 0.189(4) 0.04(2) 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'
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
_geom_angle_publ_flag
C2 Fe1 C3 90.5(4) . . ?
C2 Fe1 C4 93.3(4) . . ?
C3 Fe1 C4 105.0(4) . . ?
C2 Fe1 N1 169.9(3) . . ?
C3 Fe1 N1 97.0(3) . . ?
C4 Fe1 N1 91.2(3) . . ?
C2 Fe1 C1 88.7(4) . . ?
C3 Fe1 C1 105.0(4) . . ?
C4 Fe1 C1 149.9(3) . . ?
N1 Fe1 C1 82.8(3) . . ?
C2 Fe1 Fe2 97.9(3) . . ?
C3 Fe1 Fe2 153.8(3) . . ?
C4 Fe1 Fe2 99.3(3) . . ?
N1 Fe1 Fe2 72.43(18) . . ?
C1 Fe1 Fe2 50.8(2) . . ?
C6 Fe2 C5 94.4(4) . . ?
C6 Fe2 C7 104.6(4) . . ?
C5 Fe2 C7 90.8(4) . . ?
C6 Fe2 N2 95.7(4) . . ?
C5 Fe2 N2 168.6(3) . . ?
C7 Fe2 N2 91.6(3) . . ?
C6 Fe2 C1 104.2(4) . . ?
C5 Fe2 C1 89.6(4) . . ?
C7 Fe2 C1 151.1(4) . . ?
N2 Fe2 C1 82.9(3) . . ?
C6 Fe2 Fe1 153.4(3) . . ?
C5 Fe2 Fe1 95.8(3) . . ?
C7 Fe2 Fe1 99.8(3) . . ?
N2 Fe2 Fe1 72.79(19) . . ?
C1 Fe2 Fe1 51.5(2) . . ?
N2 N1 C14 120.3(7) . . ?
N2 N1 Fe1 107.8(5) . . ?
C14 N1 Fe1 131.9(6) . . ?
C17 N2 N1 121.4(7) . . ?
C17 N2 Fe2 131.6(6) . . ?
N1 N2 Fe2 106.9(5) . . ?
C8 C1 Fe2 128.6(6) . . ?
C8 C1 Fe1 127.2(6) . . ?
Fe2 C1 Fe1 77.7(3) . . ?
C8 C1 H1 94(4) . . ?
Fe2 C1 H1 112(4) . . ?
Fe1 C1 H1 119(4) . . ?
O1 C2 Fe1 177.1(8) . . ?
O2 C3 Fe1 177.9(9) . . ?
O3 C4 Fe1 177.2(8) . . ?
O4 C5 Fe2 178.5(9) . . ?
O5 C6 Fe2 176.7(8) . . ?
O6 C7 Fe2 178.0(8) . . ?
C9 C8 C13 117.6(8) . . ?
C9 C8 C1 121.0(7) . . ?
C13 C8 C1 121.3(8) . . ?
C8 C9 C10 120.9(9) . . ?
C8 C9 H2 119.6 . . ?
C10 C9 H2 119.6 . . ?
C11 C10 C9 120.8(10) . . ?
C11 C10 H3 119.6 . . ?
C9 C10 H3 119.6 . . ?
C10 C11 C12 118.4(10) . . ?
C10 C11 H4 120.8 . . ?
C12 C11 H4 120.8 . . ?
C13 C12 C11 121.9(9) . . ?
C13 C12 H5 119.0 . . ?
C11 C12 H5 119.0 . . ?
C12 C13 C8 120.4(9) . . ?
C12 C13 H6 119.8 . . ?
C8 C13 H6 119.8 . . ?
N1 C14 C15 120.6(8) . . ?
N1 C14 H7 119.7 . . ?
C15 C14 H7 119.7 . . ?
C16 C15 C14 118.4(9) . . ?
C16 C15 H8 120.8 . . ?
C14 C15 H8 120.8 . . ?
C15 C16 C17 118.0(9) . . ?
C15 C16 H9 121.0 . . ?
C17 C16 H9 121.0 . . ?
N2 C17 C16 121.2(9) . . ?
N2 C17 H10 119.4 . . ?
C16 C17 H10 119.4 . . ?
Cl1 C18 Cl2 112.1(6) . . ?
Cl1 C18 H12 109.2 . . ?
Cl2 C18 H12 109.2 . . ?
Cl1 C18 H11 109.2 . . ?
Cl2 C18 H11 109.2 . . ?
H12 C18 H11 107.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 C2 1.764(10) . ?
Fe1 C3 1.777(9) . ?
Fe1 C4 1.823(9) . ?
Fe1 N1 1.968(6) . ?
Fe1 C1 2.016(8) . ?
Fe1 Fe2 2.5186(16) . ?
