#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:24:32 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178606 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/17/4071752.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_4071752
loop_
_publ_author_name
'Sasamori, Takahiro'
'Yuasa, Akihiro'
'Hosoi, Yoshinobu'
'Furukawa, Yukio'
'Tokitoh, Norihiro'
_publ_section_title
;
 1,2-Bis(ferrocenyl)disilene: A Multistep Redox System with an SiSi Double
 Bond
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3325
_journal_paper_doi               10.1021/om8003543
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C50 H64 Fe2 Si2, C4 H8 O'
_chemical_formula_sum            'C54 H72 Fe2 O Si2'
_chemical_formula_weight         905.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 106.2743(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.3619(7)
_cell_length_b                   10.0596(3)
_cell_length_c                   26.0871(8)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      2.30
_cell_volume                     4877.5(3)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            21016
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.30
_exptl_absorpt_coefficient_mu    0.681
_exptl_absorpt_correction_T_max  0.9351
_exptl_absorpt_correction_T_min  0.7493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.232
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.566
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0446
_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)+(0.0662P)²+0.4093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1238
_reflns_number_gt                3202
_reflns_number_total             4530
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8003543-file001.cif
_cod_data_source_block           fcsisi
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4071752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Si1 Si 0.20217(4) 0.19756(8) 0.50288(3) 0.0222(2) Uani 1 1 d .
C1 C 0.15312(14) 0.0951(3) 0.44537(12) 0.0226(6) Uani 1 1 d .
C2 C 0.11820(15) -0.0306(3) 0.44571(12) 0.0259(7) Uani 1 1 d .
H1 H 0.1181 -0.0804 0.4766 0.031 Uiso 1 1 calc R
C3 C 0.08415(16) -0.0681(3) 0.39261(13) 0.0318(8) Uani 1 1 d .
H2 H 0.0576 -0.1475 0.3817 0.038 Uiso 1 1 calc R
C4 C 0.09627(17) 0.0328(3) 0.35821(13) 0.0347(8) Uani 1 1 d .
H3 H 0.0791 0.0332 0.3203 0.042 Uiso 1 1 calc R
C5 C 0.13856(16) 0.1328(3) 0.39054(12) 0.0304(7) Uani 1 1 d .
H4 H 0.1546 0.2122 0.3778 0.037 Uiso 1 1 calc R
Fe1 Fe 0.04405(2) 0.10927(4) 0.409524(18) 0.02607(15) Uani 1 1 d .
C6 C -0.0214(2) 0.1547(5) 0.4561(2) 0.0683(14) Uani 1 1 d .
H5 H -0.0138 0.1284 0.4922 0.082 Uiso 1 1 calc R
C7 C 0.00223(17) 0.2703(3) 0.43896(14) 0.0382(8) Uani 1 1 d .
H6 H 0.0288 0.3381 0.4614 0.046 Uiso 1 1 calc R
C8 C -0.0187(2) 0.2724(4) 0.38400(15) 0.0516(11) Uani 1 1 d .
H7 H -0.0091 0.3417 0.3622 0.062 Uiso 1 1 calc R
C9 C -0.0562(2) 0.1566(6) 0.3659(2) 0.092(2) Uani 1 1 d .
H8 H -0.0765 0.1319 0.3296 0.111 Uiso 1 1 calc R
C10 C -0.0587(2) 0.0818(4) 0.4110(4) 0.108(3) Uani 1 1 d .
H9 H -0.0814 -0.0020 0.4108 0.130 Uiso 1 1 calc R
C11 C 0.20312(14) 0.1453(3) 0.57225(11) 0.0205(6) Uani 1 1 d .
C12 C 0.17367(14) 0.2322(3) 0.60307(11) 0.0210(6) Uani 1 1 d .
C13 C 0.18807(15) 0.2106(3) 0.65800(11) 0.0249(7) Uani 1 1 d .
H10 H 0.1683 0.2697 0.6786 0.030 Uiso 1 1 calc R
C14 C 0.23061(16) 0.1050(3) 0.68337(12) 0.0248(6) Uani 1 1 d .
C15 C 0.25661(15) 0.0179(3) 0.65209(11) 0.0231(6) Uani 1 1 d .
