#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/71/2217134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2217134
loop_
_publ_author_name
'Wang, Xiao-li'
'Bao, Huaying '
_publ_section_title
2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'-diyl)diacetonitrile
_journal_coeditor_code           IM2048
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m123
_journal_page_last               m123
_journal_paper_doi               10.1107/S1600536807064513
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Fe (C17 H20 N O2 Si)2]'
_chemical_formula_moiety         'C34 H40 Fe N2 O4 Si2'
_chemical_formula_sum            'C34 H40 Fe N2 O4 Si2'
_chemical_formula_weight         652.71
_chemical_name_systematic
;
2,2'-Bis(4-methoxyphenyl)-2,2'-bis(trimethylsilanyloxy)-2,2'-(ferrocene-1,1'-
diyl)diacetonitrile
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                95.613(5)
_cell_angle_beta                 97.253(6)
_cell_angle_gamma                97.441(6)
_cell_formula_units_Z            1
_cell_length_a                   7.129(2)
_cell_length_b                   10.500(4)
_cell_length_c                   11.449(4)
_cell_measurement_reflns_used    749
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.51
_cell_volume                     837.3(5)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and 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  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0699
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4803
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.821606
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.295
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             344
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.982
_refine_diff_density_min         -0.429
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3367
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0634
_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)+(0.1110P)²+0.2987P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1717
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                2156
_reflns_number_total             3367
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            im2048.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2217134
_cod_database_fobs_code          2217134
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Fe Fe2 1.0000 0.0000 0.0000 0.0414(3) Uani d S 1
Si Si1 1.0979(2) 0.43619(14) 0.25558(15) 0.0644(5) Uani d D 1
