#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:29:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180301 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/15/7151520.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_7151520
loop_
_publ_author_name
'Anderson, James C.'
'Blake, Alexander J.'
'Arnall-Culliford, Jennifer C.'
_publ_section_title
;
 Synthesis of planar chiral ferrocenyl 1,3-diamines and 1,3-amino
 ethers
;
_journal_issue                   20
_journal_name_full               'Organic &  Biomolecular Chemistry'
_journal_page_first              3586
_journal_paper_doi               10.1039/b307014j
_journal_volume                  1
_journal_year                    2003
_chemical_formula_moiety         'C28 H36 Fe2 N2'
_chemical_formula_sum            'C28 H36 Fe2 N2'
_chemical_formula_weight         512.29
_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   'geometrically placed, Me from deltaF'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.199(4)
_cell_angle_beta                 100.115(4)
_cell_angle_gamma                112.747(3)
_cell_formula_units_Z            2
_cell_length_a                   10.517(4)
_cell_length_b                   10.678(4)
_cell_length_c                   12.532(5)
_cell_measurement_reflns_used    901
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.45
_cell_measurement_theta_min      2.20
_cell_volume                     1199.3(8)
_computing_cell_refinement       'Bruker SAINT v6.02'
_computing_data_collection       'Bruker SMART v5.054'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material
'Bruker SHELXTL; enCIFer (CCDC, 2003); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_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            10242
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.81
_diffrn_reflns_theta_min         1.76
_diffrn_source                   'normal-focus sealed tube'
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.228
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker (1999)'
_exptl_crystal_colour            orange-brown
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.32
_refine_diff_density_rms         0.06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    'riding model, Me rigid rotating group'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         5358
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0261
_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)+(0.033P)²+0.567P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                4515
_reflns_number_total             5358
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307014j.txt
_cod_data_source_block           FCDMAM
_cod_original_cell_volume        1199.3(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7151520
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.97301(3) 0.28448(2) 0.18847(2) 0.01789(7) Uani 1 1 d . . .
Fe2 Fe 0.58674(2) 0.21729(2) 0.31806(2) 0.01630(7) Uani 1 1 d . . .
C1C C 1.0913(3) 0.4387(2) 0.1301(2) 0.0421(5) Uani 1 1 d . . .
H1C H 1.1031 0.4225 0.0512 0.051 Uiso 1 1 calc R . .
C2C C 1.1812(2) 0.4366(2) 0.2273(2) 0.0456(6) Uani 1 1 d . . .
H2C H 1.2676 0.4181 0.2294 0.055 Uiso 1 1 calc R . .
C3C C 1.1273(2) 0.4666(2) 0.32115(19) 0.0396(5) Uani 1 1 d . . .
H3C H 1.1684 0.4714 0.4012 0.047 Uiso 1 1 calc R . .
C4C C 1.0051(2) 0.48667(19) 0.28246(19) 0.0354(5) Uani 1 1 d . . .
H4C H 0.9443 0.5085 0.3301 0.042 Uiso 1 1 calc R . .
C5C C 0.9832(2) 0.4701(2) 0.16513(19) 0.0372(5) Uani 1 1 d . . .
H5C H 0.9041 0.4787 0.1148 0.045 Uiso 1 1 calc R . .
C6C C 0.3917(2) 0.2174(2) 0.26234(16) 0.0259(4) Uani 1 1 d . . .
H6C H 0.2952 0.1428 0.2579 0.031 Uiso 1 1 calc R . .
C7C C 0.4863(2) 0.3440(2) 0.35881(17) 0.0292(4) Uani 1 1 d . . .
H7C H 0.4680 0.3742 0.4344 0.035 Uiso 1 1 calc R . .
C8C C 0.6118(2) 0.41999(19) 0.32997(17) 0.0292(4) Uani 1 1 d . . .
H8C H 0.6970 0.5130 0.3815 0.035 Uiso 1 1 calc R . .
C9C C 0.5953(2) 0.3411(2) 0.21533(16) 0.0267(4) Uani 1 1 d . . .
H9C H 0.6668 0.3684 0.1719 0.032 Uiso 1 1 calc R . .
C10C C 0.45876(19) 0.21548(19) 0.17312(16) 0.0244(4) Uani 1 1 d . . .
H10C H 0.4180 0.1390 0.0949 0.029 Uiso 1 1 calc R . .
C1 C 0.80754(17) 0.12349(16) 0.21490(14) 0.0157(3) Uani 1 1 d . . .
C2 C 0.93097(17) 0.09586(17) 0.22725(14) 0.0166(3) Uani 1 1 d . . .
C3 C 0.96818(18) 0.08749(18) 0.12260(14) 0.0192(3) Uani 1 1 d . . .
H3 H 1.0512 0.0707 0.1066 0.023 Uiso 1 1 calc R . .
C4 C 0.86649(18) 0.10524(18) 0.04429(14) 0.0201(3) Uani 1 1 d . . .
H4 H 0.8646 0.1017 -0.0365 0.024 Uiso 1 1 calc R . .
C5 C 0.76698(17) 0.12771(17) 0.10111(14) 0.0181(3) Uani 1 1 d . . .
H5 H 0.6834 0.1437 0.0674 0.022 Uiso 1 1 calc R . .
C6 C 0.99586(18) 0.05928(18) 0.32614(14) 0.0193(3) Uani 1 1 d . . .
H6 H 0.9161 0.0080 0.3561 0.023 Uiso 1 1 calc R . .
C7 C 1.1106(2) 0.1938(2) 0.42595(15) 0.0263(4) Uani 1 1 d . . .
H7A H 1.1423 0.1654 0.4905 0.039 Uiso 1 1 calc R . .
H7B H 1.0695 0.2600 0.4510 0.039 Uiso 1 1 calc R . .
H7D H 1.1935 0.2422 0.4004 0.039 Uiso 1 1 calc R . .
N8 N 1.05360(16) -0.04219(16) 0.28059(13) 0.0227(3) Uani 1 1 d . . .
C9 C 0.9356(2) -0.1812(2) 0.20239(18) 0.0321(4) Uani 1 1 d . . .
H9A H 0.9757 -0.2435 0.1666 0.048 Uiso 1 1 calc R . .
H9B H 0.8766 -0.1654 0.1422 0.048 Uiso 1 1 calc R . .
H9C H 0.8752 -0.2279 0.2460 0.048 Uiso 1 1 calc R . .
C10 C 1.1347(2) -0.0692(2) 0.37207(18) 0.0326(4) Uani 1 1 d . . .
H10A H 1.0754 -0.0993 0.4218 0.049 Uiso 1 1 calc R . .
