#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:50:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178703 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/14/4081499.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_4081499
loop_
_publ_author_name
'Dwadnia, Nejib'
'Allouch, Fatima'
'Pirio, Nadine'
'Roger, Julien'
'Cattey, Hélène'
'Fournier, Sophie'
'Penouilh, Marie-Josée'
'Devillers, Charles H.'
'Lucas, Dominique'
'Naoufal, Daoud'
'Ben Salem, Ridha'
'Hierso, Jean-Cyrille'
_publ_section_title
;
 Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward
 Synthetic Routes, Structural Characterization, and Electrochemical
 Analysis
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              5784
_journal_paper_doi               10.1021/om400317s
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C26 H31 Fe2 N'
_chemical_formula_sum            'C26 H31 Fe2 N'
_chemical_formula_weight         469.22
_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
_audit_update_record
;
2013-03-25 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.277(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.6185(7)
_cell_length_b                   12.3572(7)
_cell_length_c                   10.3747(5)
_cell_measurement_reflns_used    7213
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     2130.50(18)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'KappaCCD Server Software (Nonius,1997)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEPIII (Burnett, 1996)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1993)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'φ scans (κ = 0) + additional 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  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0504
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6195
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         2.85
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.374
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.505
_refine_diff_density_min         -0.495
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.228
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         4773
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.228
_refine_ls_R_factor_all          0.0980
_refine_ls_R_factor_gt           0.0615
_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)+(0.0000P)²+8.8168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1300
_reflns_number_gt                3591
_reflns_number_total             4773
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400317s_si_002.cif
_cod_data_source_block           1205np14c_compound13
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4081499
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
_atom_site_refinement_flags
C1 C 0.1791(2) 0.2856(4) 0.3433(4) 0.0209(9) Uani 1 1 d .
C2 C 0.1523(3) 0.3321(4) 0.4609(4) 0.0214(9) Uani 1 1 d .
H2 H 0.1269 0.2951 0.5274 0.026 Uiso 1 1 calc R
C3 C 0.1708(3) 0.4442(4) 0.4601(4) 0.0254(10) Uani 1 1 d .
H3 H 0.1599 0.4932 0.5258 0.030 Uiso 1 1 calc R
C4 C 0.2140(2) 0.3704(4) 0.2691(4) 0.0220(9) Uani 1 1 d .
H4 H 0.2363 0.3632 0.1875 0.026 Uiso 1 1 calc R
C5 C 0.2087(3) 0.4684(4) 0.3415(5) 0.0249(10) Uani 1 1 d .
H5 H 0.2270 0.5360 0.3155 0.030 Uiso 1 1 calc R
C6 C 0.0031(3) 0.3373(4) 0.2090(5) 0.0282(10) Uani 1 1 d .
H6 H -0.0022 0.2648 0.1864 0.034 Uiso 1 1 calc R
C7 C -0.0245(3) 0.3853(4) 0.3249(5) 0.0274(10) Uani 1 1 d .
H7 H -0.0508 0.3500 0.3917 0.033 Uiso 1 1 calc R
C8 C -0.0048(3) 0.4976(4) 0.3204(4) 0.0259(10) Uani 1 1 d .
H8 H -0.0160 0.5486 0.3837 0.031 Uiso 1 1 calc R
C9 C 0.0351(3) 0.5174(4) 0.2027(4) 0.0260(10) Uani 1 1 d .
H9 H 0.0547 0.5839 0.1752 0.031 Uiso 1 1 calc R
C10 C 0.0399(3) 0.4189(4) 0.1337(4) 0.0289(11) Uani 1 1 d .
H10 H 0.0632 0.4093 0.0531 0.035 Uiso 1 1 calc R
C11 C 0.3465(2) 0.0980(3) 0.2709(4) 0.0190(8) Uani 1 1 d .
C12 C 0.3599(2) 0.1685(4) 0.1642(4) 0.0221(9) Uani 1 1 d .
H12 H 0.3457 0.2413 0.1608 0.027 Uiso 1 1 calc R
C13 C 0.3981(3) 0.1103(4) 0.0643(4) 0.0249(9) Uani 1 1 d .
