#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:30:57 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178716 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/27/4082790.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_4082790
loop_
_publ_author_name
'Cartes, M. Ángeles'
'Rodr\?íguez-Delgado, Antonio'
'Palma, Pilar'
'Álvarez, Eleuterio'
'Cámpora, Juan'
_publ_section_title
;
 Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine
 Dialkyliron(II) with Trimethylaluminum
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1834
_journal_paper_doi               10.1021/om500167r
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C37 H54 Fe N3 Si, C7 H8'
_chemical_formula_sum            'C44 H62 Fe N3 Si'
_chemical_formula_weight         716.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 105.7660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.654(2)
_cell_length_b                   14.3535(10)
_cell_length_c                   9.2139(6)
_cell_measurement_reflns_used    2871
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      23.45
_cell_measurement_theta_min      2.30
_cell_volume                     4156.1(5)
_computing_cell_refinement       'APEX2 Software Suite (Bruker, 2007)'
_computing_data_collection       'APEX2 Software Suite (Bruker, 2007)'
_computing_data_reduction        'APEX2 Software Suite (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla et al., 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type
;
 Bruker-Nonius X8kappa APEX II CCD area detector
;
_diffrn_measurement_method       'phi and omega scans with narrow frames'
_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  0.0599
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            20143
_diffrn_reflns_theta_full        26.44
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.424
_exptl_absorpt_correction_T_max  0.9588
_exptl_absorpt_correction_T_min  0.9276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
program SADABS, Bruker (2001).
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.846
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         4365
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0503
_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)+(0.0701P)²+5.3238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                3047
_reflns_number_total             4365
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500167r_si_002.cif
_cod_data_source_block           2b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4082790.cif.
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4082790
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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 0.101218(17) 0.5000 0.93936(6) 0.02587(18) Uani 1 2 d S . .
Si1 Si 0.15661(3) 0.5000 0.67320(12) 0.0313(3) Uani 1 2 d S . .
N1 N 0.06477(9) 0.5000 1.0812(3) 0.0227(7) Uani 1 2 d S . .
N2 N 0.10236(6) 0.64428(16) 1.0177(2) 0.0239(5) Uani 1 1 d . . .
C1 C 0.05329(8) 0.58206(19) 1.1339(3) 0.0239(6) Uani 1 1 d . . .
C2 C 0.02560(8) 0.5831(2) 1.2251(3) 0.0282(6) Uani 1 1 d . . .
H2 H 0.0167 0.6408 1.2573 0.034 Uiso 1 1 calc R . .
C3 C 0.01098(12) 0.5000 1.2688(4) 0.0309(9) Uani 1 2 d S . .
H3 H -0.0088 0.5000 1.3278 0.037 Uiso 1 2 calc SR . .
C4 C 0.07419(8) 0.66240(19) 1.0924(3) 0.0254(6) Uani 1 1 d . . .
C5 C 0.06528(10) 0.7578(2) 1.1432(4) 0.0388(7) Uani 1 1 d . . .
H5A H 0.0829 0.8037 1.1093 0.058 Uiso 1 1 calc R . .
H5B H 0.0720 0.7591 1.2536 0.058 Uiso 1 1 calc R . .
H5C H 0.0351 0.7728 1.1001 0.058 Uiso 1 1 calc R . .
C6 C 0.12694(8) 0.71917(19) 0.9807(3) 0.0268(6) Uani 1 1 d . . .
C7 C 0.16768(9) 0.7354(2) 1.0780(3) 0.0324(7) Uani 1 1 d . . .
C8 C 0.19234(10) 0.8054(2) 1.0399(4) 0.0425(8) Uani 1 1 d . . .
H8 H 0.2200 0.8169 1.1040 0.051 Uiso 1 1 calc R . .
C9 C 0.17773(10) 0.8587(2) 0.9118(4) 0.0441(8) Uani 1 1 d . . .
H9 H 0.1949 0.9068 0.8888 0.053 Uiso 1 1 calc R . .
C10 C 0.13773(10) 0.8412(2) 0.8172(4) 0.0414(8) Uani 1 1 d . . .
H10 H 0.1277 0.8777 0.7286 0.050 Uiso 1 1 calc R . .
C11 C 0.11188(9) 0.7716(2) 0.8483(3) 0.0304(6) Uani 1 1 d . . .
C12 C 0.18393(9) 0.6810(3) 1.2226(3) 0.0428(8) Uani 1 1 d . . .
H12 H 0.1634 0.6295 1.2231 0.051 Uiso 1 1 calc R . .
C13 C 0.22724(13) 0.6380(4) 1.2361(5) 0.0776(14) Uani 1 1 d . . .