H10B H 1.2235 0.0194 0.4182 0.049 Uiso 1 1 calc R . .
H10D H 1.1597 -0.1460 0.3376 0.049 Uiso 1 1 calc R . .
C11 C 0.72889(17) 0.13045(17) 0.30103(13) 0.0155(3) Uani 1 1 d . . .
C12 C 0.58880(17) 0.02000(17) 0.28787(14) 0.0163(3) Uani 1 1 d . . .
C13 C 0.55289(18) 0.06127(18) 0.39140(14) 0.0187(3) Uani 1 1 d . . .
H13 H 0.4613 0.0057 0.4070 0.022 Uiso 1 1 calc R . .
C14 C 0.66895(18) 0.19503(18) 0.46827(14) 0.0201(3) Uani 1 1 d . . .
H14 H 0.6734 0.2495 0.5472 0.024 Uiso 1 1 calc R . .
C15 C 0.77780(18) 0.23813(17) 0.41272(14) 0.0181(3) Uani 1 1 d . . .
H15 H 0.8716 0.3285 0.4458 0.022 Uiso 1 1 calc R . .
C16 C 0.50555(18) -0.12050(17) 0.18847(14) 0.0185(3) Uani 1 1 d . . .
H16 H 0.5170 -0.0981 0.1168 0.022 Uiso 1 1 calc R . .
C17 C 0.34305(18) -0.18895(19) 0.17431(16) 0.0260(4) Uani 1 1 d . . .
H17A H 0.2917 -0.2707 0.1013 0.039 Uiso 1 1 calc R . .
H17B H 0.3074 -0.1167 0.1739 0.039 Uiso 1 1 calc R . .
H17C H 0.3262 -0.2232 0.2387 0.039 Uiso 1 1 calc R . .
N18 N 0.57649(16) -0.21378(15) 0.20128(13) 0.0218(3) Uani 1 1 d . . .
C19 C 0.5238(2) -0.3405(2) 0.09824(17) 0.0360(5) Uani 1 1 d . . .
H19A H 0.5822 -0.3921 0.1073 0.054 Uiso 1 1 calc R . .
H19B H 0.5313 -0.3101 0.0310 0.054 Uiso 1 1 calc R . .
H19C H 0.4225 -0.4047 0.0871 0.054 Uiso 1 1 calc R . .
C20 C 0.5705(2) -0.2558(2) 0.30288(16) 0.0297(4) Uani 1 1 d . . .
H20A H 0.4701 -0.3196 0.2945 0.045 Uiso 1 1 calc R . .
H20B H 0.6080 -0.1692 0.3716 0.045 Uiso 1 1 calc R . .
H20C H 0.6294 -0.3070 0.3110 0.045 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'
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
C4 Fe1 C1C 103.38(9) . . ?
C4 Fe1 C2C 125.10(9) . . ?
C1C Fe1 C2C 40.72(10) . . ?
C4 Fe1 C5 41.02(7) . . ?
C1C Fe1 C5 124.82(9) . . ?
C2C Fe1 C5 163.00(9) . . ?
C4 Fe1 C5C 114.72(8) . . ?
C1C Fe1 C5C 40.62(10) . . ?
C2C Fe1 C5C 68.11(9) . . ?
C5 Fe1 C5C 106.46(8) . . ?
C4 Fe1 C3 40.91(7) . . ?
C1C Fe1 C3 115.01(8) . . ?
C2C Fe1 C3 107.01(8) . . ?
C5 Fe1 C3 68.68(7) . . ?
C5C Fe1 C3 148.47(8) . . ?
C4 Fe1 C3C 164.83(9) . . ?
C1C Fe1 C3C 68.01(10) . . ?
C2C Fe1 C3C 40.41(10) . . ?
C5 Fe1 C3C 154.13(9) . . ?
C5C Fe1 C3C 67.50(9) . . ?
C3 Fe1 C3C 129.94(8) . . ?
C4 Fe1 C4C 149.95(8) . . ?
C1C Fe1 C4C 68.03(9) . . ?
C2C Fe1 C4C 67.95(9) . . ?
C5 Fe1 C4C 119.03(8) . . ?
C5C Fe1 C4C 40.10(9) . . ?
C3 Fe1 C4C 169.07(8) . . ?
C3C Fe1 C4C 40.11(9) . . ?
C4 Fe1 C1 68.79(7) . . ?
C1C Fe1 C1 164.64(9) . . ?
C2C Fe1 C1 154.49(9) . . ?
C5 Fe1 C1 40.83(6) . . ?
C5C Fe1 C1 129.29(8) . . ?
C3 Fe1 C1 68.32(7) . . ?
C3C Fe1 C1 122.47(8) . . ?
C4C Fe1 C1 111.75(8) . . ?
C4 Fe1 C2 68.33(7) . . ?
C1C Fe1 C2 150.66(9) . . ?
C2C Fe1 C2 119.93(8) . . ?
C5 Fe1 C2 68.17(7) . . ?
C5C Fe1 C2 168.66(8) . . ?
C3 Fe1 C2 40.38(7) . . ?
C3C Fe1 C2 112.67(8) . . ?
C4C Fe1 C2 132.73(8) . . ?
C1 Fe1 C2 40.29(6) . . ?
C14 Fe2 C13 40.83(7) . . ?
C14 Fe2 C8C 115.73(7) . . ?
C13 Fe2 C8C 148.74(8) . . ?
C14 Fe2 C7C 106.01(8) . . ?
C13 Fe2 C7C 115.61(8) . . ?
C8C Fe2 C7C 40.70(8) . . ?
C14 Fe2 C15 40.91(6) . . ?
C13 Fe2 C15 68.71(7) . . ?
C8C Fe2 C15 107.59(7) . . ?
C7C Fe2 C15 127.80(7) . . ?
C14 Fe2 C6C 127.38(7) . . ?
C13 Fe2 C6C 107.17(7) . . ?
C8C Fe2 C6C 68.52(8) . . ?
C7C Fe2 C6C 40.64(8) . . ?
C15 Fe2 C6C 165.94(7) . . ?
C14 Fe2 C9C 149.92(7) . . ?
C13 Fe2 C9C 168.87(7) . . ?
C8C Fe2 C9C 40.55(8) . . ?
C7C Fe2 C9C 68.30(8) . . ?
C15 Fe2 C9C 118.00(7) . . ?
C6C Fe2 C9C 68.48(7) . . ?
C14 Fe2 C10C 166.67(7) . . ?
C13 Fe2 C10C 129.50(7) . . ?
C8C Fe2 C10C 68.36(7) . . ?