H13 H 0.4136 0.1381 -0.0151 0.030 Uiso 1 1 calc R
C14 C 0.4087(3) 0.0022(4) 0.1069(4) 0.0255(10) Uani 1 1 d .
H14 H 0.4323 -0.0536 0.0603 0.031 Uiso 1 1 calc R
C15 C 0.3767(3) -0.0060(4) 0.2332(4) 0.0233(9) Uani 1 1 d .
H15 H 0.3756 -0.0685 0.2831 0.028 Uiso 1 1 calc R
C16 C 0.5197(3) 0.1630(4) 0.3936(5) 0.0309(11) Uani 1 1 d .
H16 H 0.4936 0.1798 0.4701 0.037 Uiso 1 1 calc R
C17 C 0.5336(3) 0.2345(4) 0.2905(5) 0.0353(12) Uani 1 1 d .
H17 H 0.5181 0.3068 0.2874 0.042 Uiso 1 1 calc R
C18 C 0.5749(3) 0.1784(4) 0.1926(5) 0.0324(11) Uani 1 1 d .
H18 H 0.5913 0.2072 0.1141 0.039 Uiso 1 1 calc R
C19 C 0.5872(3) 0.0701(4) 0.2350(5) 0.0313(11) Uani 1 1 d .
H19 H 0.6131 0.0155 0.1895 0.038 Uiso 1 1 calc R
C20 C 0.5527(3) 0.0607(5) 0.3601(5) 0.0329(11) Uani 1 1 d .
H20 H 0.5518 -0.0013 0.4108 0.039 Uiso 1 1 calc R
C21 C 0.1730(3) 0.1677(3) 0.3102(4) 0.0215(9) Uani 1 1 d .
H21A H 0.1170 0.1459 0.3110 0.026 Uiso 1 1 calc R
H21B H 0.1936 0.1561 0.2240 0.026 Uiso 1 1 calc R
C22 C 0.3062(2) 0.1254(3) 0.3963(4) 0.0190(8) Uani 1 1 d .
H22A H 0.3332 0.0861 0.4649 0.023 Uiso 1 1 calc R
H22B H 0.3137 0.2020 0.4129 0.023 Uiso 1 1 calc R
C23 C 0.2007(3) -0.0149(3) 0.3824(4) 0.0218(9) Uani 1 1 d .
H23A H 0.2246 -0.0383 0.3020 0.026 Uiso 1 1 calc R
H23B H 0.1429 -0.0241 0.3749 0.026 Uiso 1 1 calc R
C24 C 0.2320(3) -0.0867(4) 0.4914(4) 0.0251(10) Uani 1 1 d .
H24A H 0.2898 -0.0772 0.4991 0.030 Uiso 1 1 calc R
H24B H 0.2080 -0.0634 0.5718 0.030 Uiso 1 1 calc R
C25 C 0.2142(3) -0.2050(4) 0.4719(5) 0.0330(11) Uani 1 1 d .
H25A H 0.2404 -0.2296 0.3939 0.040 Uiso 1 1 calc R
H25B H 0.1566 -0.2146 0.4606 0.040 Uiso 1 1 calc R
C26 C 0.2426(3) -0.2733(4) 0.5844(5) 0.0384(13) Uani 1 1 d .
H26A H 0.2985 -0.2591 0.6009 0.058 Uiso 1 1 calc R
H26B H 0.2355 -0.3485 0.5641 0.058 Uiso 1 1 calc R
H26C H 0.2118 -0.2556 0.6595 0.058 Uiso 1 1 calc R
Fe1 Fe 0.09698(3) 0.40567(5) 0.30795(6) 0.01846(15) Uani 1 1 d .
Fe2 Fe 0.46642(4) 0.10653(5) 0.22975(6) 0.02034(16) Uani 1 1 d .