H13A H 0.2255 0.5967 1.1499 0.116 Uiso 1 1 calc R . .
H13B H 0.2361 0.6021 1.3298 0.116 Uiso 1 1 calc R . .
H13C H 0.2480 0.6874 1.2371 0.116 Uiso 1 1 calc R . .
C14 C 0.18648(16) 0.7422(4) 1.3589(4) 0.0844(15) Uani 1 1 d . . .
H14A H 0.1588 0.7720 1.3490 0.127 Uiso 1 1 calc R . .
H14B H 0.2082 0.7903 1.3652 0.127 Uiso 1 1 calc R . .
H14C H 0.1940 0.7041 1.4505 0.127 Uiso 1 1 calc R . .
C15 C 0.06795(9) 0.7569(2) 0.7399(3) 0.0356(7) Uani 1 1 d . . .
H15 H 0.0553 0.6995 0.7715 0.043 Uiso 1 1 calc R . .
C16 C 0.03844(10) 0.8389(3) 0.7452(4) 0.0488(9) Uani 1 1 d . . .
H16A H 0.0502 0.8960 0.7138 0.073 Uiso 1 1 calc R . .
H16B H 0.0360 0.8465 0.8483 0.073 Uiso 1 1 calc R . .
H16C H 0.0102 0.8268 0.6769 0.073 Uiso 1 1 calc R . .
C17 C 0.07031(11) 0.7432(3) 0.5773(4) 0.0480(9) Uani 1 1 d . . .
H17A H 0.0908 0.6937 0.5747 0.072 Uiso 1 1 calc R . .
H17B H 0.0795 0.8014 0.5401 0.072 Uiso 1 1 calc R . .
H17C H 0.0422 0.7257 0.5133 0.072 Uiso 1 1 calc R . .
C18 C 0.10589(12) 0.5000 0.7246(4) 0.0316(9) Uani 1 2 d S . .
H18A H 0.0899 0.4448 0.6751 0.038 Uiso 0.50 1 calc PR . .
H18B H 0.0899 0.5552 0.6751 0.038 Uiso 0.50 1 calc PR . .
C19 C 0.14677(15) 0.5000 0.4634(5) 0.0435(11) Uani 1 2 d S . .
H19A H 0.1740 0.5000 0.4381 0.065 Uiso 1 2 calc SR . .
H19B H 0.1306 0.5557 0.4211 0.065 Uiso 0.50 1 calc PR . .
H19C H 0.1306 0.4443 0.4211 0.065 Uiso 0.50 1 calc PR . .
C20 C 0.18986(11) 0.3957(3) 0.7474(4) 0.0570(10) Uani 1 1 d . . .
H20A H 0.1735 0.3390 0.7114 0.086 Uiso 1 1 calc R . .
H20B H 0.1979 0.3967 0.8579 0.086 Uiso 1 1 calc R . .
H20C H 0.2155 0.3965 0.7119 0.086 Uiso 1 1 calc R . .
C21 C 0.1349(2) 0.0000 0.3683(10) 0.078(2) Uani 1 2 d S . .
C22 C 0.0951(3) 0.0000 0.3982(9) 0.0787(19) Uani 1 2 d S . .
H22 H 0.0932 0.0000 0.4993 0.094 Uiso 1 2 calc SR . .
C23 C 0.0582(2) 0.0000 0.2779(11) 0.083(2) Uani 1 2 d S . .
H23 H 0.0310 0.0000 0.2967 0.099 Uiso 1 2 calc SR . .
C24 C 0.0615(3) 0.0000 0.1331(12) 0.097(3) Uani 1 2 d S . .
H24 H 0.0365 0.0000 0.0510 0.116 Uiso 1 2 calc SR . .
C25 C 0.1006(4) 0.0000 0.1064(10) 0.102(3) Uani 1 2 d S . .
H25 H 0.1028 0.0000 0.0057 0.122 Uiso 1 2 calc SR . .
C26 C 0.1361(3) 0.0000 0.2224(10) 0.083(2) Uani 1 2 d S . .
H26 H 0.1630 0.0000 0.2013 0.099 Uiso 1 2 calc SR . .
C27 C 0.1758(3) 0.0000 0.4885(11) 0.124(3) Uani 1 2 d S . .
H27A H 0.1807 -0.0619 0.5347 0.186 Uiso 0.50 1 d PR A 1
H27B H 0.1744 0.0462 0.5654 0.186 Uiso 0.50 1 d PR A 1
H27C H 0.1991 0.0158 0.4448 0.186 Uiso 0.50 1 d PR A 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'
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
N1 Fe1 C18 149.06(14) . .