C7C Fe2 C10C 68.24(8) . . ?
C15 Fe2 C10C 151.99(7) . . ?
C6C Fe2 C10C 40.61(7) . . ?
C9C Fe2 C10C 40.72(7) . . ?
C14 Fe2 C11 68.84(7) . . ?
C13 Fe2 C11 68.75(7) . . ?
C8C Fe2 C11 129.77(7) . . ?
C7C Fe2 C11 167.16(7) . . ?
C15 Fe2 C11 40.82(6) . . ?
C6C Fe2 C11 151.68(7) . . ?
C9C Fe2 C11 109.88(7) . . ?
C10C Fe2 C11 119.30(7) . . ?
C14 Fe2 C12 68.81(7) . . ?
C13 Fe2 C12 40.83(7) . . ?
C8C Fe2 C12 169.02(7) . . ?
C7C Fe2 C12 149.67(7) . . ?
C15 Fe2 C12 68.76(6) . . ?
C6C Fe2 C12 117.54(7) . . ?
C9C Fe2 C12 131.04(7) . . ?
C10C Fe2 C12 109.66(7) . . ?
C11 Fe2 C12 40.90(6) . . ?
C5C C1C C2C 107.7(2) . . ?
C5C C1C Fe1 70.04(12) . . ?
C2C C1C Fe1 69.97(12) . . ?
C3C C2C C1C 107.6(2) . . ?
C3C C2C Fe1 70.25(12) . . ?
C1C C2C Fe1 69.31(12) . . ?
C4C C3C C2C 108.4(2) . . ?
C4C C3C Fe1 70.01(11) . . ?
C2C C3C Fe1 69.34(12) . . ?
C5C C4C C3C 107.9(2) . . ?
C5C C4C Fe1 69.45(11) . . ?
C3C C4C Fe1 69.88(11) . . ?
C4C C5C C1C 108.4(2) . . ?
C4C C5C Fe1 70.45(11) . . ?
C1C C5C Fe1 69.34(11) . . ?
C7C C6C C10C 107.73(17) . . ?
C7C C6C Fe2 69.39(10) . . ?
C10C C6C Fe2 69.88(10) . . ?
C8C C7C C6C 108.34(17) . . ?
C8C C7C Fe2 69.65(11) . . ?
C6C C7C Fe2 69.97(10) . . ?
C9C C8C C7C 108.07(17) . . ?
C9C C8C Fe2 70.05(10) . . ?
C7C C8C Fe2 69.65(10) . . ?
C8C C9C C10C 107.90(17) . . ?
C8C C9C Fe2 69.39(11) . . ?
C10C C9C Fe2 69.80(10) . . ?
C6C C10C C9C 107.96(17) . . ?
C6C C10C Fe2 69.51(10) . . ?
C9C C10C Fe2 69.49(10) . . ?
C2 C1 C5 107.84(14) . . ?
C2 C1 C11 124.96(14) . . ?
C5 C1 C11 126.91(14) . . ?
C2 C1 Fe1 70.71(9) . . ?
C5 C1 Fe1 68.64(9) . . ?
C11 C1 Fe1 130.96(11) . . ?
C3 C2 C1 107.65(14) . . ?
C3 C2 C6 125.88(15) . . ?
C1 C2 C6 125.86(14) . . ?
C3 C2 Fe1 68.02(9) . . ?
C1 C2 Fe1 69.01(9) . . ?
C6 C2 Fe1 135.27(11) . . ?
C4 C3 C2 108.60(15) . . ?
C4 C3 Fe1 69.15(9) . . ?
C2 C3 Fe1 71.59(9) . . ?
C3 C4 C5 107.81(15) . . ?
C3 C4 Fe1 69.94(10) . . ?
C5 C4 Fe1 69.87(10) . . ?
C4 C5 C1 108.07(14) . . ?
C4 C5 Fe1 69.11(10) . . ?
C1 C5 Fe1 70.52(9) . . ?
N8 C6 C2 108.66(13) . . ?
N8 C6 C7 112.02(14) . . ?
C2 C6 C7 112.51(14) . . ?
C10 N8 C9 107.93(15) . . ?
C10 N8 C6 112.53(14) . . ?
C9 N8 C6 110.37(14) . . ?
C15 C11 C12 107.76(14) . . ?
C15 C11 C1 128.01(14) . . ?
C12 C11 C1 124.11(14) . . ?
C15 C11 Fe2 69.17(9) . . ?
C12 C11 Fe2 69.56(9) . . ?
C1 C11 Fe2 129.77(11) . . ?
C13 C12 C11 107.57(14) . . ?
C13 C12 C16 126.90(15) . . ?
C11 C12 C16 125.17(14) . . ?
C13 C12 Fe2 68.90(9) . . ?
C11 C12 Fe2 69.54(9) . . ?
C16 C12 Fe2 132.26(11) . . ?
C14 C13 C12 108.54(15) . . ?
C14 C13 Fe2 69.58(10) . . ?
C12 C13 Fe2 70.27(9) . . ?
C13 C14 C15 107.96(14) . . ?
C13 C14 Fe2 69.59(10) . . ?
C15 C14 Fe2 69.80(10) . . ?
C14 C15 C11 108.18(14) . . ?
C14 C15 Fe2 69.29(10) . . ?
C11 C15 Fe2 70.01(9) . . ?
N18 C16 C12 107.83(13) . . ?
N18 C16 C17 115.23(14) . . ?
C12 C16 C17 112.62(14) . . ?
C20 N18 C19 110.50(15) . . ?
C20 N18 C16 113.99(14) . . ?
C19 N18 C16 112.61(15) . . ?
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 C4 2.0291(18) . ?
Fe1 C1C 2.030(2) . ?
Fe1 C2C 2.039(2) . ?
Fe1 C5 2.0393(17) . ?
Fe1 C5C 2.039(2) . ?
Fe1 C3 2.0396(18) . ?
Fe1 C3C 2.051(2) . ?
Fe1 C4C 2.052(2) . ?
Fe1 C1 2.0643(17) . ?
Fe1 C2 2.0869(18) . ?
Fe2 C14 2.0382(18) . ?
Fe2 C13 2.0383(17) . ?
Fe2 C8C 2.0403(19) . ?
Fe2 C7C 2.0404(18) . ?
Fe2 C15 2.0451(18) . ?
Fe2 C6C 2.0481(19) . ?
Fe2 C9C 2.0490(19) . ?
Fe2 C10C 2.0531(18) . ?
Fe2 C11 2.0562(17) . ?
Fe2 C12 2.0565(18) . ?
C1C C5C 1.413(3) . ?