N N1 0.6209(8) 0.2641(6) 0.0446(5) 0.0789(15) Uani d . 1
O O1 1.0478(5) 0.2772(3) 0.2175(3) 0.0539(9) Uani d . 1
O O2 0.6132(6) 0.1608(4) 0.6498(3) 0.0687(11) Uani d . 1
C C1 0.9125(6) 0.0596(4) 0.1571(4) 0.0410(10) Uani d . 1
C C2 1.0873(7) 0.0084(5) 0.1784(4) 0.0480(11) Uani d . 1
H H2 1.2020 0.0520 0.2196 0.058 Uiso calc R 1
C C3 1.0536(9) -0.1225(5) 0.1245(4) 0.0597(14) Uani d . 1
H H3 1.1433 -0.1794 0.1250 0.072 Uiso calc R 1
C C4 0.8633(10) -0.1509(5) 0.0708(4) 0.0635(16) Uani d . 1
H H4 0.8054 -0.2297 0.0294 0.076 Uiso calc R 1
C C5 0.7750(8) -0.0411(5) 0.0897(4) 0.0532(13) Uani d . 1
H H5 0.6483 -0.0343 0.0630 0.064 Uiso calc R 1
C C6 0.8760(6) 0.1923(4) 0.2043(4) 0.0423(10) Uani d . 1
C C7 0.7336(8) 0.2337(5) 0.1153(4) 0.0544(13) Uani d . 1
C C8 0.7960(6) 0.1835(4) 0.3217(4) 0.0416(10) Uani d . 1
C C9 0.9140(7) 0.1609(5) 0.4202(4) 0.0521(12) Uani d . 1
H H9 1.0403 0.1511 0.4138 0.063 Uiso calc R 1
C C10 0.8494(7) 0.1524(5) 0.5273(4) 0.0538(12) Uani d . 1
H H10 0.9319 0.1371 0.5924 0.065 Uiso calc R 1
C C11 0.6624(7) 0.1664(5) 0.5393(4) 0.0492(12) Uani d . 1
C C12 0.5414(7) 0.1855(5) 0.4407(4) 0.0543(12) Uani d . 1
H H12 0.4139 0.1919 0.4462 0.065 Uiso calc R 1
C C13 0.6097(7) 0.1950(5) 0.3340(4) 0.0503(12) Uani d . 1
H H13 0.5272 0.2096 0.2686 0.060 Uiso calc R 1
C C14 0.4225(9) 0.1780(7) 0.6651(5) 0.0824(19) Uani d . 1
H H14A 0.4054 0.1719 0.7463 0.124 Uiso calc R 1
H H14B 0.3345 0.1121 0.6148 0.124 Uiso calc R 1
H H14C 0.3989 0.2615 0.6446 0.124 Uiso calc R 1
C C15 1.2315(13) 0.4614(8) 0.4056(7) 0.122(3) Uani d DU 1
H H15A 1.3430 0.4189 0.4066 0.183 Uiso calc R 1
H H15B 1.1520 0.4262 0.4598 0.183 Uiso calc R 1
H H15C 1.2695 0.5523 0.4291 0.183 Uiso calc R 1
C C16 0.8845(10) 0.5181(7) 0.2564(7) 0.098(2) Uani d DU 1
H H16A 0.8091 0.4851 0.3136 0.146 Uiso calc R 1
H H16B 0.8101 0.5025 0.1792 0.146 Uiso calc R 1
H H16C 0.9232 0.6094 0.2770 0.146 Uiso calc R 1
C C17 1.2491(13) 0.4952(9) 0.1477(8) 0.133(3) Uani d DU 1
H H17A 1.3593 0.4512 0.1500 0.200 Uiso calc R 1
H H17B 1.2894 0.5865 0.1671 0.200 Uiso calc R 1
H H17C 1.1776 0.4788 0.0695 0.200 Uiso calc R 1
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C5 Fe2 C5 . 2_755 180.0(3)
C5 Fe2 C4 . . 40.0(2)
C5 Fe2 C4 2_755 . 140.0(2)
C5 Fe2 C4 . 2_755 140.0(2)
C5 Fe2 C4 2_755 2_755 40.0(2)
C4 Fe2 C4 . 2_755 180.0(3)
C5 Fe2 C1 . . 41.15(17)
C5 Fe2 C1 2_755 . 138.85(17)
C4 Fe2 C1 . . 68.36(18)
C4 Fe2 C1 2_755 . 111.64(18)
C5 Fe2 C1 . 2_755 138.85(17)
C5 Fe2 C1 2_755 2_755 41.15(17)
C4 Fe2 C1 . 2_755 111.64(18)