H11 H 0.2846 -0.0560 0.6687 0.028 Uiso 1 1 calc R
C16 C 0.24340(14) 0.0343(3) 0.59726(11) 0.0206(6) Uani 1 1 d .
C17 C 0.12732(15) 0.3500(3) 0.57826(12) 0.0249(7) Uani 1 1 d .
H12 H 0.1187 0.3433 0.5387 0.030 Uiso 1 1 calc R
C18 C 0.24955(18) 0.0892(3) 0.74353(12) 0.0298(7) Uani 1 1 d .
H13 H 0.2779 0.0054 0.7531 0.036 Uiso 1 1 calc R
C19 C 0.27396(15) -0.0675(3) 0.56610(12) 0.0239(7) Uani 1 1 d .
H14 H 0.2554 -0.0445 0.5274 0.029 Uiso 1 1 calc R
C20 C 0.05360(17) 0.3473(3) 0.58905(14) 0.0371(8) Uani 1 1 d .
H15 H 0.0297 0.2627 0.5766 0.056 Uiso 1 1 calc R
H16 H 0.0241 0.4208 0.5700 0.056 Uiso 1 1 calc R
H17 H 0.0598 0.3567 0.6275 0.056 Uiso 1 1 calc R
C21 C 0.16544(17) 0.4821(3) 0.59574(14) 0.0383(8) Uani 1 1 d .
H18 H 0.1742 0.4929 0.6344 0.057 Uiso 1 1 calc R
H19 H 0.1352 0.5552 0.5771 0.057 Uiso 1 1 calc R
H20 H 0.2114 0.4831 0.5869 0.057 Uiso 1 1 calc R
C22 C 0.1832(2) 0.0771(4) 0.76360(14) 0.0442(9) Uani 1 1 d .
H21 H 0.1549 0.1592 0.7556 0.066 Uiso 1 1 calc R
H22 H 0.1980 0.0623 0.8023 0.066 Uiso 1 1 calc R
H23 H 0.1538 0.0020 0.7458 0.066 Uiso 1 1 calc R
C23 C 0.2972(2) 0.2042(3) 0.77102(13) 0.0476(10) Uani 1 1 d .
H24 H 0.3402 0.2086 0.7582 0.071 Uiso 1 1 calc R
H25 H 0.3116 0.1899 0.8097 0.071 Uiso 1 1 calc R
H26 H 0.2704 0.2878 0.7627 0.071 Uiso 1 1 calc R
C24 C 0.24748(17) -0.2080(3) 0.57333(12) 0.0295(7) Uani 1 1 d .
H27 H 0.2647 -0.2703 0.5507 0.044 Uiso 1 1 calc R
H28 H 0.1948 -0.2089 0.5630 0.044 Uiso 1 1 calc R
H29 H 0.2661 -0.2347 0.6108 0.044 Uiso 1 1 calc R
C25 C 0.35572(16) -0.0622(3) 0.58082(14) 0.0373(8) Uani 1 1 d .
H30 H 0.3756 -0.0884 0.6183 0.056 Uiso 1 1 calc R
H31 H 0.3712 0.0284 0.5758 0.056 Uiso 1 1 calc R
H32 H 0.3730 -0.1234 0.5579 0.056 Uiso 1 1 calc R
O1 O 0.0000 0.6938(9) 0.2500 0.198(4) Uani 1 2 d S
C26 C 0.0605(4) 0.6076(8) 0.2465(3) 0.131(3) Uani 1 1 d .
H33 H 0.0687 0.6142 0.2108 0.157 Uiso 1 1 calc R
H34 H 0.1054 0.6322 0.2739 0.157 Uiso 1 1 calc R
C27 C 0.0382(5) 0.4796(9) 0.2555(4) 0.227(7) Uani 1 1 d .
H35 H 0.0607 0.4532 0.2930 0.273 Uiso 1 1 calc R
H36 H 0.0530 0.4151 0.2319 0.273 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
C1 Si1 C11 119.31(12) . .
C1 Si1 Si1 117.94(10) . 7_556
C11 Si1 Si1 115.08(10) . 7_556
C5 C1 C2 106.2(3) . .
C5 C1 Si1 125.2(2) . .
C2 C1 Si1 128.5(2) . .
C5 C1 Fe1 68.77(16) . .