C1C C2C 1.416(3) . ?
C2C C3C 1.412(3) . ?
C3C C4C 1.407(3) . ?
C4C C5C 1.403(3) . ?
C6C C7C 1.420(3) . ?
C6C C10C 1.423(3) . ?
C7C C8C 1.419(3) . ?
C8C C9C 1.417(3) . ?
C9C C10C 1.427(3) . ?
C1 C2 1.430(2) . ?
C1 C5 1.432(2) . ?
C1 C11 1.475(2) . ?
C2 C3 1.425(2) . ?
C2 C6 1.517(2) . ?
C3 C4 1.422(2) . ?
C4 C5 1.426(2) . ?
C6 N8 1.482(2) . ?
C6 C7 1.527(2) . ?
N8 C10 1.461(2) . ?
N8 C9 1.463(2) . ?
C11 C15 1.430(2) . ?
C11 C12 1.437(2) . ?
C12 C13 1.429(2) . ?
C12 C16 1.501(2) . ?
C13 C14 1.422(2) . ?
C14 C15 1.427(2) . ?
C16 N18 1.478(2) . ?
C16 C17 1.533(2) . ?
N18 C20 1.454(2) . ?
N18 C19 1.455(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 Fe1 C1C C5C 112.51(13) . . . . ?
C2C Fe1 C1C C5C -118.46(19) . . . . ?
C5 Fe1 C1C C5C 73.70(15) . . . . ?
C3 Fe1 C1C C5C 154.25(12) . . . . ?
C3C Fe1 C1C C5C -80.61(14) . . . . ?
C4C Fe1 C1C C5C -37.20(13) . . . . ?
C1 Fe1 C1C C5C 55.1(3) . . . . ?
C2 Fe1 C1C C5C -178.07(13) . . . . ?
C4 Fe1 C1C C2C -129.03(13) . . . . ?
C5 Fe1 C1C C2C -167.84(12) . . . . ?
C5C Fe1 C1C C2C 118.46(19) . . . . ?
C3 Fe1 C1C C2C -87.29(15) . . . . ?
C3C Fe1 C1C C2C 37.85(14) . . . . ?
C4C Fe1 C1C C2C 81.26(15) . . . . ?
C1 Fe1 C1C C2C 173.5(3) . . . . ?
C2 Fe1 C1C C2C -59.6(2) . . . . ?
C5C C1C C2C C3C 0.1(2) . . . . ?
Fe1 C1C C2C C3C -60.08(14) . . . . ?
C5C C1C C2C Fe1 60.15(14) . . . . ?
C4 Fe1 C2C C3C -173.89(12) . . . . ?
C1C Fe1 C2C C3C 118.63(19) . . . . ?
C5 Fe1 C2C C3C 154.9(2) . . . . ?
C5C Fe1 C2C C3C 80.54(14) . . . . ?
C3 Fe1 C2C C3C -132.56(13) . . . . ?
C4C Fe1 C2C C3C 37.15(13) . . . . ?
C1 Fe1 C2C C3C -57.4(2) . . . . ?
C2 Fe1 C2C C3C -90.55(14) . . . . ?
C4 Fe1 C2C C1C 67.48(16) . . . . ?
C5 Fe1 C2C C1C 36.3(3) . . . . ?
C5C Fe1 C2C C1C -38.09(13) . . . . ?
C3 Fe1 C2C C1C 108.80(14) . . . . ?
C3C Fe1 C2C C1C -118.63(19) . . . . ?
C4C Fe1 C2C C1C -81.48(15) . . . . ?
C1 Fe1 C2C C1C -176.03(16) . . . . ?
C2 Fe1 C2C C1C 150.81(12) . . . . ?
C1C C2C C3C C4C 0.2(2) . . . . ?
Fe1 C2C C3C C4C -59.33(14) . . . . ?
C1C C2C C3C Fe1 59.48(14) . . . . ?
C4 Fe1 C3C C4C 139.1(3) . . . . ?
C1C Fe1 C3C C4C 81.56(14) . . . . ?
C2C Fe1 C3C C4C 119.69(19) . . . . ?
C5 Fe1 C3C C4C -43.8(2) . . . . ?
C5C Fe1 C3C C4C 37.50(13) . . . . ?
C3 Fe1 C3C C4C -173.58(11) . . . . ?
C1 Fe1 C3C C4C -85.78(14) . . . . ?
C2 Fe1 C3C C4C -130.21(12) . . . . ?
C4 Fe1 C3C C2C 19.4(4) . . . . ?
C1C Fe1 C3C C2C -38.14(14) . . . . ?
C5 Fe1 C3C C2C -163.48(16) . . . . ?
C5C Fe1 C3C C2C -82.19(15) . . . . ?
C3 Fe1 C3C C2C 66.73(16) . . . . ?
C4C Fe1 C3C C2C -119.69(19) . . . . ?
C1 Fe1 C3C C2C 154.53(13) . . . . ?
C2 Fe1 C3C C2C 110.10(14) . . . . ?
C2C C3C C4C C5C -0.3(2) . . . . ?
Fe1 C3C C4C C5C -59.24(13) . . . . ?
C2C C3C C4C Fe1 58.92(14) . . . . ?
C4 Fe1 C4C C5C -40.8(2) . . . . ?
C1C Fe1 C4C C5C 37.67(14) . . . . ?
C2C Fe1 C4C C5C 81.75(15) . . . . ?
C5 Fe1 C4C C5C -81.03(14) . . . . ?
C3 Fe1 C4C C5C 146.1(4) . . . . ?
C3C Fe1 C4C C5C 119.17(19) . . . . ?
C1 Fe1 C4C C5C -125.78(13) . . . . ?
C2 Fe1 C4C C5C -167.22(12) . . . . ?
C4 Fe1 C4C C3C -160.01(15) . . . . ?
C1C Fe1 C4C C3C -81.50(15) . . . . ?
C2C Fe1 C4C C3C -37.41(14) . . . . ?
C5 Fe1 C4C C3C 159.80(12) . . . . ?
C5C Fe1 C4C C3C -119.17(19) . . . . ?
C3 Fe1 C4C C3C 26.9(5) . . . . ?
C1 Fe1 C4C C3C 115.06(13) . . . . ?
C2 Fe1 C4C C3C 73.61(16) . . . . ?
C3C C4C C5C C1C 0.4(2) . . . . ?
Fe1 C4C C5C C1C -59.14(14) . . . . ?
C3C C4C C5C Fe1 59.51(13) . . . . ?
C2C C1C C5C C4C -0.3(2) . . . . ?
Fe1 C1C C5C C4C 59.83(14) . . . . ?
