#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:32:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180144 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/41/7104179.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_7104179
loop_
_publ_author_name
'Arnold, Polly L'
'McMaster, Jonathan'
'Liddle, Stephen T'
_publ_section_title
;
 An unsupported transition metal--lanthanide bond; synthesis and
 crystal structure of an Nd--Fe amido N-heterocyclic carbene complex.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              818
_journal_page_last               820
_journal_paper_doi               10.1039/b819072k
_journal_volume                  34
_journal_year                    2009
_chemical_formula_moiety         'C29 H55 Fe N4 Nd O2 Si3'
_chemical_formula_sum            'C29 H55 Fe N4 Nd O2 Si3'
_chemical_formula_weight         776.13
_chemical_name_systematic
;
?
;
_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, Me from difmap'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             '2008 May'
_audit_creation_method           'enCIFer editing of SHELXL97 CIF output'
_cell_angle_alpha                94.396(2)
_cell_angle_beta                 107.987(2)
_cell_angle_gamma                100.847(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1340(9)
_cell_length_b                   11.7943(9)
_cell_length_c                   15.6599(12)
_cell_measurement_reflns_used    19327
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.32
_cell_volume                     1900.9(3)
_computing_cell_refinement       'Bruker SAINT v. 6.36a (Bruker, 2000)'
_computing_data_collection       'Bruker SMART v. 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT and SHELXTL (Bruker, 2001)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0387
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13589
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.97
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.855
_exptl_absorpt_correction_T_max  0.7812
_exptl_absorpt_correction_T_min  0.5548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             802
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.414
_refine_diff_density_min         -1.021
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+1.7660P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                6078
_reflns_number_total             6642
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b819072k.txt
_cod_data_source_block           ndtmsf_compound1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104179
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
Nd1 Nd 1.840315(19) 1.730699(18) 0.710441(14) 0.01895(8) Uani 1 1 d . . .
N1 N 1.7205(3) 1.4139(3) 0.6677(2) 0.0233(7) Uani 1 1 d . . .
N2 N 1.7059(3) 1.7738(3) 0.7793(2) 0.0246(7) Uani 1 1 d . . .
N3 N 1.5990(3) 1.5026(3) 0.7173(2) 0.0219(7) Uani 1 1 d . . .
C2 C 1.6948(4) 1.5213(3) 0.6803(3) 0.0223(9) Uani 1 1 d . . .
C4 C 1.5645(4) 1.3870(3) 0.7304(3) 0.0236(9) Uani 1 1 d . . .
C5 C 1.6417(4) 1.3324(3) 0.6975(3) 0.0260(9) Uani 1 1 d . . .
H5A H 1.6415 1.2517 0.6953 0.031 Uiso 1 1 calc R . .
C6 C 1.8101(4) 1.3826(4) 0.6205(3) 0.0301(10) Uani 1 1 d . . .
C7 C 1.8943(5) 1.3100(4) 0.6777(4) 0.0407(12) Uani 1 1 d . . .
H7A H 1.8391 1.2385 0.6847 0.061 Uiso 1 1 calc R . .
H7B H 1.9438 1.3551 0.7376 0.061 Uiso 1 1 calc R . .
H7C H 1.9541 1.2896 0.6476 0.061 Uiso 1 1 calc R . .
C8 C 1.8954(4) 1.4931(4) 0.6090(3) 0.0371(11) Uani 1 1 d . . .
H8A H 1.9477 1.5371 0.6689 0.056 Uiso 1 1 calc R . .
H8B H 1.8408 1.5412 0.5741 0.056 Uiso 1 1 calc R . .
H8C H 1.9526 1.4725 0.5767 0.056 Uiso 1 1 calc R . .
C9 C 1.7275(5) 1.3147(5) 0.5283(3) 0.0457(13) Uani 1 1 d . . .
H9A H 1.6714 1.2444 0.5362 0.069 Uiso 1 1 calc R . .