N N 0.2188(2) 0.1009(3) 0.4024(3) 0.0181(7) Uani 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'
N N 0.0061 0.0033 '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
C2 C1 C4 107.2(4)
C2 C1 C21 124.6(4)
C4 C1 C21 128.1(4)
C2 C1 Fe1 69.5(2)
C4 C1 Fe1 69.1(2)
C21 C1 Fe1 128.3(3)
C3 C2 C1 108.7(4)
C3 C2 Fe1 70.0(3)
C1 C2 Fe1 69.8(2)
C3 C2 H2 125.7
C1 C2 H2 125.7
Fe1 C2 H2 126.2
C5 C3 C2 107.9(4)
C5 C3 Fe1 69.4(3)
C2 C3 Fe1 69.5(2)
C5 C3 H3 126.0
C2 C3 H3 126.0
Fe1 C3 H3 126.7
C1 C4 C5 108.3(4)
C1 C4 Fe1 70.0(2)
C5 C4 Fe1 69.7(2)
C1 C4 H4 125.9
C5 C4 H4 125.9
Fe1 C4 H4 125.9
C3 C5 C4 107.9(4)
C3 C5 Fe1 70.1(3)
C4 C5 Fe1 69.3(2)
C3 C5 H5 126.1
C4 C5 H5 126.1
Fe1 C5 H5 126.1
C10 C6 C7 108.2(4)
C10 C6 Fe1 69.6(3)
C7 C6 Fe1 69.6(3)
C10 C6 H6 125.9
C7 C6 H6 125.9
Fe1 C6 H6 126.4
C6 C7 C8 107.7(4)
C6 C7 Fe1 69.8(3)
C8 C7 Fe1 69.5(2)
C6 C7 H7 126.2
C8 C7 H7 126.2
Fe1 C7 H7 126.1
C9 C8 C7 107.8(4)
C9 C8 Fe1 69.6(2)
C7 C8 Fe1 69.6(2)
C9 C8 H8 126.1
C7 C8 H8 126.1
Fe1 C8 H8 126.3
C8 C9 C10 108.4(4)
C8 C9 Fe1 69.9(2)
C10 C9 Fe1 70.0(3)
C8 C9 H9 125.8
C10 C9 H9 125.8
Fe1 C9 H9 125.9
C9 C10 C6 107.9(4)
C9 C10 Fe1 69.4(3)
C6 C10 Fe1 69.8(3)
C9 C10 H10 126.0
C6 C10 H10 126.0
Fe1 C10 H10 126.3
C12 C11 C15 106.2(4)
C12 C11 C22 127.3(4)
C15 C11 C22 126.5(4)
C12 C11 Fe2 69.5(2)
C15 C11 Fe2 69.3(2)
C22 C11 Fe2 127.4(3)
C13 C12 C11 109.3(4)
C13 C12 Fe2 70.2(2)
C11 C12 Fe2 69.6(2)
C13 C12 H12 125.4
C11 C12 H12 125.4
Fe2 C12 H12 126.4
C12 C13 C14 107.8(4)
C12 C13 Fe2 69.4(2)
C14 C13 Fe2 69.6(3)
C12 C13 H13 126.1
C14 C13 H13 126.1
Fe2 C13 H13 126.5
C13 C14 C15 108.0(4)
C13 C14 Fe2 70.0(3)
C15 C14 Fe2 69.3(3)
C13 C14 H14 126.0
C15 C14 H14 126.0
Fe2 C14 H14 126.3
C14 C15 C11 108.7(4)
C14 C15 Fe2 70.0(3)
C11 C15 Fe2 69.6(2)
C14 C15 H15 125.6
C11 C15 H15 125.6
Fe2 C15 H15 126.3
C17 C16 C20 107.9(5)
C17 C16 Fe2 69.7(3)
C20 C16 Fe2 70.0(3)
C17 C16 H16 126.0
C20 C16 H16 126.0
Fe2 C16 H16 125.9
C16 C17 C18 108.7(5)
C16 C17 Fe2 69.9(3)
C18 C17 Fe2 70.3(3)
C16 C17 H17 125.6
C18 C17 H17 125.6
Fe2 C17 H17 125.7
C17 C18 C19 108.0(5)
C17 C18 Fe2 69.2(3)
C19 C18 Fe2 70.1(3)
C17 C18 H18 126.0