C2C C1C C5C Fe1 -60.11(14) . . . . ?
C4 Fe1 C5C C4C 158.87(12) . . . . ?
C1C Fe1 C5C C4C -119.49(19) . . . . ?
C2C Fe1 C5C C4C -81.31(15) . . . . ?
C5 Fe1 C5C C4C 115.76(13) . . . . ?
C3 Fe1 C5C C4C -168.32(14) . . . . ?
C3C Fe1 C5C C4C -37.52(14) . . . . ?
C1 Fe1 C5C C4C 76.80(15) . . . . ?
C2 Fe1 C5C C4C 55.7(4) . . . . ?
C4 Fe1 C5C C1C -81.64(15) . . . . ?
C2C Fe1 C5C C1C 38.18(14) . . . . ?
C5 Fe1 C5C C1C -124.75(14) . . . . ?
C3 Fe1 C5C C1C -48.8(2) . . . . ?
C3C Fe1 C5C C1C 81.97(15) . . . . ?
C4C Fe1 C5C C1C 119.49(19) . . . . ?
C1 Fe1 C5C C1C -163.71(12) . . . . ?
C2 Fe1 C5C C1C 175.2(3) . . . . ?
C14 Fe2 C6C C7C 69.06(14) . . . . ?
C13 Fe2 C6C C7C 109.55(12) . . . . ?
C8C Fe2 C6C C7C -37.59(12) . . . . ?
C15 Fe2 C6C C7C 38.9(3) . . . . ?
C9C Fe2 C6C C7C -81.32(13) . . . . ?
C10C Fe2 C6C C7C -118.96(16) . . . . ?
C11 Fe2 C6C C7C -173.54(13) . . . . ?
C12 Fe2 C6C C7C 152.49(11) . . . . ?
C14 Fe2 C6C C10C -171.97(10) . . . . ?
C13 Fe2 C6C C10C -131.49(11) . . . . ?
C8C Fe2 C6C C10C 81.38(12) . . . . ?
C7C Fe2 C6C C10C 118.96(16) . . . . ?
C15 Fe2 C6C C10C 157.8(3) . . . . ?
C9C Fe2 C6C C10C 37.64(11) . . . . ?
C11 Fe2 C6C C10C -54.58(19) . . . . ?
C12 Fe2 C6C C10C -88.55(12) . . . . ?
C10C C6C C7C C8C -0.3(2) . . . . ?
Fe2 C6C C7C C8C 59.29(12) . . . . ?
C10C C6C C7C Fe2 -59.60(12) . . . . ?
C14 Fe2 C7C C8C 111.05(12) . . . . ?
C13 Fe2 C7C C8C 153.70(11) . . . . ?
C15 Fe2 C7C C8C 71.63(14) . . . . ?
C6C Fe2 C7C C8C -119.49(17) . . . . ?
C9C Fe2 C7C C8C -37.69(11) . . . . ?
C10C Fe2 C7C C8C -81.67(12) . . . . ?
C11 Fe2 C7C C8C 46.6(4) . . . . ?
C12 Fe2 C7C C8C -173.68(13) . . . . ?
C14 Fe2 C7C C6C -129.46(11) . . . . ?
C13 Fe2 C7C C6C -86.80(13) . . . . ?
C8C Fe2 C7C C6C 119.49(17) . . . . ?
C15 Fe2 C7C C6C -168.88(10) . . . . ?
C9C Fe2 C7C C6C 81.81(12) . . . . ?
C10C Fe2 C7C C6C 37.82(11) . . . . ?
C11 Fe2 C7C C6C 166.1(3) . . . . ?
C12 Fe2 C7C C6C -54.18(19) . . . . ?
C6C C7C C8C C9C 0.3(2) . . . . ?
Fe2 C7C C8C C9C 59.75(12) . . . . ?
C6C C7C C8C Fe2 -59.49(12) . . . . ?
C14 Fe2 C8C C9C 156.10(11) . . . . ?
C13 Fe2 C8C C9C -169.47(12) . . . . ?
C7C Fe2 C8C C9C -119.11(16) . . . . ?
C15 Fe2 C8C C9C 112.76(11) . . . . ?
C6C Fe2 C8C C9C -81.58(12) . . . . ?
C10C Fe2 C8C C9C -37.77(11) . . . . ?
C11 Fe2 C8C C9C 73.01(13) . . . . ?
C12 Fe2 C8C C9C 43.9(4) . . . . ?
C14 Fe2 C8C C7C -84.78(12) . . . . ?
C13 Fe2 C8C C7C -50.35(18) . . . . ?
C15 Fe2 C8C C7C -128.13(11) . . . . ?
C6C Fe2 C8C C7C 37.53(11) . . . . ?
C9C Fe2 C8C C7C 119.11(16) . . . . ?
C10C Fe2 C8C C7C 81.35(12) . . . . ?
C11 Fe2 C8C C7C -167.87(10) . . . . ?
C12 Fe2 C8C C7C 163.0(3) . . . . ?
C7C C8C C9C C10C -0.1(2) . . . . ?
Fe2 C8C C9C C10C 59.39(12) . . . . ?
C7C C8C C9C Fe2 -59.50(12) . . . . ?
C14 Fe2 C9C C8C -46.73(19) . . . . ?
C13 Fe2 C9C C8C 150.6(3) . . . . ?
C7C Fe2 C9C C8C 37.82(11) . . . . ?
C15 Fe2 C9C C8C -84.56(12) . . . . ?
C6C Fe2 C9C C8C 81.68(12) . . . . ?
C10C Fe2 C9C C8C 119.23(16) . . . . ?
C11 Fe2 C9C C8C -128.58(11) . . . . ?
C12 Fe2 C9C C8C -169.91(10) . . . . ?
C14 Fe2 C9C C10C -165.96(13) . . . . ?
C13 Fe2 C9C C10C 31.3(4) . . . . ?
C8C Fe2 C9C C10C -119.23(16) . . . . ?
C7C Fe2 C9C C10C -81.41(12) . . . . ?
C15 Fe2 C9C C10C 156.21(10) . . . . ?
C6C Fe2 C9C C10C -37.55(11) . . . . ?
C11 Fe2 C9C C10C 112.19(11) . . . . ?
C12 Fe2 C9C C10C 70.86(14) . . . . ?
C7C C6C C10C C9C 0.24(19) . . . . ?
Fe2 C6C C10C C9C -59.04(12) . . . . ?
C7C C6C C10C Fe2 59.29(12) . . . . ?
C8C C9C C10C C6C -0.08(19) . . . . ?