C4 Fe2 C1 2_755 2_755 68.36(18)
C1 Fe2 C1 . 2_755 180.00(11)
C5 Fe2 C3 . . 67.6(2)
C5 Fe2 C3 2_755 . 112.4(2)
C4 Fe2 C3 . . 40.0(2)
C4 Fe2 C3 2_755 . 140.0(2)
C1 Fe2 C3 . . 68.23(19)
C1 Fe2 C3 2_755 . 111.77(19)
C5 Fe2 C3 . 2_755 112.4(2)
C5 Fe2 C3 2_755 2_755 67.6(2)
C4 Fe2 C3 . 2_755 140.0(2)
C4 Fe2 C3 2_755 2_755 40.0(2)
C1 Fe2 C3 . 2_755 111.77(19)
C1 Fe2 C3 2_755 2_755 68.23(19)
C3 Fe2 C3 . 2_755 180.0(4)
C5 Fe2 C2 . . 68.5(2)
C5 Fe2 C2 2_755 . 111.5(2)
C4 Fe2 C2 . . 68.3(2)
C4 Fe2 C2 2_755 . 111.7(2)
C1 Fe2 C2 . . 40.67(18)
C1 Fe2 C2 2_755 . 139.33(18)
C3 Fe2 C2 . . 40.83(19)
C3 Fe2 C2 2_755 . 139.17(19)
C5 Fe2 C2 . 2_755 111.5(2)
C5 Fe2 C2 2_755 2_755 68.5(2)
C4 Fe2 C2 . 2_755 111.7(2)
C4 Fe2 C2 2_755 2_755 68.3(2)
C1 Fe2 C2 . 2_755 139.33(18)
C1 Fe2 C2 2_755 2_755 40.67(18)
C3 Fe2 C2 . 2_755 139.17(19)
C3 Fe2 C2 2_755 2_755 40.83(19)
C2 Fe2 C2 . 2_755 180.00(7)
O1 Si1 C15 . . 107.0(3)
O1 Si1 C17 . . 105.0(3)
C15 Si1 C17 . . 110.9(4)
O1 Si1 C16 . . 113.7(3)
C15 Si1 C16 . . 108.6(4)
C17 Si1 C16 . . 111.7(4)
C6 O1 Si1 . . 131.6(3)
C11 O2 C14 . . 117.4(4)
C2 C1 C5 . . 107.2(4)
C2 C1 C6 . . 126.1(4)
C5 C1 C6 . . 126.6(4)
C2 C1 Fe2 . . 69.8(2)
C5 C1 Fe2 . . 69.0(2)
C6 C1 Fe2 . . 129.5(3)
C1 C2 C3 . . 107.2(4)
C1 C2 Fe2 . . 69.5(2)
C3 C2 Fe2 . . 69.5(3)
C1 C2 H2 . . 126.4
C3 C2 H2 . . 126.4
Fe2 C2 H2 . . 126.2
C4 C3 C2 . . 108.6(5)
C4 C3 Fe2 . . 69.9(3)
C2 C3 Fe2 . . 69.7(3)
C4 C3 H3 . . 125.7
C2 C3 H3 . . 125.7
Fe2 C3 H3 . . 126.3
C5 C4 C3 . . 108.5(4)
C5 C4 Fe2 . . 69.7(3)
C3 C4 Fe2 . . 70.1(3)
C5 C4 H4 . . 125.8
C3 C4 H4 . . 125.8
Fe2 C4 H4 . . 126.0
C4 C5 C1 . . 108.5(5)
C4 C5 Fe2 . . 70.3(3)
C1 C5 Fe2 . . 69.8(2)
C4 C5 H5 . . 125.8
C1 C5 H5 . . 125.8
Fe2 C5 H5 . . 125.7
O1 C6 C7 . . 109.7(4)
O1 C6 C1 . . 108.4(4)
C7 C6 C1 . . 107.3(4)
O1 C6 C8 . . 112.2(3)
C7 C6 C8 . . 110.0(4)
C1 C6 C8 . . 108.9(4)
N1 C7 C6 . . 178.9(6)
C13 C8 C9 . . 117.6(4)
C13 C8 C6 . . 123.2(4)
C9 C8 C6 . . 119.2(4)
C10 C9 C8 . . 121.5(4)
C10 C9 H9 . . 119.3
C8 C9 H9 . . 119.3
C9 C10 C11 . . 120.5(5)
C9 C10 H10 . . 119.8
C11 C10 H10 . . 119.8
O2 C11 C12 . . 125.1(5)
O2 C11 C10 . . 116.2(5)
C12 C11 C10 . . 118.7(4)
C13 C12 C11 . . 120.0(4)
C13 C12 H12 . . 120.0
C11 C12 H12 . . 120.0
C8 C13 C12 . . 121.8(5)
C8 C13 H13 . . 119.1
C12 C13 H13 . . 119.1
O2 C14 H14A . . 109.5
O2 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
O2 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
Si1 C15 H15A . . 109.5
Si1 C15 H15B . . 109.5
H15A C15 H15B . . 109.5
Si1 C15 H15C . . 109.5