C2 C1 Fe1 68.86(15) . .
Si1 C1 Fe1 123.90(14) . .
C3 C2 C1 108.7(3) . .
C3 C2 Fe1 69.83(17) . .
C1 C2 Fe1 70.21(16) . .
C3 C2 H1 125.6 . .
C1 C2 H1 125.6 . .
Fe1 C2 H1 125.9 . .
C2 C3 C4 108.4(3) . .
C2 C3 Fe1 69.83(17) . .
C4 C3 Fe1 69.62(18) . .
C2 C3 H2 125.8 . .
C4 C3 H2 125.8 . .
Fe1 C3 H2 126.3 . .
C5 C4 C3 107.6(3) . .
C5 C4 Fe1 69.61(17) . .
C3 C4 Fe1 69.78(17) . .
C5 C4 H3 126.2 . .
C3 C4 H3 126.2 . .
Fe1 C4 H3 126.0 . .
C4 C5 C1 109.0(3) . .
C4 C5 Fe1 69.74(17) . .
C1 C5 Fe1 70.41(16) . .
C4 C5 H4 125.5 . .
C1 C5 H4 125.5 . .
Fe1 C5 H4 125.9 . .
C9 Fe1 C10 40.9(2) . .
C9 Fe1 C6 67.8(2) . .
C10 Fe1 C6 40.5(2) . .
C9 Fe1 C5 128.6(2) . .
C10 Fe1 C5 167.5(3) . .
C6 Fe1 C5 150.33(19) . .
C9 Fe1 C8 39.94(18) . .
C10 Fe1 C8 67.44(19) . .
C6 Fe1 C8 66.49(16) . .
C5 Fe1 C8 108.67(15) . .
C9 Fe1 C4 107.15(19) . .
C10 Fe1 C4 129.2(2) . .
C6 Fe1 C4 168.72(18) . .
C5 Fe1 C4 40.65(12) . .
C8 Fe1 C4 116.66(15) . .
C9 Fe1 C2 149.96(19) . .
C10 Fe1 C2 117.7(2) . .
C6 Fe1 C2 110.66(15) . .
C5 Fe1 C2 68.29(12) . .
C8 Fe1 C2 169.24(14) . .
C4 Fe1 C2 68.29(13) . .
C9 Fe1 C3 116.68(16) . .
C10 Fe1 C3 108.69(16) . .
C6 Fe1 C3 131.46(16) . .
C5 Fe1 C3 68.15(12) . .
C8 Fe1 C3 149.32(15) . .
C4 Fe1 C3 40.61(13) . .
C2 Fe1 C3 40.33(12) . .
C9 Fe1 C7 66.80(16) . .
C10 Fe1 C7 66.88(17) . .
C6 Fe1 C7 39.11(16) . .
C5 Fe1 C7 118.28(13) . .
C8 Fe1 C7 39.29(14) . .
C4 Fe1 C7 149.58(14) . .
C2 Fe1 C7 132.09(13) . .
C3 Fe1 C7 169.49(14) . .
C9 Fe1 C1 167.4(2) . .
C10 Fe1 C1 150.7(3) . .
C6 Fe1 C1 118.31(18) . .
C5 Fe1 C1 40.81(12) . .
C8 Fe1 C1 130.14(15) . .
C4 Fe1 C1 68.81(12) . .
C2 Fe1 C1 40.94(11) . .
C3 Fe1 C1 68.56(12) . .
C7 Fe1 C1 110.25(12) . .
C7 C6 C10 108.1(4) . .
C7 C6 Fe1 71.1(2) . .
C10 C6 Fe1 69.1(3) . .
C7 C6 H5 126.0 . .
C10 C6 H5 126.0 . .
Fe1 C6 H5 125.5 . .
C6 C7 C8 109.0(4) . .
C6 C7 Fe1 69.8(2) . .
C8 C7 Fe1 69.8(2) . .
C6 C7 H6 125.5 . .
C8 C7 H6 125.5 . .
Fe1 C7 H6 126.5 . .
C7 C8 C9 108.4(4) . .
C7 C8 Fe1 70.92(19) . .
C9 C8 Fe1 69.0(2) . .
C7 C8 H7 125.8 . .
C9 C8 H7 125.8 . .