C19 C18 H18 126.0
Fe2 C18 H18 126.3
C18 C19 C20 107.5(4)
C18 C19 Fe2 69.4(3)
C20 C19 Fe2 69.2(3)
C18 C19 H19 126.3
C20 C19 H19 126.3
Fe2 C19 H19 126.7
C16 C20 C19 107.9(5)
C16 C20 Fe2 69.3(3)
C19 C20 Fe2 70.1(3)
C16 C20 H20 126.1
C19 C20 H20 126.1
Fe2 C20 H20 126.1
N C21 C1 111.2(3)
N C21 H21A 109.4
C1 C21 H21A 109.4
N C21 H21B 109.4
C1 C21 H21B 109.4
H21A C21 H21B 108.0
N C22 C11 115.5(3)
N C22 H22A 108.4
C11 C22 H22A 108.4
N C22 H22B 108.4
C11 C22 H22B 108.4
H22A C22 H22B 107.5
N C23 C24 113.0(3)
N C23 H23A 109.0
C24 C23 H23A 109.0
N C23 H23B 109.0
C24 C23 H23B 109.0
H23A C23 H23B 107.8
C25 C24 C23 113.5(4)
C25 C24 H24A 108.9
C23 C24 H24A 108.9
C25 C24 H24B 108.9
C23 C24 H24B 108.9
H24A C24 H24B 107.7
C24 C25 C26 112.2(4)
C24 C25 H25A 109.2
C26 C25 H25A 109.2
C24 C25 H25B 109.2
C26 C25 H25B 109.2
H25A C25 H25B 107.9
C25 C26 H26A 109.5
C25 C26 H26B 109.5
H26A C26 H26B 109.5
C25 C26 H26C 109.5
H26A C26 H26C 109.5
H26B C26 H26C 109.5
C4 Fe1 C9 121.31(19)
C4 Fe1 C5 41.00(18)
C9 Fe1 C5 106.93(19)
C4 Fe1 C8 157.53(19)
C9 Fe1 C8 40.56(18)
C5 Fe1 C8 122.10(19)
C4 Fe1 C7 159.46(19)
C9 Fe1 C7 68.44(19)
C5 Fe1 C7 158.6(2)
C8 Fe1 C7 40.87(19)
C4 Fe1 C2 68.39(17)
C9 Fe1 C2 160.47(19)
C5 Fe1 C2 68.32(18)
C8 Fe1 C2 124.63(18)
C7 Fe1 C2 108.64(18)
C4 Fe1 C10 106.36(18)
C9 Fe1 C10 40.58(19)
C5 Fe1 C10 122.6(2)
C8 Fe1 C10 68.32(18)
C7 Fe1 C10 68.4(2)
C2 Fe1 C10 158.02(19)
C4 Fe1 C6 122.65(19)
C9 Fe1 C6 68.20(19)
C5 Fe1 C6 159.0(2)
C8 Fe1 C6 68.37(19)
C7 Fe1 C6 40.60(19)
C2 Fe1 C6 123.03(19)
C10 Fe1 C6 40.5(2)
C4 Fe1 C1 40.88(17)
C9 Fe1 C1 157.20(19)
C5 Fe1 C1 68.87(18)
C8 Fe1 C1 160.59(19)
C7 Fe1 C1 123.60(19)
C2 Fe1 C1 40.67(17)
C10 Fe1 C1 121.48(18)
C6 Fe1 C1 107.25(18)
C4 Fe1 C3 68.49(18)
C9 Fe1 C3 123.66(19)
C5 Fe1 C3 40.51(18)
C8 Fe1 C3 108.35(19)
C7 Fe1 C3 123.39(19)
C2 Fe1 C3 40.57(18)
C10 Fe1 C3 159.3(2)
C6 Fe1 C3 159.1(2)
C1 Fe1 C3 68.58(18)
C17 Fe2 C16 40.4(2)
C17 Fe2 C15 157.7(2)
C16 Fe2 C15 122.3(2)
C17 Fe2 C12 106.6(2)
C16 Fe2 C12 121.49(19)
C15 Fe2 C12 68.22(17)
C17 Fe2 C11 120.66(19)
C16 Fe2 C11 105.32(18)
C15 Fe2 C11 41.17(17)
C12 Fe2 C11 40.90(17)