H9B H 1.7837 1.2923 0.4957 0.069 Uiso 1 1 calc R . .
H9C H 1.6740 1.3634 0.4934 0.069 Uiso 1 1 calc R . .
C10 C 1.5276(4) 1.5893(4) 0.7351(3) 0.0302(10) Uani 1 1 d . . .
H10A H 1.5309 1.5935 0.7992 0.036 Uiso 1 1 calc R . .
H10B H 1.4357 1.5624 0.6966 0.036 Uiso 1 1 calc R . .
C11 C 1.5785(4) 1.7112(4) 0.7175(3) 0.0276(9) Uani 1 1 d . . .
H11A H 1.5820 1.7053 0.6550 0.033 Uiso 1 1 calc R . .
H11B H 1.5150 1.7589 0.7201 0.033 Uiso 1 1 calc R . .
C12 C 1.7071(4) 1.8495(4) 0.8596(3) 0.0289(10) Uani 1 1 d . . .
C13 C 1.6435(5) 1.7838(4) 0.9205(3) 0.0429(12) Uani 1 1 d . . .
H13A H 1.5502 1.7574 0.8886 0.064 Uiso 1 1 calc R . .
H13B H 1.6585 1.8358 0.9765 0.064 Uiso 1 1 calc R . .
H13C H 1.6811 1.7162 0.9354 0.064 Uiso 1 1 calc R . .
C14 C 1.8498(4) 1.8998(4) 0.9137(3) 0.0448(13) Uani 1 1 d . . .
H14A H 1.8905 1.9466 0.8769 0.067 Uiso 1 1 calc R . .
H14B H 1.8936 1.8360 0.9299 0.067 Uiso 1 1 calc R . .
H14C H 1.8568 1.9491 0.9691 0.067 Uiso 1 1 calc R . .
C15 C 1.6408(5) 1.9497(4) 0.8315(3) 0.0378(11) Uani 1 1 d . . .
H15A H 1.6854 1.9962 0.7965 0.057 Uiso 1 1 calc R . .
H15B H 1.6443 1.9991 0.8858 0.057 Uiso 1 1 calc R . .
H15C H 1.5502 1.9178 0.7941 0.057 Uiso 1 1 calc R . .
Si1 Si 1.44722(11) 1.32238(11) 0.78663(8) 0.0286(3) Uani 1 1 d . . .
C16 C 1.4982(5) 1.3983(5) 0.9049(3) 0.0533(15) Uani 1 1 d . . .
H16A H 1.4854 1.4782 0.9038 0.080 Uiso 1 1 calc R . .
H16B H 1.5900 1.4003 0.9354 0.080 Uiso 1 1 calc R . .
H16C H 1.4462 1.3563 0.9377 0.080 Uiso 1 1 calc R . .
C17 C 1.4618(5) 1.1683(4) 0.7898(4) 0.0551(15) Uani 1 1 d . . .
H17A H 1.4299 1.1264 0.7278 0.083 Uiso 1 1 calc R . .
H17B H 1.4104 1.1312 0.8250 0.083 Uiso 1 1 calc R . .
H17C H 1.5529 1.1660 0.8183 0.083 Uiso 1 1 calc R . .
C18 C 1.2777(4) 1.3294(5) 0.7245(3) 0.0407(12) Uani 1 1 d . . .
H18A H 1.2720 1.4112 0.7228 0.061 Uiso 1 1 calc R . .
H18B H 1.2202 1.2920 0.7556 0.061 Uiso 1 1 calc R . .
H18C H 1.2515 1.2888 0.6625 0.061 Uiso 1 1 calc R . .
N4 N 2.0487(3) 1.7455(3) 0.8127(2) 0.0240(7) Uani 1 1 d . . .
Si2 Si 2.06914(11) 1.65857(10) 0.89645(8) 0.0279(3) Uani 1 1 d . . .
C19 C 2.1770(5) 1.5577(4) 0.8862(3) 0.0437(12) Uani 1 1 d . . .