H15A C15 H15C . . 109.5
H15B C15 H15C . . 109.5
Si1 C16 H16A . . 109.5
Si1 C16 H16B . . 109.5
H16A C16 H16B . . 109.5
Si1 C16 H16C . . 109.5
H16A C16 H16C . . 109.5
H16B C16 H16C . . 109.5
Si1 C17 H17A . . 109.5
Si1 C17 H17B . . 109.5
H17A C17 H17B . . 109.5
Si1 C17 H17C . . 109.5
H17A C17 H17C . . 109.5
H17B C17 H17C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Fe2 C5 . 2.034(5)
Fe2 C5 2_755 2.034(5)
Fe2 C4 . 2.042(5)
Fe2 C4 2_755 2.042(5)
Fe2 C1 . 2.044(4)
Fe2 C1 2_755 2.044(4)
Fe2 C3 . 2.045(5)
Fe2 C3 2_755 2.045(5)
Fe2 C2 . 2.048(4)
Fe2 C2 2_755 2.048(4)
Si1 O1 . 1.663(3)
Si1 C15 . 1.833(7)
Si1 C17 . 1.841(8)
Si1 C16 . 1.842(7)
N1 C7 . 1.164(7)
O1 C6 . 1.401(5)
O2 C11 . 1.360(5)
O2 C14 . 1.425(7)
C1 C2 . 1.422(7)
C1 C5 . 1.433(6)
C1 C6 . 1.511(6)
C2 C3 . 1.428(7)
C2 H2 . 0.9300
C3 C4 . 1.399(8)
C3 H3 . 0.9300
C4 C5 . 1.395(8)
C4 H4 . 0.9300
C5 H5 . 0.9300
C6 C7 . 1.483(7)
C6 C8 . 1.531(6)
C8 C13 . 1.373(6)
C8 C9 . 1.379(6)
C9 C10 . 1.370(6)
C9 H9 . 0.9300
C10 C11 . 1.382(7)
C10 H10 . 0.9300
C11 C12 . 1.378(7)
C12 C13 . 1.378(6)
C12 H12 . 0.9300
C13 H13 . 0.9300
C14 H14A . 0.9600
C14 H14B . 0.9600
C14 H14C . 0.9600
C15 H15A . 0.9600
C15 H15B . 0.9600
C15 H15C . 0.9600
C16 H16A . 0.9600
C16 H16B . 0.9600
C16 H16C . 0.9600
C17 H17A . 0.9600
C17 H17B . 0.9600
C17 H17C . 0.9600
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_site_symmetry_1
_geom_torsion
C15 Si1 O1 C6 . 108.2(5)
C17 Si1 O1 C6 . -134.0(5)
C16 Si1 O1 C6 . -11.6(5)
C5 Fe2 C1 C2 . 118.6(4)
C5 Fe2 C1 C2 2_755 -61.4(4)
C4 Fe2 C1 C2 . 81.5(3)
C4 Fe2 C1 C2 2_755 -98.5(3)
C1 Fe2 C1 C2 2_755 -5E1(10)
C3 Fe2 C1 C2 . 38.2(3)
C3 Fe2 C1 C2 2_755 -141.8(3)
C2 Fe2 C1 C2 2_755 180.0
C5 Fe2 C1 C5 2_755 180.0
C4 Fe2 C1 C5 . -37.1(3)
C4 Fe2 C1 C5 2_755 142.9(3)
C1 Fe2 C1 C5 2_755 -17E1(10)
C3 Fe2 C1 C5 . -80.3(3)
C3 Fe2 C1 C5 2_755 99.7(3)
C2 Fe2 C1 C5 . -118.6(4)
C2 Fe2 C1 C5 2_755 61.4(4)
C5 Fe2 C1 C6 . -120.8(5)
C5 Fe2 C1 C6 2_755 59.2(5)
C4 Fe2 C1 C6 . -157.9(5)
C4 Fe2 C1 C6 2_755 22.1(5)
C1 Fe2 C1 C6 2_755 7E1(10)
C3 Fe2 C1 C6 . 158.9(5)
C3 Fe2 C1 C6 2_755 -21.1(5)
C2 Fe2 C1 C6 . 120.7(5)
C2 Fe2 C1 C6 2_755 -59.3(5)
C5 C1 C2 C3 . -0.4(5)
C6 C1 C2 C3 . 175.8(4)
Fe2 C1 C2 C3 . -59.5(3)
C5 C1 C2 Fe2 . 59.1(3)
C6 C1 C2 Fe2 . -124.7(4)
C5 Fe2 C2 C1 . -38.4(3)
C5 Fe2 C2 C1 2_755 141.6(3)
C4 Fe2 C2 C1 . -81.6(3)
C4 Fe2 C2 C1 2_755 98.4(3)
C1 Fe2 C2 C1 2_755 180.0
C3 Fe2 C2 C1 . -118.5(4)
C3 Fe2 C2 C1 2_755 61.5(4)
C2 Fe2 C2 C1 2_755 2E1(10)
C5 Fe2 C2 C3 . 80.1(3)
C5 Fe2 C2 C3 2_755 -99.9(3)