C17 Fe2 C20 68.2(2)
C16 Fe2 C20 40.7(2)
C15 Fe2 C20 108.1(2)
C12 Fe2 C20 158.02(19)
C11 Fe2 C20 121.91(19)
C17 Fe2 C18 40.4(2)
C16 Fe2 C18 68.2(2)
C15 Fe2 C18 160.6(2)
C12 Fe2 C18 122.5(2)
C11 Fe2 C18 157.25(19)
C20 Fe2 C18 68.3(2)
C17 Fe2 C14 159.5(2)
C16 Fe2 C14 159.4(2)
C15 Fe2 C14 40.63(18)
C12 Fe2 C14 68.05(18)
C11 Fe2 C14 69.09(17)
C20 Fe2 C14 124.2(2)
C18 Fe2 C14 124.47(19)
C17 Fe2 C13 122.8(2)
C16 Fe2 C13 157.8(2)
C15 Fe2 C13 68.21(18)
C12 Fe2 C13 40.39(17)
C11 Fe2 C13 68.90(17)
C20 Fe2 C13 160.3(2)
C18 Fe2 C13 108.43(19)
C14 Fe2 C13 40.45(18)
C17 Fe2 C19 68.1(2)
C16 Fe2 C19 68.43(19)
C15 Fe2 C19 124.3(2)
C12 Fe2 C19 159.16(19)
C11 Fe2 C19 159.4(2)
C20 Fe2 C19 40.70(19)
C18 Fe2 C19 40.5(2)
C14 Fe2 C19 109.45(19)
C13 Fe2 C19 124.21(19)
C21 N C23 110.4(3)
C21 N C22 111.2(3)
C23 N C22 112.9(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C1 C2 1.422(6)
C1 C4 1.425(6)
C1 C21 1.500(6)
C1 Fe1 2.047(4)
C2 C3 1.420(6)
C2 Fe1 2.044(4)
C2 H2 0.9300
C3 C5 1.417(7)
C3 Fe1 2.051(4)
C3 H3 0.9300
C4 C5 1.427(6)
C4 Fe1 2.034(4)
C4 H4 0.9300
C5 Fe1 2.041(4)
C5 H5 0.9300
C6 C10 1.416(7)
C6 C7 1.419(7)
C6 Fe1 2.047(4)
C6 H6 0.9300
C7 C8 1.426(7)
C7 Fe1 2.043(4)
C7 H7 0.9300
C8 C9 1.413(6)
C8 Fe1 2.041(4)
C8 H8 0.9300
C9 C10 1.415(7)
C9 Fe1 2.037(4)
C9 H9 0.9300
C10 Fe1 2.044(4)
C10 H10 0.9300
C11 C12 1.428(6)
C11 C15 1.435(6)
C11 C22 1.504(6)
C11 Fe2 2.043(4)
C12 C13 1.414(6)
C12 Fe2 2.043(4)
C12 H12 0.9300
C13 C14 1.418(7)
C13 Fe2 2.054(4)
C13 H13 0.9300
C14 C15 1.419(6)
C14 Fe2 2.049(5)
C14 H14 0.9300
C15 Fe2 2.039(4)
C15 H15 0.9300
C16 C17 1.407(7)
C16 C20 1.421(7)
C16 Fe2 2.036(5)
C16 H16 0.9300
C17 C18 1.411(7)
C17 Fe2 2.034(5)
C17 H17 0.9300
C18 C19 1.423(7)
C18 Fe2 2.049(5)
C18 H18 0.9300
C19 C20 1.427(7)
C19 Fe2 2.058(4)
C19 H19 0.9300
C20 Fe2 2.046(5)
C20 H20 0.9300
C21 N 1.473(5)
C21 H21A 0.9700
C21 H21B 0.9700
C22 N 1.485(5)
C22 H22A 0.9700
C22 H22B 0.9700
C23 N 1.477(5)
C23 C24 1.527(6)
C23 H23A 0.9700
C23 H23B 0.9700
C24 C25 1.504(6)
C24 H24A 0.9700
C24 H24B 0.9700
C25 C26 1.514(6)
C25 H25A 0.9700
C25 H25B 0.9700
C26 H26A 0.9600
C26 H26B 0.9600
C26 H26C 0.9600