H19A H 2.1405 1.5095 0.8264 0.066 Uiso 1 1 calc R . .
H19B H 2.1834 1.5073 0.9336 0.066 Uiso 1 1 calc R . .
H19C H 2.2634 1.6035 0.8931 0.066 Uiso 1 1 calc R . .
C20 C 2.1389(5) 1.7402(4) 1.0155(3) 0.0365(11) Uani 1 1 d . . .
H20A H 2.0898 1.7992 1.0220 0.055 Uiso 1 1 calc R . .
H20B H 2.2298 1.7784 1.0276 0.055 Uiso 1 1 calc R . .
H20C H 2.1333 1.6854 1.0589 0.055 Uiso 1 1 calc R . .
C21 C 1.9086(4) 1.5661(4) 0.8895(3) 0.0323(10) Uani 1 1 d . . .
H21A H 1.8821 1.5015 0.8395 0.048 Uiso 1 1 calc R . .
H21B H 1.8435 1.6137 0.8785 0.048 Uiso 1 1 calc R . .
H21C H 1.9163 1.5348 0.9466 0.048 Uiso 1 1 calc R . .
Si3 Si 2.17668(11) 1.83721(12) 0.79742(8) 0.0312(3) Uani 1 1 d . . .
C22 C 2.2407(5) 1.7639(6) 0.7157(4) 0.0565(16) Uani 1 1 d . . .
H22A H 2.1691 1.7287 0.6599 0.085 Uiso 1 1 calc R . .
H22B H 2.2819 1.7031 0.7432 0.085 Uiso 1 1 calc R . .
H22C H 2.3045 1.8217 0.7013 0.085 Uiso 1 1 calc R . .
C23 C 2.1196(5) 1.9649(5) 0.7484(4) 0.0505(14) Uani 1 1 d . . .
H23A H 2.0459 1.9372 0.6924 0.076 Uiso 1 1 calc R . .
H23B H 2.1901 2.0154 0.7351 0.076 Uiso 1 1 calc R . .
H23C H 2.0928 2.0091 0.7922 0.076 Uiso 1 1 calc R . .
C24 C 2.3170(4) 1.8978(4) 0.9036(3) 0.0393(11) Uani 1 1 d . . .
H24A H 2.2884 1.9420 0.9463 0.059 Uiso 1 1 calc R . .
H24B H 2.3854 1.9494 0.8888 0.059 Uiso 1 1 calc R . .
H24C H 2.3508 1.8336 0.9314 0.059 Uiso 1 1 calc R . .
Fe1 Fe 1.76797(6) 1.83228(5) 0.53709(4) 0.02875(15) Uani 1 1 d . . .
O1 O 1.9859(3) 1.7496(3) 0.5126(2) 0.0484(9) Uani 1 1 d . . .
C25 C 1.8996(4) 1.7836(4) 0.5244(3) 0.0332(10) Uani 1 1 d . . .
O2 O 1.6070(3) 1.5991(3) 0.4713(2) 0.0464(9) Uani 1 1 d . . .
C26 C 1.6705(4) 1.6929(4) 0.4991(3) 0.0338(10) Uani 1 1 d . . .
C27 C 1.7514(5) 1.9871(4) 0.4779(4) 0.0448(13) Uani 1 1 d . . .
H27A H 1.7663 2.0032 0.4198 0.054 Uiso 1 1 calc R . .
C28 C 1.6325(5) 1.9348(4) 0.4870(4) 0.0444(12) Uani 1 1 d . . .
H28A H 1.5479 1.9080 0.4366 0.053 Uiso 1 1 calc R . .
C29 C 1.6525(5) 1.9300(4) 0.5809(4) 0.0441(12) Uani 1 1 d . . .
H29A H 1.5844 1.8996 0.6079 0.053 Uiso 1 1 calc R . .
C30 C 1.7812(5) 1.9751(4) 0.6278(3) 0.0373(11) Uani 1 1 d . . .