Fe1 C8 H7 125.9 . .
C8 C9 C10 107.7(4) . .
C8 C9 Fe1 71.1(2) . .
C10 C9 Fe1 69.9(2) . .
C8 C9 H8 126.2 . .
C10 C9 H8 126.2 . .
Fe1 C9 H8 124.5 . .
C6 C10 C9 106.9(4) . .
C6 C10 Fe1 70.5(2) . .
C9 C10 Fe1 69.3(3) . .
C6 C10 H9 126.6 . .
C9 C10 H9 126.6 . .
Fe1 C10 H9 125.3 . .
C12 C11 C16 119.0(3) . .
C12 C11 Si1 118.6(2) . .
C16 C11 Si1 121.4(2) . .
C13 C12 C11 119.4(3) . .
C13 C12 C17 118.8(3) . .
C11 C12 C17 121.7(3) . .
C14 C13 C12 121.8(3) . .
C14 C13 H10 119.1 . .
C12 C13 H10 119.1 . .
C15 C14 C13 117.8(3) . .
C15 C14 C18 121.4(3) . .
C13 C14 C18 120.7(3) . .
C14 C15 C16 122.6(3) . .
C14 C15 H11 118.7 . .
C16 C15 H11 118.7 . .
C15 C16 C11 119.2(3) . .
C15 C16 C19 118.8(2) . .
C11 C16 C19 122.0(2) . .
C12 C17 C21 112.0(2) . .
C12 C17 C20 112.2(2) . .
C21 C17 C20 111.0(2) . .
C12 C17 H12 107.1 . .
C21 C17 H12 107.1 . .
C20 C17 H12 107.1 . .
C14 C18 C22 112.4(3) . .
C14 C18 C23 110.2(3) . .
C22 C18 C23 110.9(3) . .
C14 C18 H13 107.7 . .
C22 C18 H13 107.7 . .
C23 C18 H13 107.7 . .
C25 C19 C16 111.9(2) . .
C25 C19 C24 111.2(2) . .
C16 C19 C24 111.1(2) . .
C25 C19 H14 107.5 . .
C16 C19 H14 107.5 . .
C24 C19 H14 107.5 . .
C17 C20 H15 109.5 . .
C17 C20 H16 109.5 . .
H15 C20 H16 109.5 . .
C17 C20 H17 109.5 . .
H15 C20 H17 109.5 . .
H16 C20 H17 109.5 . .
C17 C21 H18 109.5 . .
C17 C21 H19 109.5 . .
H18 C21 H19 109.5 . .
C17 C21 H20 109.5 . .
H18 C21 H20 109.5 . .
H19 C21 H20 109.5 . .
C18 C22 H21 109.5 . .
C18 C22 H22 109.5 . .
H21 C22 H22 109.5 . .
C18 C22 H23 109.5 . .
H21 C22 H23 109.5 . .
H22 C22 H23 109.5 . .
C18 C23 H24 109.5 . .
C18 C23 H25 109.5 . .
H24 C23 H25 109.5 . .
C18 C23 H26 109.5 . .
H24 C23 H26 109.5 . .
H25 C23 H26 109.5 . .
C19 C24 H27 109.5 . .
C19 C24 H28 109.5 . .
H27 C24 H28 109.5 . .
C19 C24 H29 109.5 . .
H27 C24 H29 109.5 . .
H28 C24 H29 109.5 . .
C19 C25 H30 109.5 . .
C19 C25 H31 109.5 . .
H30 C25 H31 109.5 . .
C19 C25 H32 109.5 . .
H30 C25 H32 109.5 . .
H31 C25 H32 109.5 . .
C26 O1 C26 108.3(9) 2 .
C27 C26 O1 104.0(8) . .
C27 C26 H33 111.0 . .
O1 C26 H33 111.0 . .
C27 C26 H34 111.0 . .
O1 C26 H34 111.0 . .
H33 C26 H34 109.0 . .
C26 C27 C27 108.6(5) . 2
C26 C27 H35 110.0 . .
C27 C27 H35 110.0 2 .
C26 C27 H36 110.0 . .
C27 C27 H36 110.0 2 .
H35 C27 H36 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 C1 1.848(3) .
Si1 C11 1.880(3) .
