#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:05:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178634 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/45/4074558.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_4074558
loop_
_publ_author_name
'Xu, Guo-Lin'
'Xi, Bin'
'Updegraff, James B.'
'Protasiewicz, John D.'
'Ren, Tong'
_publ_section_title
;
 1,6-Bis(ferrocenyl)-1,3,5-hexatriyne:  Novel Preparation and
 Structural Study
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5213
_journal_paper_doi               10.1021/om0607550
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C26 H18 Fe2'
_chemical_formula_weight         442.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 101.8230(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.6034(2)
_cell_length_b                   10.9464(3)
_cell_length_c                   11.6264(3)
_cell_measurement_reflns_used    6103
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.52
_cell_measurement_theta_min      2.58
_cell_volume                     947.13(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0140
_diffrn_reflns_av_sigmaI/netI    0.0095
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15144
_diffrn_reflns_theta_full        30.53
_diffrn_reflns_theta_max         30.53
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    1.539
_exptl_absorpt_correction_T_max  0.669591
_exptl_absorpt_correction_T_min  0.56066
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'AXScale in APEX2 (Bruker, 2004)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular chunk'
_exptl_crystal_F_000             452
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.477
_refine_diff_density_min         -0.259
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2892
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0207
_refine_ls_R_factor_gt           0.0199
_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)+(0.0345P)²+0.3685P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0568
_reflns_number_gt                2779
_reflns_number_total             2892
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0607550si20060821_102407.cif
_cod_data_source_block           compd04
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4074558
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Fe Fe 0.339662(16) 0.312805(11) 0.110719(11) 0.01274(5) Uani 1 1 d
C1 C 0.09725(13) 0.44974(9) 0.25087(9) 0.01923(17) Uani 1 1 d
C2 C 0.05958(14) 0.47002(10) 0.34536(9) 0.02119(18) Uani 1 1 d
C3 C 0.01866(14) 0.49079(10) 0.45239(9) 0.02185(19) Uani 1 1 d
C11 C 0.14068(12) 0.42647(9) 0.13996(8) 0.01619(16) Uani 1 1 d
C12 C 0.26918(13) 0.49340(8) 0.08953(8) 0.01635(16) Uani 1 1 d
H12 H 0.3354(19) 0.5597(15) 0.1270(13) 0.023(4) Uiso 1 1 d
C13 C 0.27280(13) 0.43999(9) -0.02148(8) 0.01727(17) Uani 1 1 d
H13 H 0.352(2) 0.4658(14) -0.0716(13) 0.026(4) Uiso 1 1 d
C14 C 0.14930(13) 0.34040(9) -0.04022(8) 0.01823(17) Uani 1 1 d
H14 H 0.125(2) 0.2885(15) -0.1074(12) 0.021(3) Uiso 1 1 d
C15 C 0.06806(13) 0.33088(9) 0.05936(9) 0.01770(17) Uani 1 1 d
H15 H -0.015(2) 0.2725(15) 0.0722(13) 0.024(3) Uiso 1 1 d
C16 C 0.45142(14) 0.14469(9) 0.09580(9) 0.02144(19) Uani 1 1 d
H16 H 0.414(2) 0.0932(16) 0.0320(15) 0.035(4) Uiso 1 1 d
C17 C 0.58537(13) 0.23739(10) 0.10490(10) 0.02265(19) Uani 1 1 d
H17 H 0.654(2) 0.2599(17) 0.0483(15) 0.036(4) Uiso 1 1 d
C18 C 0.59398(14) 0.30013(10) 0.21330(10) 0.02172(19) Uani 1 1 d
H18 H 0.670(2) 0.3660(17) 0.2430(15) 0.034(4) Uiso 1 1 d
C19 C 0.46408(14) 0.24686(9) 0.27098(9) 0.02013(18) Uani 1 1 d
H19 H 0.432(2) 0.2740(16) 0.3429(15) 0.034(4) Uiso 1 1 d
C20 C 0.37628(14) 0.15068(9) 0.19817(9) 0.02015(18) Uani 1 1 d
H20 H 0.276(2) 0.1026(16) 0.2124(15) 0.032(4) 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'
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
C20 Fe C15 104.93(4) .