H30A H 1.8227 1.9846 0.6951 0.045 Uiso 1 1 calc R . .
C31 C 1.8454(5) 2.0120(4) 0.5642(4) 0.0423(12) Uani 1 1 d . . .
H31A H 1.9387 2.0515 0.5793 0.051 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'
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'
Nd Nd -0.1943 3.0179 '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
_geom_angle_publ_flag
N2 Nd1 N4 112.05(12) . . ?
N2 Nd1 C2 83.34(12) . . ?
N4 Nd1 C2 112.80(12) . . ?
N2 Nd1 C11 29.17(12) . . ?
N4 Nd1 C11 137.51(12) . . ?
C2 Nd1 C11 62.95(12) . . ?
N2 Nd1 Fe1 104.73(9) . . ?
N4 Nd1 Fe1 127.51(8) . . ?
C2 Nd1 Fe1 107.37(9) . . ?
C11 Nd1 Fe1 90.53(9) . . ?
C2 N1 C5 110.2(3) . . ?
C2 N1 C6 126.4(3) . . ?
C5 N1 C6 123.2(3) . . ?
C11 N2 C12 116.3(3) . . ?
C11 N2 Nd1 103.6(2) . . ?
C12 N2 Nd1 139.8(3) . . ?
C2 N3 C4 113.0(3) . . ?
C2 N3 C10 125.3(3) . . ?
C4 N3 C10 121.5(3) . . ?
N3 C2 N1 104.0(3) . . ?
N3 C2 Nd1 118.3(3) . . ?
N1 C2 Nd1 131.7(3) . . ?
C5 C4 N3 104.0(3) . . ?
C5 C4 Si1 127.5(3) . . ?
N3 C4 Si1 128.4(3) . . ?
C4 C5 N1 108.8(4) . . ?
N1 C6 C9 107.5(3) . . ?
N1 C6 C8 109.6(3) . . ?
C9 C6 C8 109.9(4) . . ?
N1 C6 C7 108.8(4) . . ?
C9 C6 C7 111.4(4) . . ?
C8 C6 C7 109.6(4) . . ?
N3 C10 C11 114.5(3) . . ?
N2 C11 C10 116.6(4) . . ?
N2 C11 Nd1 47.23(18) . . ?
C10 C11 Nd1 109.5(2) . . ?
N2 C12 C13 113.5(3) . . ?
N2 C12 C14 105.7(3) . . ?
C13 C12 C14 108.6(4) . . ?
N2 C12 C15 111.1(4) . . ?
C13 C12 C15 108.8(4) . . ?
C14 C12 C15 109.0(4) . . ?
C17 Si1 C18 110.6(3) . . ?
C17 Si1 C16 109.0(3) . . ?
C18 Si1 C16 110.0(2) . . ?
C17 Si1 C4 104.9(2) . . ?
C18 Si1 C4 112.9(2) . . ?
C16 Si1 C4 109.3(2) . . ?
Si3 N4 Si2 122.1(2) . . ?
Si3 N4 Nd1 118.79(17) . . ?
Si2 N4 Nd1 119.01(17) . . ?
N4 Si2 C19 111.9(2) . . ?
N4 Si2 C21 110.04(18) . . ?
C19 Si2 C21 107.5(2) . . ?
N4 Si2 C20 114.66(19) . . ?
C19 Si2 C20 106.9(2) . . ?
C21 Si2 C20 105.4(2) . . ?
N4 Si3 C23 108.5(2) . . ?
N4 Si3 C24 114.92(19) . . ?
C23 Si3 C24 106.6(2) . . ?
N4 Si3 C22 111.6(2) . . ?
C23 Si3 C22 107.7(3) . . ?
C24 Si3 C22 107.3(2) . . ?
C25 Fe1 C26 90.8(2) . . ?
C25 Fe1 C30 124.4(2) . . ?
C26 Fe1 C30 136.9(2) . . ?