Si1 Si1 2.1733(15) 7_556
C1 C5 1.430(4) .
C1 C2 1.435(4) .
C1 Fe1 2.061(3) .
C2 C3 1.408(4) .
C2 Fe1 2.043(3) .
C2 H1 0.9500 .
C3 C4 1.417(4) .
C3 Fe1 2.043(3) .
C3 H2 0.9500 .
C4 C5 1.417(4) .
C4 Fe1 2.041(3) .
C4 H3 0.9500 .
C5 Fe1 2.039(3) .
C5 H4 0.9500 .
Fe1 C9 2.012(4) .
Fe1 C10 2.020(4) .
Fe1 C6 2.038(4) .
Fe1 C8 2.040(3) .
Fe1 C7 2.054(3) .
C6 C7 1.370(5) .
C6 C10 1.404(8) .
C6 H5 0.9500 .
C7 C8 1.377(5) .
C7 H6 0.9500 .
C8 C9 1.384(6) .
C8 H7 0.9500 .
C9 C10 1.408(8) .
C9 H8 0.9500 .
C10 H9 0.9500 .
C11 C12 1.411(4) .
C11 C16 1.412(4) .
C12 C13 1.398(4) .
C12 C17 1.518(4) .
C13 C14 1.393(4) .
C13 H10 0.9500 .
C14 C15 1.385(4) .
C14 C18 1.516(4) .
C15 C16 1.390(4) .
C15 H11 0.9500 .
C16 C19 1.526(4) .
C17 C21 1.527(4) .
C17 C20 1.531(4) .
C17 H12 1.0000 .
C18 C22 1.522(5) .
C18 C23 1.527(4) .
C18 H13 1.0000 .
C19 C25 1.522(4) .
C19 C24 1.534(4) .
C19 H14 1.0000 .
C20 H15 0.9800 .
C20 H16 0.9800 .
C20 H17 0.9800 .
C21 H18 0.9800 .
C21 H19 0.9800 .
C21 H20 0.9800 .
C22 H21 0.9800 .
C22 H22 0.9800 .
C22 H23 0.9800 .
C23 H24 0.9800 .
C23 H25 0.9800 .
C23 H26 0.9800 .
C24 H27 0.9800 .
C24 H28 0.9800 .
C24 H29 0.9800 .
C25 H30 0.9800 .
C25 H31 0.9800 .
C25 H32 0.9800 .
O1 C26 1.481(8) 2
O1 C26 1.481(8) .
C26 C27 1.399(11) .
C26 H33 0.9900 .
C26 H34 0.9900 .
C27 C27 1.425(19) 2
C27 H35 0.9900 .
C27 H36 0.9900 .
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_4
C11 Si1 C1 C5 169.9(2) . .
Si1 Si1 C1 C5 -42.1(3) 7_556 .
C11 Si1 C1 C2 -5.5(3) . .
Si1 Si1 C1 C2 142.5(2) 7_556 .
C11 Si1 C1 Fe1 83.3(2) . .
Si1 Si1 C1 Fe1 -128.70(14) 7_556 .
C5 C1 C2 C3 0.5(3) . .
Si1 C1 C2 C3 176.6(2) . .
Fe1 C1 C2 C3 59.4(2) . .
C5 C1 C2 Fe1 -58.89(19) . .
Si1 C1 C2 Fe1 117.2(2) . .
C1 C2 C3 C4 -0.5(3) . .
Fe1 C2 C3 C4 59.1(2) . .
C1 C2 C3 Fe1 -59.63(19) . .
C2 C3 C4 C5 0.3(3) . .
Fe1 C3 C4 C5 59.6(2) . .
C2 C3 C4 Fe1 -59.2(2) . .
C3 C4 C5 C1 0.0(4) . .
Fe1 C4 C5 C1 59.7(2) . .
C3 C4 C5 Fe1 -59.7(2) . .
C2 C1 C5 C4 -0.3(3) . .
Si1 C1 C5 C4 -176.5(2) . .
Fe1 C1 C5 C4 -59.2(2) . .
C2 C1 C5 Fe1 58.95(19) . .
Si1 C1 C5 Fe1 -117.3(2) . .
C4 C5 Fe1 C9 -69.5(3) . .