C20 Fe C11 118.59(4) .
C15 Fe C11 41.27(4) .
C20 Fe C19 41.01(4) .
C15 Fe C19 123.65(4) .
C11 Fe C19 106.52(4) .
C20 Fe C16 40.78(4) .
C15 Fe C16 118.37(4) .
C11 Fe C16 153.66(4) .
C19 Fe C16 68.71(4) .
C20 Fe C12 155.00(4) .
C15 Fe C12 69.33(4) .
C11 Fe C12 41.19(4) .
C19 Fe C12 120.78(4) .
C16 Fe C12 163.47(4) .
C20 Fe C14 123.70(4) .
C15 Fe C14 40.69(4) .
C11 Fe C14 68.67(4) .
C19 Fe C14 160.91(4) .
C16 Fe C14 106.94(4) .
C12 Fe C14 68.57(4) .
C20 Fe C17 68.55(4) .
C15 Fe C17 154.43(4) .
C11 Fe C17 163.74(4) .
C19 Fe C17 68.51(4) .
C16 Fe C17 40.65(4) .
C12 Fe C17 126.88(4) .
C14 Fe C17 121.10(4) .
C20 Fe C18 68.64(4) .
C15 Fe C18 162.08(5) .
C11 Fe C18 125.82(4) .
C19 Fe C18 40.75(4) .
C16 Fe C18 68.40(4) .
C12 Fe C18 109.03(4) .
C14 Fe C18 156.68(4) .
C17 Fe C18 40.53(4) .
C20 Fe C13 161.78(4) .
C15 Fe C13 68.61(4) .
C11 Fe C13 68.53(4) .
C19 Fe C13 156.65(4) .
C16 Fe C13 125.97(4) .
C12 Fe C13 40.50(4) .
C14 Fe C13 40.56(4) .
C17 Fe C13 109.51(4) .
C18 Fe C13 122.49(4) .
C2 C1 C11 179.70(12) .
C1 C2 C3 178.92(11) .
C3 C3 C2 179.70(17) 3_566
C1 C11 C15 126.42(9) .
C1 C11 C12 125.68(9) .
C15 C11 C12 107.89(8) .
C1 C11 Fe 125.43(7) .
C15 C11 Fe 69.29(5) .
C12 C11 Fe 69.75(5) .
C13 C12 C11 107.55(8) .
C13 C12 Fe 70.09(5) .
C11 C12 Fe 69.06(5) .
C13 C12 H12 129.1(9) .
C11 C12 H12 123.3(9) .
Fe C12 H12 126.0(9) .
C12 C13 C14 108.56(8) .
C12 C13 Fe 69.40(5) .
C14 C13 Fe 69.59(5) .
C12 C13 H13 124.1(9) .
C14 C13 H13 127.2(9) .
Fe C13 H13 124.3(9) .
C15 C14 C13 108.28(8) .
C15 C14 Fe 69.01(5) .
C13 C14 Fe 69.85(5) .
C15 C14 H14 125.3(9) .
C13 C14 H14 126.4(9) .
Fe C14 H14 126.8(9) .
C14 C15 C11 107.71(8) .
C14 C15 Fe 70.30(5) .
C11 C15 Fe 69.44(5) .
C14 C15 H15 127.1(9) .
C11 C15 H15 125.2(9) .
Fe C15 H15 124.6(10) .
C20 C16 C17 107.94(9) .
C20 C16 Fe 69.11(6) .
C17 C16 Fe 69.94(6) .
C20 C16 H16 126.0(11) .
C17 C16 H16 126.0(11) .
Fe C16 H16 123.3(11) .
C18 C17 C16 108.13(9) .
C18 C17 Fe 69.81(6) .
C16 C17 Fe 69.41(6) .
C18 C17 H17 123.7(11) .
C16 C17 H17 128.1(11) .
Fe C17 H17 123.3(11) .
C17 C18 C19 107.93(9) .
C17 C18 Fe 69.67(6) .
C19 C18 Fe 68.98(6) .
C17 C18 H18 127.4(10) .
C19 C18 H18 124.7(10) .
Fe C18 H18 126.2(11) .