Fe2 C9C C10C C6C 59.06(12) . . . . ?
C8C C9C C10C Fe2 -59.14(12) . . . . ?
C14 Fe2 C10C C6C 28.8(3) . . . . ?
C13 Fe2 C10C C6C 68.05(13) . . . . ?
C8C Fe2 C10C C6C -81.81(12) . . . . ?
C7C Fe2 C10C C6C -37.85(11) . . . . ?
C15 Fe2 C10C C6C -168.75(13) . . . . ?
C9C Fe2 C10C C6C -119.43(16) . . . . ?
C11 Fe2 C10C C6C 153.69(10) . . . . ?
C12 Fe2 C10C C6C 109.74(11) . . . . ?
C14 Fe2 C10C C9C 148.2(3) . . . . ?
C13 Fe2 C10C C9C -172.52(10) . . . . ?
C8C Fe2 C10C C9C 37.62(11) . . . . ?
C7C Fe2 C10C C9C 81.58(12) . . . . ?
C15 Fe2 C10C C9C -49.32(19) . . . . ?
C6C Fe2 C10C C9C 119.43(16) . . . . ?
C11 Fe2 C10C C9C -86.89(12) . . . . ?
C12 Fe2 C10C C9C -130.83(11) . . . . ?
C4 Fe1 C1 C2 81.10(10) . . . . ?
C1C Fe1 C1 C2 142.7(3) . . . . ?
C2C Fe1 C1 C2 -47.1(2) . . . . ?
C5 Fe1 C1 C2 119.04(13) . . . . ?
C5C Fe1 C1 C2 -173.71(11) . . . . ?
C3 Fe1 C1 C2 36.99(9) . . . . ?
C3C Fe1 C1 C2 -87.47(12) . . . . ?
C4C Fe1 C1 C2 -131.24(11) . . . . ?
C4 Fe1 C1 C5 -37.94(10) . . . . ?
C1C Fe1 C1 C5 23.6(3) . . . . ?
C2C Fe1 C1 C5 -166.18(18) . . . . ?
C5C Fe1 C1 C5 67.25(13) . . . . ?
C3 Fe1 C1 C5 -82.05(10) . . . . ?
C3C Fe1 C1 C5 153.49(11) . . . . ?
C4C Fe1 C1 C5 109.72(11) . . . . ?
C2 Fe1 C1 C5 -119.04(13) . . . . ?
C4 Fe1 C1 C11 -158.90(16) . . . . ?
C1C Fe1 C1 C11 -97.3(3) . . . . ?
C2C Fe1 C1 C11 72.9(2) . . . . ?
C5 Fe1 C1 C11 -120.96(18) . . . . ?
C5C Fe1 C1 C11 -53.71(18) . . . . ?
C3 Fe1 C1 C11 156.99(16) . . . . ?
C3C Fe1 C1 C11 32.53(18) . . . . ?
C4C Fe1 C1 C11 -11.24(17) . . . . ?
C2 Fe1 C1 C11 120.00(18) . . . . ?
C5 C1 C2 C3 1.68(18) . . . . ?
C11 C1 C2 C3 175.81(14) . . . . ?
Fe1 C1 C2 C3 -57.12(11) . . . . ?
C5 C1 C2 C6 -169.79(15) . . . . ?
C11 C1 C2 C6 4.3(2) . . . . ?
Fe1 C1 C2 C6 131.41(16) . . . . ?
C5 C1 C2 Fe1 58.80(11) . . . . ?
C11 C1 C2 Fe1 -127.07(15) . . . . ?
C4 Fe1 C2 C3 38.01(10) . . . . ?
C1C Fe1 C2 C3 -40.5(2) . . . . ?
C2C Fe1 C2 C3 -81.02(13) . . . . ?
C5 Fe1 C2 C3 82.33(11) . . . . ?
C5C Fe1 C2 C3 145.9(4) . . . . ?
C3C Fe1 C2 C3 -125.64(12) . . . . ?
C4C Fe1 C2 C3 -167.70(11) . . . . ?
C1 Fe1 C2 C3 120.34(13) . . . . ?
C4 Fe1 C2 C1 -82.34(10) . . . . ?
C1C Fe1 C2 C1 -160.87(16) . . . . ?
C2C Fe1 C2 C1 158.64(11) . . . . ?
C5 Fe1 C2 C1 -38.01(9) . . . . ?
C5C Fe1 C2 C1 25.5(4) . . . . ?
C3 Fe1 C2 C1 -120.34(13) . . . . ?
C3C Fe1 C2 C1 114.01(11) . . . . ?
C4C Fe1 C2 C1 71.96(13) . . . . ?
C4 Fe1 C2 C6 157.38(18) . . . . ?
C1C Fe1 C2 C6 78.8(2) . . . . ?
C2C Fe1 C2 C6 38.4(2) . . . . ?
C5 Fe1 C2 C6 -158.29(18) . . . . ?
C5C Fe1 C2 C6 -94.7(4) . . . . ?
C3 Fe1 C2 C6 119.4(2) . . . . ?
C3C Fe1 C2 C6 -6.27(19) . . . . ?
C4C Fe1 C2 C6 -48.3(2) . . . . ?
C1 Fe1 C2 C6 -120.3(2) . . . . ?
C1 C2 C3 C4 -1.75(18) . . . . ?
C6 C2 C3 C4 169.71(15) . . . . ?
Fe1 C2 C3 C4 -59.48(11) . . . . ?
C1 C2 C3 Fe1 57.73(11) . . . . ?
C6 C2 C3 Fe1 -130.81(16) . . . . ?
C1C Fe1 C3 C4 -81.46(13) . . . . ?
C2C Fe1 C3 C4 -124.42(12) . . . . ?
C5 Fe1 C3 C4 38.16(10) . . . . ?
C5C Fe1 C3 C4 -48.72(19) . . . . ?
C3C Fe1 C3 C4 -162.93(12) . . . . ?
C4C Fe1 C3 C4 174.7(4) . . . . ?
C1 Fe1 C3 C4 82.20(11) . . . . ?
C2 Fe1 C3 C4 119.10(14) . . . . ?
C4 Fe1 C3 C2 -119.10(14) . . . . ?
C1C Fe1 C3 C2 159.43(11) . . . . ?
C2C Fe1 C3 C2 116.48(12) . . . . ?
C5 Fe1 C3 C2 -80.95(10) . . . . ?
C5C Fe1 C3 C2 -167.82(14) . . . . ?
C3C Fe1 C3 C2 77.96(14) . . . . ?
C4C Fe1 C3 C2 55.6(4) . . . . ?