C1 C5 Fe1 C9 170.6(2) . .
C4 C5 Fe1 C10 -39.8(8) . .
C1 C5 Fe1 C10 -159.7(7) . .
C4 C5 Fe1 C6 175.4(3) . .
C1 C5 Fe1 C6 55.5(4) . .
C4 C5 Fe1 C8 -109.5(2) . .
C1 C5 Fe1 C8 130.53(19) . .
C1 C5 Fe1 C4 -120.0(3) . .
C4 C5 Fe1 C2 81.5(2) . .
C1 C5 Fe1 C2 -38.47(17) . .
C4 C5 Fe1 C3 37.94(19) . .
C1 C5 Fe1 C3 -82.05(19) . .
C4 C5 Fe1 C7 -151.2(2) . .
C1 C5 Fe1 C7 88.8(2) . .
C4 C5 Fe1 C1 120.0(3) . .
C5 C4 Fe1 C9 130.0(3) . .
C3 C4 Fe1 C9 -111.2(3) . .
C5 C4 Fe1 C10 169.7(3) . .
C3 C4 Fe1 C10 -71.6(3) . .
C5 C4 Fe1 C6 -168.4(8) . .
C3 C4 Fe1 C6 -49.7(9) . .
C3 C4 Fe1 C5 118.7(3) . .
C5 C4 Fe1 C8 88.0(2) . .
C3 C4 Fe1 C8 -153.3(2) . .
C5 C4 Fe1 C2 -81.5(2) . .
C3 C4 Fe1 C2 37.23(18) . .
C5 C4 Fe1 C3 -118.7(3) . .
C5 C4 Fe1 C7 56.8(3) . .
C3 C4 Fe1 C7 175.5(2) . .
C5 C4 Fe1 C1 -37.38(19) . .
C3 C4 Fe1 C1 81.36(19) . .
C3 C2 Fe1 C9 49.4(5) . .
C1 C2 Fe1 C9 169.1(4) . .
C3 C2 Fe1 C10 86.5(3) . .
C1 C2 Fe1 C10 -153.7(3) . .
C3 C2 Fe1 C6 130.5(2) . .
C1 C2 Fe1 C6 -109.8(2) . .
C3 C2 Fe1 C5 -81.38(19) . .
C1 C2 Fe1 C5 38.35(17) . .
C3 C2 Fe1 C8 -156.9(8) . .
C1 C2 Fe1 C8 -37.2(8) . .
C3 C2 Fe1 C4 -37.48(18) . .
C1 C2 Fe1 C4 82.26(18) . .
C1 C2 Fe1 C3 119.7(2) . .
C3 C2 Fe1 C7 169.50(19) . .
C1 C2 Fe1 C7 -70.8(2) . .
C3 C2 Fe1 C1 -119.7(2) . .
C2 C3 Fe1 C9 -154.8(3) . .
C4 C3 Fe1 C9 85.5(3) . .
C2 C3 Fe1 C10 -111.2(3) . .
C4 C3 Fe1 C10 129.1(3) . .
C2 C3 Fe1 C6 -71.8(3) . .
C4 C3 Fe1 C6 168.5(3) . .
C2 C3 Fe1 C5 81.74(19) . .
C4 C3 Fe1 C5 -37.97(18) . .
C2 C3 Fe1 C8 171.8(3) . .
C4 C3 Fe1 C8 52.0(4) . .
C2 C3 Fe1 C4 119.7(3) . .
C4 C3 Fe1 C2 -119.7(3) . .
C2 C3 Fe1 C7 -47.8(8) . .
C4 C3 Fe1 C7 -167.6(6) . .
C2 C3 Fe1 C1 37.68(17) . .
C4 C3 Fe1 C1 -82.04(19) . .
C5 C1 Fe1 C9 -36.1(8) . .
C2 C1 Fe1 C9 -154.3(7) . .
Si1 C1 Fe1 C9 82.8(7) . .
C5 C1 Fe1 C10 171.2(3) . .
C2 C1 Fe1 C10 53.1(4) . .
Si1 C1 Fe1 C10 -69.9(4) . .
C5 C1 Fe1 C6 -152.4(2) . .
C2 C1 Fe1 C6 89.5(2) . .
Si1 C1 Fe1 C6 -33.5(2) . .