C18 C19 C20 107.89(9) .
C18 C19 Fe 70.27(6) .
C20 C19 Fe 69.31(5) .
C18 C19 H19 127.1(11) .
C20 C19 H19 124.8(11) .
Fe C19 H19 122.1(10) .
C16 C20 C19 108.10(9) .
C16 C20 Fe 70.11(6) .
C19 C20 Fe 69.68(6) .
C16 C20 H20 125.6(10) .
C19 C20 H20 126.1(10) .
Fe C20 H20 121.9(10) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe C20 2.0359(10) .
Fe C15 2.0384(9) .
Fe C11 2.0405(9) .
Fe C19 2.0409(10) .
Fe C16 2.0492(10) .
Fe C12 2.0498(9) .
Fe C14 2.0554(9) .
Fe C17 2.0562(10) .
Fe C18 2.0581(10) .
Fe C13 2.0588(9) .
C1 C2 1.2113(14) .
C1 C11 1.4182(13) .
C2 C3 1.3622(14) .
C3 C3 1.215(2) 3_566
C11 C15 1.4374(14) .
C11 C12 1.4387(13) .
C12 C13 1.4222(13) .
C12 H12 0.938(16) .
C13 C14 1.4261(14) .
C13 H13 0.959(15) .
C14 C15 1.4232(14) .
C14 H14 0.952(15) .
C15 H15 0.934(16) .
C16 C20 1.4234(15) .
C16 C17 1.4262(15) .
C16 H16 0.928(18) .
C17 C18 1.4250(16) .
C17 H17 0.952(17) .
C18 C19 1.4271(15) .
C18 H18 0.943(18) .
C19 C20 1.4280(15) .
C19 H19 0.965(17) .
C20 H20 0.966(17) .
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_4
C11 C1 C2 C3 162(100) .
C1 C2 C3 C3 -108(27) 3_566
C2 C1 C11 C15 -96(30) .
C2 C1 C11 C12 85(30) .
C2 C1 C11 Fe 175(100) .
C20 Fe C11 C1 40.81(10) .
C15 Fe C11 C1 120.66(11) .
C19 Fe C11 C1 -1.90(10) .
C16 Fe C11 C1 73.36(13) .
C12 Fe C11 C1 -120.03(11) .
C14 Fe C11 C1 158.55(10) .
C17 Fe C11 C1 -71.58(17) .
C18 Fe C11 C1 -42.40(10) .
C13 Fe C11 C1 -157.73(10) .
C20 Fe C11 C15 -79.85(7) .
C19 Fe C11 C15 -122.56(6) .
C16 Fe C11 C15 -47.29(11) .
C12 Fe C11 C15 119.31(8) .
C14 Fe C11 C15 37.89(6) .
C17 Fe C11 C15 167.77(13) .
C18 Fe C11 C15 -163.05(6) .
C13 Fe C11 C15 81.61(6) .
C20 Fe C11 C12 160.84(6) .
C15 Fe C11 C12 -119.31(8) .
C19 Fe C11 C12 118.13(6) .
C16 Fe C11 C12 -166.60(8) .
C14 Fe C11 C12 -81.42(6) .
C17 Fe C11 C12 48.46(16) .
C18 Fe C11 C12 77.64(7) .
C13 Fe C11 C12 -37.70(5) .
C1 C11 C12 C13 179.50(9) .
C15 C11 C12 C13 0.78(10) .
Fe C11 C12 C13 59.77(6) .
C1 C11 C12 Fe 119.73(9) .
C15 C11 C12 Fe -58.99(6) .
C20 Fe C12 C13 -161.81(9) .
C15 Fe C12 C13 -80.88(6) .
C11 Fe C12 C13 -118.82(8) .
C19 Fe C12 C13 161.44(6) .
C16 Fe C12 C13 40.01(16) .
C14 Fe C12 C13 -37.15(6) .
C17 Fe C12 C13 76.38(7) .
C18 Fe C12 C13 118.10(6) .
C20 Fe C12 C11 -42.99(12) .
C15 Fe C12 C11 37.93(6) .
C19 Fe C12 C11 -79.75(6) .
C16 Fe C12 C11 158.83(13) .