C1 Fe1 C3 C2 -36.91(9) . . . . ?
C2 C3 C4 C5 1.15(19) . . . . ?
Fe1 C3 C4 C5 -59.86(11) . . . . ?
C2 C3 C4 Fe1 61.01(11) . . . . ?
C1C Fe1 C4 C3 112.90(12) . . . . ?
C2C Fe1 C4 C3 74.63(13) . . . . ?
C5 Fe1 C4 C3 -118.72(14) . . . . ?
C5C Fe1 C4 C3 154.36(11) . . . . ?
C3C Fe1 C4 C3 59.3(3) . . . . ?
C4C Fe1 C4 C3 -178.01(14) . . . . ?
C1 Fe1 C4 C3 -80.95(11) . . . . ?
C2 Fe1 C4 C3 -37.53(10) . . . . ?
C1C Fe1 C4 C5 -128.38(12) . . . . ?
C2C Fe1 C4 C5 -166.65(11) . . . . ?
C5C Fe1 C4 C5 -86.91(12) . . . . ?
C3 Fe1 C4 C5 118.72(14) . . . . ?
C3C Fe1 C4 C5 178.1(3) . . . . ?
C4C Fe1 C4 C5 -59.28(19) . . . . ?
C1 Fe1 C4 C5 37.77(9) . . . . ?
C2 Fe1 C4 C5 81.20(10) . . . . ?
C3 C4 C5 C1 -0.10(18) . . . . ?
Fe1 C4 C5 C1 -60.00(11) . . . . ?
C3 C4 C5 Fe1 59.90(12) . . . . ?
C2 C1 C5 C4 -0.98(18) . . . . ?
C11 C1 C5 C4 -174.96(15) . . . . ?
Fe1 C1 C5 C4 59.12(12) . . . . ?
C2 C1 C5 Fe1 -60.10(11) . . . . ?
C11 C1 C5 Fe1 125.92(16) . . . . ?
C1C Fe1 C5 C4 68.28(13) . . . . ?
C2C Fe1 C5 C4 40.2(3) . . . . ?
C5C Fe1 C5 C4 108.94(12) . . . . ?
C3 Fe1 C5 C4 -38.06(10) . . . . ?
C3C Fe1 C5 C4 -178.84(16) . . . . ?
C4C Fe1 C5 C4 150.51(11) . . . . ?
C1 Fe1 C5 C4 -119.15(14) . . . . ?
C2 Fe1 C5 C4 -81.64(11) . . . . ?
C4 Fe1 C5 C1 119.15(14) . . . . ?
C1C Fe1 C5 C1 -172.57(11) . . . . ?
C2C Fe1 C5 C1 159.4(3) . . . . ?
C5C Fe1 C5 C1 -131.90(11) . . . . ?
C3 Fe1 C5 C1 81.09(10) . . . . ?
C3C Fe1 C5 C1 -59.7(2) . . . . ?
C4C Fe1 C5 C1 -90.34(11) . . . . ?
C2 Fe1 C5 C1 37.52(9) . . . . ?
C3 C2 C6 N8 -23.9(2) . . . . ?
C1 C2 C6 N8 146.04(15) . . . . ?
Fe1 C2 C6 N8 -118.14(16) . . . . ?
C3 C2 C6 C7 100.72(19) . . . . ?
C1 C2 C6 C7 -89.34(19) . . . . ?
Fe1 C2 C6 C7 6.5(2) . . . . ?
C2 C6 N8 C10 172.67(15) . . . . ?
C7 C6 N8 C10 47.8(2) . . . . ?
C2 C6 N8 C9 -66.70(17) . . . . ?
C7 C6 N8 C9 168.39(15) . . . . ?
C2 C1 C11 C15 69.0(2) . . . . ?
C5 C1 C11 C15 -117.97(19) . . . . ?
Fe1 C1 C11 C15 -25.2(2) . . . . ?
C2 C1 C11 C12 -106.49(19) . . . . ?
C5 C1 C11 C12 66.5(2) . . . . ?
Fe1 C1 C11 C12 159.32(12) . . . . ?
C2 C1 C11 Fe2 162.65(12) . . . . ?
C5 C1 C11 Fe2 -24.3(2) . . . . ?
Fe1 C1 C11 Fe2 68.5(2) . . . . ?
C14 Fe2 C11 C15 -37.67(10) . . . . ?
C13 Fe2 C11 C15 -81.62(11) . . . . ?
C8C Fe2 C11 C15 68.80(13) . . . . ?
C7C Fe2 C11 C15 30.7(4) . . . . ?
C6C Fe2 C11 C15 -168.52(14) . . . . ?
C9C Fe2 C11 C15 110.19(11) . . . . ?
C10C Fe2 C11 C15 154.02(10) . . . . ?
C12 Fe2 C11 C15 -119.34(13) . . . . ?
C14 Fe2 C11 C12 81.66(10) . . . . ?
C13 Fe2 C11 C12 37.72(9) . . . . ?
C8C Fe2 C11 C12 -171.86(10) . . . . ?
C7C Fe2 C11 C12 150.1(3) . . . . ?
C15 Fe2 C11 C12 119.34(13) . . . . ?
C6C Fe2 C11 C12 -49.18(18) . . . . ?
C9C Fe2 C11 C12 -130.47(10) . . . . ?
C10C Fe2 C11 C12 -86.64(11) . . . . ?
C14 Fe2 C11 C1 -160.40(16) . . . . ?
C13 Fe2 C11 C1 155.66(16) . . . . ?
C8C Fe2 C11 C1 -53.92(18) . . . . ?
C7C Fe2 C11 C1 -92.0(3) . . . . ?
C15 Fe2 C11 C1 -122.72(18) . . . . ?
C6C Fe2 C11 C1 68.8(2) . . . . ?
C9C Fe2 C11 C1 -12.53(16) . . . . ?
C10C Fe2 C11 C1 31.30(17) . . . . ?
C12 Fe2 C11 C1 117.94(18) . . . . ?
C15 C11 C12 C13 0.23(17) . . . . ?
C1 C11 C12 C13 176.51(14) . . . . ?
Fe2 C11 C12 C13 -58.59(11) . . . . ?
C15 C11 C12 C16 -173.22(15) . . . . ?
C1 C11 C12 C16 3.1(2) . . . . ?
Fe2 C11 C12 C16 127.97(15) . . . . ?
C15 C11 C12 Fe2 58.82(11) . . . . ?
C1 C11 C12 Fe2 -124.90(15) . . . . ?
C14 Fe2 C12 C13 37.57(10) . . . . ?
C8C Fe2 C12 C13 154.1(3) . . . . ?