C2 C1 Fe1 C5 -118.1(2) . .
Si1 C1 Fe1 C5 118.9(3) . .
C5 C1 Fe1 C8 -70.4(2) . .
C2 C1 Fe1 C8 171.5(2) . .
Si1 C1 Fe1 C8 48.6(3) . .
C5 C1 Fe1 C4 37.23(19) . .
C2 C1 Fe1 C4 -80.88(19) . .
Si1 C1 Fe1 C4 156.2(2) . .
C5 C1 Fe1 C2 118.1(2) . .
Si1 C1 Fe1 C2 -122.9(3) . .
C5 C1 Fe1 C3 80.97(19) . .
C2 C1 Fe1 C3 -37.14(17) . .
Si1 C1 Fe1 C3 -160.1(2) . .
C5 C1 Fe1 C7 -110.2(2) . .
C2 C1 Fe1 C7 131.68(18) . .
Si1 C1 Fe1 C7 8.7(2) . .
C9 Fe1 C6 C7 -80.1(3) . .
C10 Fe1 C6 C7 -118.9(4) . .
C5 Fe1 C6 C7 50.1(4) . .
C8 Fe1 C6 C7 -36.6(2) . .
C4 Fe1 C6 C7 -145.3(7) . .
C2 Fe1 C6 C7 132.2(2) . .
C3 Fe1 C6 C7 173.3(2) . .
C1 Fe1 C6 C7 87.8(3) . .
C9 Fe1 C6 C10 38.8(3) . .
C5 Fe1 C6 C10 168.9(3) . .
C8 Fe1 C6 C10 82.3(3) . .
C4 Fe1 C6 C10 -26.4(9) . .
C2 Fe1 C6 C10 -108.9(3) . .
C3 Fe1 C6 C10 -67.9(4) . .
C7 Fe1 C6 C10 118.9(4) . .
C1 Fe1 C6 C10 -153.4(3) . .
C10 C6 C7 C8 -0.4(4) . .
Fe1 C6 C7 C8 59.0(3) . .
C10 C6 C7 Fe1 -59.4(3) . .
C9 Fe1 C7 C6 82.8(3) . .
C10 Fe1 C7 C6 38.2(3) . .
C5 Fe1 C7 C6 -154.5(3) . .
C8 Fe1 C7 C6 120.3(4) . .
C4 Fe1 C7 C6 167.3(3) . .
C2 Fe1 C7 C6 -69.1(3) . .
C3 Fe1 C7 C6 -28.8(8) . .
C1 Fe1 C7 C6 -110.3(3) . .
C9 Fe1 C7 C8 -37.5(3) . .
C10 Fe1 C7 C8 -82.1(3) . .
C6 Fe1 C7 C8 -120.3(4) . .
C5 Fe1 C7 C8 85.2(3) . .
C4 Fe1 C7 C8 47.0(4) . .
C2 Fe1 C7 C8 170.6(2) . .
C3 Fe1 C7 C8 -149.1(7) . .
C1 Fe1 C7 C8 129.4(2) . .
C6 C7 C8 C9 0.0(4) . .
Fe1 C7 C8 C9 59.0(3) . .
C6 C7 C8 Fe1 -59.0(3) . .
C9 Fe1 C8 C7 119.4(4) . .
C10 Fe1 C8 C7 80.6(3) . .
C6 Fe1 C8 C7 36.4(3) . .
C5 Fe1 C8 C7 -112.1(2) . .
C4 Fe1 C8 C7 -155.5(2) . .
C2 Fe1 C8 C7 -40.4(9) . .
C3 Fe1 C8 C7 169.4(2) . .
C1 Fe1 C8 C7 -71.6(3) . .
C10 Fe1 C8 C9 -38.8(4) . .
C6 Fe1 C8 C9 -82.9(4) . .
C5 Fe1 C8 C9 128.5(3) . .
C4 Fe1 C8 C9 85.1(4) . .
C2 Fe1 C8 C9 -159.8(7) . .
C3 Fe1 C8 C9 50.0(5) . .
C7 Fe1 C8 C9 -119.4(4) . .
C1 Fe1 C8 C9 169.0(3) . .
C7 C8 C9 C10 0.4(5) . .