C14 Fe C12 C11 81.66(6) .
C17 Fe C12 C11 -164.81(6) .
C18 Fe C12 C11 -123.08(6) .
C13 Fe C12 C11 118.82(8) .
C11 C12 C13 C14 -0.40(11) .
Fe C12 C13 C14 58.73(7) .
C11 C12 C13 Fe -59.12(6) .
C20 Fe C13 C12 155.04(12) .
C15 Fe C13 C12 82.81(6) .
C11 Fe C13 C12 38.32(6) .
C19 Fe C13 C12 -43.63(12) .
C16 Fe C13 C12 -166.93(6) .
C14 Fe C13 C12 120.17(8) .
C17 Fe C13 C12 -124.44(6) .
C18 Fe C13 C12 -81.36(7) .
C20 Fe C13 C14 34.87(15) .
C15 Fe C13 C14 -37.37(6) .
C11 Fe C13 C14 -81.86(6) .
C19 Fe C13 C14 -163.80(9) .
C16 Fe C13 C14 72.89(7) .
C12 Fe C13 C14 -120.17(8) .
C17 Fe C13 C14 115.39(6) .
C18 Fe C13 C14 158.47(6) .
C12 C13 C14 C15 -0.15(11) .
Fe C13 C14 C15 58.47(7) .
C12 C13 C14 Fe -58.61(7) .
C20 Fe C14 C15 72.50(7) .
C11 Fe C14 C15 -38.42(6) .
C19 Fe C14 C15 40.33(15) .
C16 Fe C14 C15 114.06(6) .
C12 Fe C14 C15 -82.81(6) .
C17 Fe C14 C15 156.12(6) .
C18 Fe C14 C15 -171.35(10) .
C13 Fe C14 C15 -119.91(8) .
C20 Fe C14 C13 -167.59(6) .
C15 Fe C14 C13 119.91(8) .
C11 Fe C14 C13 81.49(6) .
C19 Fe C14 C13 160.24(11) .
C16 Fe C14 C13 -126.04(6) .
C12 Fe C14 C13 37.10(5) .
C17 Fe C14 C13 -83.98(7) .
C18 Fe C14 C13 -51.44(12) .
C13 C14 C15 C11 0.63(11) .
Fe C14 C15 C11 59.61(6) .
C13 C14 C15 Fe -58.98(7) .
C1 C11 C15 C14 -179.58(9) .
C12 C11 C15 C14 -0.87(10) .
Fe C11 C15 C14 -60.15(7) .
C1 C11 C15 Fe -119.43(10) .
C12 C11 C15 Fe 59.28(6) .
C20 Fe C15 C14 -124.80(6) .
C11 Fe C15 C14 118.65(8) .
C19 Fe C15 C14 -165.27(6) .
C16 Fe C15 C14 -83.10(7) .
C12 Fe C15 C14 80.79(6) .
C17 Fe C15 C14 -53.45(12) .
C18 Fe C15 C14 168.84(12) .
C13 Fe C15 C14 37.26(6) .
C20 Fe C15 C11 116.56(6) .
C19 Fe C15 C11 76.08(7) .
C16 Fe C15 C11 158.25(6) .
C12 Fe C15 C11 -37.86(5) .
C14 Fe C15 C11 -118.65(8) .
C17 Fe C15 C11 -172.10(9) .
C18 Fe C15 C11 50.19(15) .
C13 Fe C15 C11 -81.39(6) .
C15 Fe C16 C20 -79.76(7) .
C11 Fe C16 C20 -46.33(11) .
C19 Fe C16 C20 37.98(6) .
C12 Fe C16 C20 166.09(13) .
C14 Fe C16 C20 -122.33(6) .
C17 Fe C16 C20 119.37(9) .
C18 Fe C16 C20 81.91(7) .
C13 Fe C16 C20 -162.85(6) .
C20 Fe C16 C17 -119.37(9) .
C15 Fe C16 C17 160.87(6) .
C11 Fe C16 C17 -165.70(8) .
C19 Fe C16 C17 -81.39(7) .
C12 Fe C16 C17 46.72(16) .
C14 Fe C16 C17 118.30(6) .
C18 Fe C16 C17 -37.47(6) .