N1 Fe1 N2 75.14(6) . .
C18 Fe1 N2 108.84(6) . .
N1 Fe1 N2 75.14(6) . 6_565
C18 Fe1 N2 108.84(6) . 6_565
N2 Fe1 N2 142.02(11) . 6_565
C18 Si1 C20 112.32(13) . .
C18 Si1 C20 112.32(13) . 6_565
C20 Si1 C20 106.7(3) . 6_565
C18 Si1 C19 110.6(2) . .
C20 Si1 C19 107.32(15) . .
C20 Si1 C19 107.32(15) 6_565 .
C1 N1 C1 119.3(3) 6_565 .
C1 N1 Fe1 120.28(16) 6_565 .
C1 N1 Fe1 120.29(16) . .
C4 N2 C6 119.4(2) . .
C4 N2 Fe1 114.05(18) . .
C6 N2 Fe1 126.13(16) . .
N1 C1 C2 120.7(3) . .
N1 C1 C4 113.6(2) . .
C2 C1 C4 125.6(3) . .
C3 C2 C1 119.9(3) . .
C3 C2 H2 120.1 . .
C1 C2 H2 120.1 . .
C2 C3 C2 118.9(4) . 6_565
C2 C3 H3 120.5 . .
C2 C3 H3 120.5 6_565 .
N2 C4 C1 115.4(2) . .
N2 C4 C5 124.5(3) . .
C1 C4 C5 120.0(2) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C11 C6 C7 120.8(3) . .
C11 C6 N2 121.4(2) . .
C7 C6 N2 117.7(2) . .
C8 C7 C6 118.1(3) . .
C8 C7 C12 120.5(3) . .
C6 C7 C12 121.5(3) . .
C9 C8 C7 121.8(3) . .
C9 C8 H8 119.1 . .
C7 C8 H8 119.1 . .
C8 C9 C10 119.2(3) . .
C8 C9 H9 120.4 . .
C10 C9 H9 120.4 . .
C9 C10 C11 121.6(3) . .
C9 C10 H10 119.2 . .
C11 C10 H10 119.2 . .
C10 C11 C6 118.5(3) . .
C10 C11 C15 118.8(3) . .
C6 C11 C15 122.7(3) . .
C7 C12 C14 111.0(3) . .
C7 C12 C13 112.3(3) . .
C14 C12 C13 109.1(3) . .
C7 C12 H12 108.1 . .
C14 C12 H12 108.1 . .
C13 C12 H12 108.1 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C11 C15 C16 111.2(3) . .
C11 C15 C17 111.7(3) . .
C16 C15 C17 109.2(3) . .
C11 C15 H15 108.2 . .
C16 C15 H15 108.2 . .
C17 C15 H15 108.2 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C15 C17 H17A 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C15 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si1 C18 Fe1 124.3(2) . .
Si1 C18 H18A 106.3 . .
Fe1 C18 H18A 106.3 . .
Si1 C18 H18B 106.3 . .
Fe1 C18 H18B 106.3 . .
H18A C18 H18B 106.4 . .
Si1 C19 H19A 109.5 . .
Si1 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si1 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si1 C20 H20A 109.5 . .
Si1 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si1 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C21 C22 118.3(7) . .
C26 C21 C27 118.5(8) . .
C22 C21 C27 123.2(8) . .
C21 C22 C23 119.4(7) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
C24 C23 C22 119.6(7) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C25 C24 C23 120.1(8) . .
C25 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
C26 C25 C24 120.1(9) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C21 122.6(8) . .
C25 C26 H26 118.7 . .
C21 C26 H26 118.7 . .
C21 C27 H27A 109.4 . .
C21 C27 H27B 109.4 . .
H27A C27 H27B 109.5 . .
C21 C27 H27C 109.6 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N1 1.992(3) .
Fe1 C18 2.025(4) .
Fe1 N2 2.190(2) .
Fe1 N2 2.190(2) 6_565
Si1 C18 1.842(4) .
Si1 C20 1.867(4) .
Si1 C20 1.867(4) 6_565
Si1 C19 1.872(4) .
N1 C1 1.365(3) 6_565
N1 C1 1.365(3) .
N2 C4 1.316(3) .
N2 C6 1.437(3) .
C1 C2 1.391(4) .
C1 C4 1.443(4) .
C2 C3 1.385(3) .
C2 H2 0.9500 .
C3 C2 1.385(3) 6_565
C3 H3 0.9500 .
C4 C5 1.501(4) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C11 1.404(4) .
C6 C7 1.407(4) .