Fe2 C6 1.766(9) . ?
Fe2 C5 1.776(10) . ?
Fe2 C7 1.808(10) . ?
Fe2 N2 1.971(7) . ?
Fe2 C1 1.997(8) . ?
Cl1 C18 1.725(11) . ?
Cl2 C18 1.729(9) . ?
N1 N2 1.341(8) . ?
N1 C14 1.342(10) . ?
N2 C17 1.308(10) . ?
O1 C2 1.139(10) . ?
O2 C3 1.150(9) . ?
O3 C4 1.153(9) . ?
O4 C5 1.132(9) . ?
O5 C6 1.139(9) . ?
O6 C7 1.149(9) . ?
C1 C8 1.517(11) . ?
C1 H1 0.96(2) . ?
C8 C9 1.383(11) . ?
C8 C13 1.397(11) . ?
C9 C10 1.417(12) . ?
C9 H2 0.9300 . ?
C10 C11 1.352(14) . ?
C10 H3 0.9300 . ?
C11 C12 1.385(13) . ?
C11 H4 0.9300 . ?
C12 C13 1.379(11) . ?
C12 H5 0.9300 . ?
C13 H6 0.9300 . ?
C14 C15 1.395(12) . ?
C14 H7 0.9300 . ?
C15 C16 1.378(12) . ?
C15 H8 0.9300 . ?
C16 C17 1.401(12) . ?
C16 H9 0.9300 . ?
C17 H10 0.9300 . ?
C18 H12 0.9700 . ?
C18 H11 0.9700 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C2 Fe1 Fe2 C6 -109.1(7) . . . . ?
C3 Fe1 Fe2 C6 -1.4(10) . . . . ?
C4 Fe1 Fe2 C6 156.2(7) . . . . ?
N1 Fe1 Fe2 C6 67.9(7) . . . . ?
C1 Fe1 Fe2 C6 -27.3(8) . . . . ?
C2 Fe1 Fe2 C5 3.1(4) . . . . ?
C3 Fe1 Fe2 C5 110.8(7) . . . . ?
C4 Fe1 Fe2 C5 -91.6(4) . . . . ?
N1 Fe1 Fe2 C5 -180.0(3) . . . . ?
C1 Fe1 Fe2 C5 84.9(4) . . . . ?
C2 Fe1 Fe2 C7 95.0(4) . . . . ?
C3 Fe1 Fe2 C7 -157.4(7) . . . . ?
C4 Fe1 Fe2 C7 0.2(4) . . . . ?
N1 Fe1 Fe2 C7 -88.1(3) . . . . ?
C1 Fe1 Fe2 C7 176.7(4) . . . . ?
C2 Fe1 Fe2 N2 -176.4(3) . . . . ?
C3 Fe1 Fe2 N2 -68.7(7) . . . . ?
C4 Fe1 Fe2 N2 88.9(3) . . . . ?
N1 Fe1 Fe2 N2 0.5(3) . . . . ?
C1 Fe1 Fe2 N2 -94.6(4) . . . . ?
C2 Fe1 Fe2 C1 -81.8(4) . . . . ?
C3 Fe1 Fe2 C1 25.9(8) . . . . ?
C4 Fe1 Fe2 C1 -176.5(4) . . . . ?
N1 Fe1 Fe2 C1 95.1(4) . . . . ?
C2 Fe1 N1 N2 17(2) . . . . ?
C3 Fe1 N1 N2 154.6(5) . . . . ?
C4 Fe1 N1 N2 -100.1(5) . . . . ?
C1 Fe1 N1 N2 50.3(5) . . . . ?
Fe2 Fe1 N1 N2 -0.8(4) . . . . ?
C2 Fe1 N1 C14 -162.6(17) . . . . ?
C3 Fe1 N1 C14 -24.8(7) . . . . ?
C4 Fe1 N1 C14 80.4(7) . . . . ?
C1 Fe1 N1 C14 -129.2(7) . . . . ?
Fe2 Fe1 N1 C14 179.8(7) . . . . ?
C14 N1 N2 C17 -0.4(11) . . . . ?
Fe1 N1 N2 C17 -180.0(6) . . . . ?
C14 N1 N2 Fe2 -179.5(5) . . . . ?
Fe1 N1 N2 Fe2 1.0(5) . . . . ?
C6 Fe2 N2 C17 24.9(8) . . . . ?
C5 Fe2 N2 C17 177.8(15) . . . . ?
C7 Fe2 N2 C17 -79.9(8) . . . . ?
C1 Fe2 N2 C17 128.5(8) . . . . ?
Fe1 Fe2 N2 C17 -179.7(8) . . . . ?
C6 Fe2 N2 N1 -156.2(5) . . . . ?