C4 Fe2 C2 C3 . 36.9(3)
C4 Fe2 C2 C3 2_755 -143.1(3)
C1 Fe2 C2 C3 . 118.5(4)
C1 Fe2 C2 C3 2_755 -61.5(4)
C3 Fe2 C2 C3 2_755 180.0
C2 Fe2 C2 C3 2_755 14E1(10)
C1 C2 C3 C4 . 0.4(5)
Fe2 C2 C3 C4 . -59.2(3)
C1 C2 C3 Fe2 . 59.6(3)
C5 Fe2 C3 C4 . 37.2(3)
C5 Fe2 C3 C4 2_755 -142.8(3)
C4 Fe2 C3 C4 2_755 180.0
C1 Fe2 C3 C4 . 81.8(3)
C1 Fe2 C3 C4 2_755 -98.2(3)
C3 Fe2 C3 C4 2_755 13E1(10)
C2 Fe2 C3 C4 . 119.9(4)
C2 Fe2 C3 C4 2_755 -60.1(4)
C5 Fe2 C3 C2 . -82.7(3)
C5 Fe2 C3 C2 2_755 97.3(3)
C4 Fe2 C3 C2 . -119.9(4)
C4 Fe2 C3 C2 2_755 60.1(4)
C1 Fe2 C3 C2 . -38.1(3)
C1 Fe2 C3 C2 2_755 141.9(3)
C3 Fe2 C3 C2 2_755 1E1(10)
C2 Fe2 C3 C2 2_755 180.0
C2 C3 C4 C5 . -0.2(5)
Fe2 C3 C4 C5 . -59.3(3)
C2 C3 C4 Fe2 . 59.1(3)
C5 Fe2 C4 C5 2_755 180.0
C4 Fe2 C4 C5 2_755 2E1(10)
C1 Fe2 C4 C5 . 38.1(3)
C1 Fe2 C4 C5 2_755 -141.9(3)
C3 Fe2 C4 C5 . 119.6(4)
C3 Fe2 C4 C5 2_755 -60.4(4)
C2 Fe2 C4 C5 . 82.0(3)
C2 Fe2 C4 C5 2_755 -98.0(3)
C5 Fe2 C4 C3 . -119.6(4)
C5 Fe2 C4 C3 2_755 60.4(4)
C4 Fe2 C4 C3 2_755 -10E1(10)
C1 Fe2 C4 C3 . -81.5(3)
C1 Fe2 C4 C3 2_755 98.5(3)
C3 Fe2 C4 C3 2_755 180.0
C2 Fe2 C4 C3 . -37.6(3)
C2 Fe2 C4 C3 2_755 142.4(3)
C3 C4 C5 C1 . 0.0(5)
Fe2 C4 C5 C1 . -59.6(3)
C3 C4 C5 Fe2 . 59.6(3)
C2 C1 C5 C4 . 0.3(5)
C6 C1 C5 C4 . -175.9(4)
Fe2 C1 C5 C4 . 59.9(3)
C2 C1 C5 Fe2 . -59.6(3)
C6 C1 C5 Fe2 . 124.3(4)
C5 Fe2 C5 C4 2_755 -17E1(10)
C4 Fe2 C5 C4 2_755 180.0
C1 Fe2 C5 C4 . -119.4(4)
C1 Fe2 C5 C4 2_755 60.6(4)
C3 Fe2 C5 C4 . -37.2(3)
C3 Fe2 C5 C4 2_755 142.8(3)
C2 Fe2 C5 C4 . -81.4(3)
C2 Fe2 C5 C4 2_755 98.6(3)
C5 Fe2 C5 C1 2_755 -5E1(10)
C4 Fe2 C5 C1 . 119.4(4)
C4 Fe2 C5 C1 2_755 -60.6(4)
C1 Fe2 C5 C1 2_755 180.0
C3 Fe2 C5 C1 . 82.1(3)
C3 Fe2 C5 C1 2_755 -97.9(3)
C2 Fe2 C5 C1 . 38.0(3)
C2 Fe2 C5 C1 2_755 -142.0(3)
Si1 O1 C6 C7 . 58.0(5)
Si1 O1 C6 C1 . 174.9(3)
Si1 O1 C6 C8 . -64.7(5)
C2 C1 C6 O1 . 30.2(6)
C5 C1 C6 O1 . -154.4(4)
Fe2 C1 C6 O1 . -62.5(5)
C2 C1 C6 C7 . 148.7(4)
C5 C1 C6 C7 . -35.9(6)
Fe2 C1 C6 C7 . 56.0(5)
C2 C1 C6 C8 . -92.2(5)
C5 C1 C6 C8 . 83.2(5)
Fe2 C1 C6 C8 . 175.1(3)
O1 C6 C7 N1 . 14E1(3)
C1 C6 C7 N1 . 2E1(3)
C8 C6 C7 N1 . -10E1(3)
O1 C6 C8 C13 . 131.0(5)
C7 C6 C8 C13 . 8.5(6)
C1 C6 C8 C13 . -109.0(5)
O1 C6 C8 C9 . -50.2(6)
C7 C6 C8 C9 . -172.7(4)
C1 C6 C8 C9 . 69.9(5)
C13 C8 C9 C10 . -1.2(7)
C6 C8 C9 C10 . 179.9(4)
C8 C9 C10 C11 . 0.1(8)
C14 O2 C11 C12 . -1.0(8)
C14 O2 C11 C10 . 178.6(5)
C9 C10 C11 O2 . -177.9(5)
C9 C10 C11 C12 . 1.8(7)
O2 C11 C12 C13 . 177.2(5)
C10 C11 C12 C13 . -2.4(8)
C9 C8 C13 C12 . 0.5(7)
C6 C8 C13 C12 . 179.4(4)
C11 C12 C13 C8 . 1.3(8)