C7 C8 1.392(4) .
C7 C12 1.510(4) .
C8 C9 1.378(5) .
C8 H8 0.9500 .
C9 C10 1.382(4) .
C9 H9 0.9500 .
C10 C11 1.387(4) .
C10 H10 0.9500 .
C11 C15 1.524(4) .
C12 C14 1.516(5) .
C12 C13 1.517(5) .
C12 H12 1.0000 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.530(4) .
C15 C17 1.533(4) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C26 1.355(10) .
C21 C22 1.398(10) .
C21 C27 1.485(9) .
C22 C23 1.399(10) .
C22 H22 0.9500 .
C23 C24 1.367(11) .
C23 H23 0.9500 .
C24 C25 1.367(12) .
C24 H24 0.9500 .
C25 C26 1.345(11) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
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
C18 Fe1 N1 C1 92.1(2) . 6_565
N2 Fe1 N1 C1 -166.0(3) . 6_565
N2 Fe1 N1 C1 -9.9(2) 6_565 6_565
C18 Fe1 N1 C1 -92.1(2) . .
N2 Fe1 N1 C1 9.9(2) . .
N2 Fe1 N1 C1 166.0(3) 6_565 .
N1 Fe1 N2 C4 -11.28(19) . .
C18 Fe1 N2 C4 136.6(2) . .
N2 Fe1 N2 C4 -50.8(3) 6_565 .
N1 Fe1 N2 C6 176.0(2) . .
C18 Fe1 N2 C6 -36.1(2) . .
N2 Fe1 N2 C6 136.45(18) 6_565 .
C1 N1 C1 C2 -8.3(5) 6_565 .
Fe1 N1 C1 C2 175.77(19) . .
C1 N1 C1 C4 168.6(2) 6_565 .
Fe1 N1 C1 C4 -7.3(3) . .
N1 C1 C2 C3 3.0(4) . .
C4 C1 C2 C3 -173.5(3) . .
C1 C2 C3 C2 2.4(5) . 6_565
C6 N2 C4 C1 -175.7(2) . .
Fe1 N2 C4 C1 11.1(3) . .
C6 N2 C4 C5 0.1(4) . .
Fe1 N2 C4 C5 -173.1(2) . .
N1 C1 C4 N2 -3.3(3) . .
C2 C1 C4 N2 173.4(2) . .
N1 C1 C4 C5 -179.4(3) . .
C2 C1 C4 C5 -2.6(4) . .
C4 N2 C6 C11 -87.1(3) . .
Fe1 N2 C6 C11 85.3(3) . .
C4 N2 C6 C7 96.0(3) . .
Fe1 N2 C6 C7 -91.7(3) . .
C11 C6 C7 C8 0.6(4) . .
N2 C6 C7 C8 177.6(3) . .
C11 C6 C7 C12 178.6(3) . .
N2 C6 C7 C12 -4.5(4) . .
C6 C7 C8 C9 0.5(5) . .
C12 C7 C8 C9 -177.4(3) . .
C7 C8 C9 C10 -1.0(5) . .
C8 C9 C10 C11 0.3(5) . .
C9 C10 C11 C6 0.9(5) . .
C9 C10 C11 C15 179.3(3) . .
C7 C6 C11 C10 -1.3(4) . .
N2 C6 C11 C10 -178.2(3) . .
C7 C6 C11 C15 -179.7(3) . .
N2 C6 C11 C15 3.4(4) . .
C8 C7 C12 C14 68.3(4) . .
C6 C7 C12 C14 -109.6(4) . .
C8 C7 C12 C13 -54.1(4) . .
C6 C7 C12 C13 128.0(4) . .
C10 C11 C15 C16 -68.7(4) . .
C6 C11 C15 C16 109.7(3) . .
C10 C11 C15 C17 53.6(4) . .
C6 C11 C15 C17 -128.0(3) . .
C20 Si1 C18 Fe1 60.13(15) . .
C20 Si1 C18 Fe1 -60.13(15) 6_565 .
C19 Si1 C18 Fe1 180.0 . .
N1 Fe1 C18 Si1 180.0 . .
N2 Fe1 C18 Si1 87.58(7) . .
N2 Fe1 C18 Si1 -87.58(7) 6_565 .
C26 C21 C22 C23 0.000(1) . .
C27 C21 C22 C23 180.000(1) . .
C21 C22 C23 C24 0.0 . .
C22 C23 C24 C25 0.0 . .
C23 C24 C25 C26 0.0 . .
C24 C25 C26 C21 0.0 . .
C22 C21 C26 C25 0.0 . .
C27 C21 C26 C25 180.0 . .