C5 Fe2 N2 N1 -3.3(19) . . . . ?
C7 Fe2 N2 N1 98.9(5) . . . . ?
C1 Fe2 N2 N1 -52.6(5) . . . . ?
Fe1 Fe2 N2 N1 -0.8(4) . . . . ?
C6 Fe2 C1 C8 -64.1(8) . . . . ?
C5 Fe2 C1 C8 30.4(8) . . . . ?
C7 Fe2 C1 C8 121.5(9) . . . . ?
N2 Fe2 C1 C8 -158.2(8) . . . . ?
Fe1 Fe2 C1 C8 128.1(8) . . . . ?
C6 Fe2 C1 Fe1 167.8(3) . . . . ?
C5 Fe2 C1 Fe1 -97.7(3) . . . . ?
C7 Fe2 C1 Fe1 -6.7(9) . . . . ?
N2 Fe2 C1 Fe1 73.7(3) . . . . ?
C2 Fe1 C1 C8 -28.2(7) . . . . ?
C3 Fe1 C1 C8 62.0(8) . . . . ?
C4 Fe1 C1 C8 -122.6(8) . . . . ?
N1 Fe1 C1 C8 157.3(7) . . . . ?
Fe2 Fe1 C1 C8 -129.5(8) . . . . ?
C2 Fe1 C1 Fe2 101.3(3) . . . . ?
C3 Fe1 C1 Fe2 -168.5(3) . . . . ?
C4 Fe1 C1 Fe2 6.9(8) . . . . ?
N1 Fe1 C1 Fe2 -73.1(3) . . . . ?
C3 Fe1 C2 O1 -10(16) . . . . ?
C4 Fe1 C2 O1 -115(16) . . . . ?
N1 Fe1 C2 O1 128(15) . . . . ?
C1 Fe1 C2 O1 95(16) . . . . ?
Fe2 Fe1 C2 O1 145(16) . . . . ?
C2 Fe1 C3 O2 5(24) . . . . ?
C4 Fe1 C3 O2 99(24) . . . . ?
N1 Fe1 C3 O2 -168(24) . . . . ?
C1 Fe1 C3 O2 -83(24) . . . . ?
Fe2 Fe1 C3 O2 -104(24) . . . . ?
C2 Fe1 C4 O3 -52(16) . . . . ?
C3 Fe1 C4 O3 -143(16) . . . . ?
N1 Fe1 C4 O3 119(16) . . . . ?
C1 Fe1 C4 O3 41(16) . . . . ?
Fe2 Fe1 C4 O3 47(16) . . . . ?
C6 Fe2 C5 O4 -33(34) . . . . ?
C7 Fe2 C5 O4 72(34) . . . . ?
N2 Fe2 C5 O4 174(100) . . . . ?
C1 Fe2 C5 O4 -137(34) . . . . ?
Fe1 Fe2 C5 O4 172(34) . . . . ?
C5 Fe2 C6 O5 40(15) . . . . ?
C7 Fe2 C6 O5 -52(15) . . . . ?
N2 Fe2 C6 O5 -145(15) . . . . ?
C1 Fe2 C6 O5 131(15) . . . . ?
Fe1 Fe2 C6 O5 153(15) . . . . ?
C6 Fe2 C7 O6 179(100) . . . . ?
C5 Fe2 C7 O6 84(23) . . . . ?
N2 Fe2 C7 O6 -85(23) . . . . ?
C1 Fe2 C7 O6 -7(24) . . . . ?
Fe1 Fe2 C7 O6 -12(23) . . . . ?
Fe2 C1 C8 C9 35.0(11) . . . . ?
Fe1 C1 C8 C9 140.4(7) . . . . ?
Fe2 C1 C8 C13 -147.8(7) . . . . ?
Fe1 C1 C8 C13 -42.5(11) . . . . ?
C13 C8 C9 C10 1.1(12) . . . . ?
C1 C8 C9 C10 178.3(8) . . . . ?
C8 C9 C10 C11 0.4(14) . . . . ?
C9 C10 C11 C12 -2.9(15) . . . . ?
C10 C11 C12 C13 4.1(15) . . . . ?
C11 C12 C13 C8 -2.7(14) . . . . ?
C9 C8 C13 C12 0.0(12) . . . . ?
C1 C8 C13 C12 -177.2(8) . . . . ?
N2 N1 C14 C15 -2.8(11) . . . . ?
Fe1 N1 C14 C15 176.5(6) . . . . ?
N1 C14 C15 C16 4.7(13) . . . . ?
C14 C15 C16 C17 -3.4(13) . . . . ?
N1 N2 C17 C16 1.7(12) . . . . ?
Fe2 N2 C17 C16 -179.5(6) . . . . ?
C15 C16 C17 N2 0.3(13) . . . . ?