Fe1 C8 C9 C10 60.6(3) . .
C7 C8 C9 Fe1 -60.2(3) . .
C10 Fe1 C9 C8 117.8(4) . .
C6 Fe1 C9 C8 79.4(3) . .
C5 Fe1 C9 C8 -71.6(3) . .
C4 Fe1 C9 C8 -111.3(3) . .
C2 Fe1 C9 C8 172.6(3) . .
C3 Fe1 C9 C8 -154.0(3) . .
C7 Fe1 C9 C8 36.9(3) . .
C1 Fe1 C9 C8 -42.0(9) . .
C6 Fe1 C9 C10 -38.4(3) . .
C5 Fe1 C9 C10 170.6(3) . .
C8 Fe1 C9 C10 -117.8(4) . .
C4 Fe1 C9 C10 130.9(3) . .
C2 Fe1 C9 C10 54.8(5) . .
C3 Fe1 C9 C10 88.1(3) . .
C7 Fe1 C9 C10 -80.9(3) . .
C1 Fe1 C9 C10 -159.9(7) . .
C7 C6 C10 C9 0.7(5) . .
Fe1 C6 C10 C9 -60.0(3) . .
C7 C6 C10 Fe1 60.6(3) . .
C8 C9 C10 C6 -0.7(5) . .
Fe1 C9 C10 C6 60.7(3) . .
C8 C9 C10 Fe1 -61.4(3) . .
C9 Fe1 C10 C6 -117.7(4) . .
C5 Fe1 C10 C6 -153.9(6) . .
C8 Fe1 C10 C6 -79.7(3) . .
C4 Fe1 C10 C6 173.5(2) . .
C2 Fe1 C10 C6 89.9(3) . .
C3 Fe1 C10 C6 132.9(3) . .
C7 Fe1 C10 C6 -36.9(2) . .
C1 Fe1 C10 C6 53.6(4) . .
C6 Fe1 C10 C9 117.7(4) . .
C5 Fe1 C10 C9 -36.3(8) . .
C8 Fe1 C10 C9 37.9(3) . .
C4 Fe1 C10 C9 -68.8(3) . .
C2 Fe1 C10 C9 -152.5(2) . .
C3 Fe1 C10 C9 -109.5(3) . .
C7 Fe1 C10 C9 80.7(3) . .
C1 Fe1 C10 C9 171.2(3) . .
C1 Si1 C11 C12 -119.4(2) . .
Si1 Si1 C11 C12 91.7(2) 7_556 .
C1 Si1 C11 C16 72.1(3) . .
Si1 Si1 C11 C16 -76.8(2) 7_556 .
C16 C11 C12 C13 3.3(4) . .
Si1 C11 C12 C13 -165.5(2) . .
C16 C11 C12 C17 -177.5(2) . .
Si1 C11 C12 C17 13.7(3) . .
C11 C12 C13 C14 -0.3(4) . .
C17 C12 C13 C14 -179.5(3) . .
C12 C13 C14 C15 -2.2(4) . .
C12 C13 C14 C18 175.8(3) . .
C13 C14 C15 C16 1.7(4) . .
C18 C14 C15 C16 -176.3(3) . .
C14 C15 C16 C11 1.3(4) . .
C14 C15 C16 C19 -179.6(3) . .
C12 C11 C16 C15 -3.8(4) . .
Si1 C11 C16 C15 164.7(2) . .
C12 C11 C16 C19 177.1(2) . .
Si1 C11 C16 C19 -14.4(4) . .
C13 C12 C17 C21 68.9(3) . .
C11 C12 C17 C21 -110.3(3) . .
C13 C12 C17 C20 -56.7(3) . .
C11 C12 C17 C20 124.1(3) . .
C15 C14 C18 C22 -123.4(3) . .
C13 C14 C18 C22 58.6(4) . .
C15 C14 C18 C23 112.3(3) . .
C13 C14 C18 C23 -65.7(4) . .
C15 C16 C19 C25 -67.3(3) . .
C11 C16 C19 C25 111.8(3) . .
C15 C16 C19 C24 57.6(3) . .
C11 C16 C19 C24 -123.3(3) . .
C26 O1 C26 C27 -7.9(5) 2 .
O1 C26 C27 C27 21.0(14) . 2