C13 Fe C16 C17 77.78(7) .
C20 C16 C17 C18 0.41(11) .
Fe C16 C17 C18 59.26(7) .
C20 C16 C17 Fe -58.85(7) .
C20 Fe C17 C18 -81.80(7) .
C15 Fe C17 C18 -161.42(9) .
C11 Fe C17 C18 37.47(17) .
C19 Fe C17 C18 -37.58(6) .
C16 Fe C17 C18 -119.50(9) .
C12 Fe C17 C18 75.51(7) .
C14 Fe C17 C18 160.87(6) .
C13 Fe C17 C18 117.55(6) .
C20 Fe C17 C16 37.70(6) .
C15 Fe C17 C16 -41.92(12) .
C11 Fe C17 C16 156.97(13) .
C19 Fe C17 C16 81.92(7) .
C12 Fe C17 C16 -164.99(6) .
C14 Fe C17 C16 -79.63(7) .
C18 Fe C17 C16 119.50(9) .
C13 Fe C17 C16 -122.95(6) .
C16 C17 C18 C19 -0.48(11) .
Fe C17 C18 C19 58.54(7) .
C16 C17 C18 Fe -59.01(7) .
C20 Fe C18 C17 81.55(7) .
C15 Fe C18 C17 153.46(12) .
C11 Fe C18 C17 -167.87(6) .
C19 Fe C18 C17 119.61(9) .
C16 Fe C18 C17 37.58(6) .
C12 Fe C18 C17 -124.99(6) .
C14 Fe C18 C17 -45.13(13) .
C13 Fe C18 C17 -82.21(7) .
C20 Fe C18 C19 -38.05(6) .
C15 Fe C18 C19 33.85(16) .
C11 Fe C18 C19 72.52(7) .
C16 Fe C18 C19 -82.03(7) .
C12 Fe C18 C19 115.40(6) .
C14 Fe C18 C19 -164.74(9) .
C17 Fe C18 C19 -119.61(9) .
C13 Fe C18 C19 158.18(6) .
C17 C18 C19 C20 0.36(11) .
Fe C18 C19 C20 59.32(7) .
C17 C18 C19 Fe -58.96(7) .
C20 Fe C19 C18 118.97(9) .
C15 Fe C19 C18 -168.12(6) .
C11 Fe C19 C18 -126.22(6) .
C16 Fe C19 C18 81.19(7) .
C12 Fe C19 C18 -83.70(7) .
C14 Fe C19 C18 161.43(11) .
C17 Fe C19 C18 37.38(6) .
C13 Fe C19 C18 -52.26(12) .
C15 Fe C19 C20 72.91(7) .
C11 Fe C19 C20 114.81(6) .
C16 Fe C19 C20 -37.78(6) .
C12 Fe C19 C20 157.33(6) .
C14 Fe C19 C20 42.46(15) .
C17 Fe C19 C20 -81.59(7) .
C18 Fe C19 C20 -118.97(9) .
C13 Fe C19 C20 -171.23(9) .
C17 C16 C20 C19 -0.19(11) .
Fe C16 C20 C19 -59.56(7) .
C17 C16 C20 Fe 59.37(7) .
C18 C19 C20 C16 -0.10(11) .
Fe C19 C20 C16 59.82(7) .
C18 C19 C20 Fe -59.93(7) .
C15 Fe C20 C16 116.35(6) .
C11 Fe C20 C16 158.56(6) .
C19 Fe C20 C16 -119.09(9) .
C12 Fe C20 C16 -170.68(8) .
C14 Fe C20 C16 76.30(7) .
C17 Fe C20 C16 -37.59(6) .
C18 Fe C20 C16 -81.27(7) .
C13 Fe C20 C16 49.76(15) .
C15 Fe C20 C19 -124.56(6) .
C11 Fe C20 C19 -82.35(7) .
C16 Fe C20 C19 119.09(9) .
C12 Fe C20 C19 -51.59(12) .
C14 Fe C20 C19 -164.61(6) .
C17 Fe C20 C19 81.50(7) .
C18 Fe C20 C19 37.82(6) .
C13 Fe C20 C19 168.85(11) .