C7C Fe2 C12 C13 -48.03(18) . . . . ?
C15 Fe2 C12 C13 81.60(10) . . . . ?
C6C Fe2 C12 C13 -84.59(11) . . . . ?
C9C Fe2 C12 C13 -169.17(10) . . . . ?
C10C Fe2 C12 C13 -128.29(11) . . . . ?
C11 Fe2 C12 C13 119.29(13) . . . . ?
C14 Fe2 C12 C11 -81.73(10) . . . . ?
C13 Fe2 C12 C11 -119.29(13) . . . . ?
C8C Fe2 C12 C11 34.8(4) . . . . ?
C7C Fe2 C12 C11 -167.32(13) . . . . ?
C15 Fe2 C12 C11 -37.69(9) . . . . ?
C6C Fe2 C12 C11 156.12(10) . . . . ?
C9C Fe2 C12 C11 71.54(12) . . . . ?
C10C Fe2 C12 C11 112.41(10) . . . . ?
C14 Fe2 C12 C16 158.82(17) . . . . ?
C13 Fe2 C12 C16 121.26(19) . . . . ?
C8C Fe2 C12 C16 -84.6(4) . . . . ?
C7C Fe2 C12 C16 73.2(2) . . . . ?
C15 Fe2 C12 C16 -157.14(17) . . . . ?
C6C Fe2 C12 C16 36.67(18) . . . . ?
C9C Fe2 C12 C16 -47.91(19) . . . . ?
C10C Fe2 C12 C16 -7.04(17) . . . . ?
C11 Fe2 C12 C16 -119.45(19) . . . . ?
C11 C12 C13 C14 -0.27(18) . . . . ?
C16 C12 C13 C14 173.03(15) . . . . ?
Fe2 C12 C13 C14 -59.26(12) . . . . ?
C11 C12 C13 Fe2 58.99(11) . . . . ?
C16 C12 C13 Fe2 -127.71(16) . . . . ?
C8C Fe2 C13 C14 -51.17(18) . . . . ?
C7C Fe2 C13 C14 -85.01(12) . . . . ?
C15 Fe2 C13 C14 37.86(9) . . . . ?
C6C Fe2 C13 C14 -127.90(10) . . . . ?
C9C Fe2 C13 C14 166.8(3) . . . . ?
C10C Fe2 C13 C14 -167.09(10) . . . . ?
C11 Fe2 C13 C14 81.82(11) . . . . ?
C12 Fe2 C13 C14 119.60(14) . . . . ?
C14 Fe2 C13 C12 -119.60(14) . . . . ?
C8C Fe2 C13 C12 -170.77(13) . . . . ?
C7C Fe2 C13 C12 155.39(10) . . . . ?
C15 Fe2 C13 C12 -81.74(10) . . . . ?
C6C Fe2 C13 C12 112.50(10) . . . . ?
C9C Fe2 C13 C12 47.2(4) . . . . ?
C10C Fe2 C13 C12 73.31(13) . . . . ?
C11 Fe2 C13 C12 -37.78(9) . . . . ?
C12 C13 C14 C15 0.21(18) . . . . ?
Fe2 C13 C14 C15 -59.48(11) . . . . ?
C12 C13 C14 Fe2 59.68(11) . . . . ?
C8C Fe2 C14 C13 153.34(10) . . . . ?
C7C Fe2 C14 C13 110.84(11) . . . . ?
C15 Fe2 C14 C13 -119.17(14) . . . . ?
C6C Fe2 C14 C13 71.58(12) . . . . ?
C9C Fe2 C14 C13 -174.96(13) . . . . ?
C10C Fe2 C14 C13 48.4(3) . . . . ?
C11 Fe2 C14 C13 -81.57(10) . . . . ?
C12 Fe2 C14 C13 -37.57(10) . . . . ?
C13 Fe2 C14 C15 119.17(14) . . . . ?
C8C Fe2 C14 C15 -87.49(11) . . . . ?
C7C Fe2 C14 C15 -129.99(10) . . . . ?
C6C Fe2 C14 C15 -169.25(10) . . . . ?
C9C Fe2 C14 C15 -55.79(17) . . . . ?
C10C Fe2 C14 C15 167.5(3) . . . . ?
C11 Fe2 C14 C15 37.60(9) . . . . ?
C12 Fe2 C14 C15 81.60(10) . . . . ?
C13 C14 C15 C11 -0.06(18) . . . . ?
Fe2 C14 C15 C11 -59.41(11) . . . . ?
C13 C14 C15 Fe2 59.34(11) . . . . ?
C12 C11 C15 C14 -0.10(18) . . . . ?
C1 C11 C15 C14 -176.20(15) . . . . ?
Fe2 C11 C15 C14 58.96(11) . . . . ?
C12 C11 C15 Fe2 -59.06(11) . . . . ?
C1 C11 C15 Fe2 124.84(16) . . . . ?
C13 Fe2 C15 C14 -37.78(10) . . . . ?
C8C Fe2 C15 C14 109.24(11) . . . . ?
C7C Fe2 C15 C14 68.76(13) . . . . ?
C6C Fe2 C15 C14 37.6(3) . . . . ?
C9C Fe2 C15 C14 152.01(10) . . . . ?
C10C Fe2 C15 C14 -173.92(13) . . . . ?
C11 Fe2 C15 C14 -119.51(14) . . . . ?
C12 Fe2 C15 C14 -81.75(10) . . . . ?
C14 Fe2 C15 C11 119.51(14) . . . . ?
C13 Fe2 C15 C11 81.72(10) . . . . ?
C8C Fe2 C15 C11 -131.25(10) . . . . ?
C7C Fe2 C15 C11 -171.73(10) . . . . ?
C6C Fe2 C15 C11 157.1(3) . . . . ?
C9C Fe2 C15 C11 -88.49(11) . . . . ?
C10C Fe2 C15 C11 -54.41(18) . . . . ?
C12 Fe2 C15 C11 37.76(9) . . . . ?
C13 C12 C16 N18 -99.18(19) . . . . ?
C11 C12 C16 N18 72.99(19) . . . . ?
Fe2 C12 C16 N18 166.57(12) . . . . ?
C13 C12 C16 C17 29.1(2) . . . . ?
C11 C12 C16 C17 -158.75(15) . . . . ?
Fe2 C12 C16 C17 -65.17(19) . . . . ?
C12 C16 N18 C20 64.94(18) . . . . ?
C17 C16 N18 C20 -61.81(19) . . . . ?
C12 C16 N18 C19 -168.15(15) . . . . ?
C17 C16 N18 C19 65.1(2) . . . . ?