C25 Fe1 C31 99.8(2) . . ?
C26 Fe1 C31 166.2(2) . . ?
C30 Fe1 C31 40.60(19) . . ?
C25 Fe1 C29 162.7(2) . . ?
C26 Fe1 C29 104.8(2) . . ?
C30 Fe1 C29 38.31(19) . . ?
C31 Fe1 C29 66.0(2) . . ?
C25 Fe1 C28 145.2(2) . . ?
C26 Fe1 C28 100.8(2) . . ?
C30 Fe1 C28 65.5(2) . . ?
C31 Fe1 C28 65.5(2) . . ?
C29 Fe1 C28 39.5(2) . . ?
C25 Fe1 C27 110.1(2) . . ?
C26 Fe1 C27 128.9(2) . . ?
C30 Fe1 C27 66.07(19) . . ?
C31 Fe1 C27 38.79(19) . . ?
C29 Fe1 C27 65.7(2) . . ?
C28 Fe1 C27 38.80(19) . . ?
C25 Fe1 Nd1 82.59(15) . . ?
C26 Fe1 Nd1 80.80(15) . . ?
C30 Fe1 Nd1 80.36(13) . . ?
C31 Fe1 Nd1 109.14(14) . . ?
C29 Fe1 Nd1 92.61(14) . . ?
C28 Fe1 Nd1 131.41(15) . . ?
C27 Fe1 Nd1 145.69(15) . . ?
O1 C25 Fe1 177.5(4) . . ?
O2 C26 Fe1 177.6(4) . . ?
C31 C27 C28 108.2(5) . . ?
C31 C27 Fe1 69.3(3) . . ?
C28 C27 Fe1 70.1(3) . . ?
C27 C28 C29 108.1(5) . . ?
C27 C28 Fe1 71.1(3) . . ?
C29 C28 Fe1 70.1(3) . . ?
C30 C29 C28 108.0(5) . . ?
C30 C29 Fe1 69.4(3) . . ?
C28 C29 Fe1 70.4(3) . . ?
C29 C30 C31 108.6(4) . . ?
C29 C30 Fe1 72.3(3) . . ?
C31 C30 Fe1 70.4(3) . . ?
C27 C31 C30 107.1(5) . . ?
C27 C31 Fe1 71.9(3) . . ?
C30 C31 Fe1 69.0(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Nd1 N2 2.204(3) . ?
Nd1 N4 2.342(3) . ?
Nd1 C2 2.606(4) . ?
Nd1 C11 2.918(4) . ?
Nd1 Fe1 2.9942(7) . ?
N1 C2 1.363(5) . ?
N1 C5 1.384(5) . ?
N1 C6 1.493(5) . ?
N2 C11 1.463(5) . ?
N2 C12 1.481(5) . ?
N3 C2 1.354(5) . ?
N3 C4 1.394(5) . ?
N3 C10 1.467(5) . ?
C4 C5 1.359(6) . ?
C4 Si1 1.871(4) . ?
C6 C9 1.516(6) . ?
C6 C8 1.520(6) . ?
C6 C7 1.522(6) . ?
C10 C11 1.521(6) . ?
C12 C13 1.527(6) . ?
C12 C14 1.527(6) . ?
C12 C15 1.531(6) . ?
Si1 C17 1.858(5) . ?
Si1 C18 1.858(5) . ?
Si1 C16 1.860(5) . ?
N4 Si3 1.711(3) . ?
N4 Si2 1.713(4) . ?
Si2 C19 1.874(5) . ?
Si2 C21 1.877(5) . ?
Si2 C20 1.886(4) . ?
Si3 C23 1.871(5) . ?
Si3 C24 1.874(5) . ?
Si3 C22 1.876(5) . ?
Fe1 C25 1.731(5) . ?
Fe1 C26 1.736(5) . ?
Fe1 C30 2.071(5) . ?
Fe1 C31 2.089(5) . ?
Fe1 C29 2.106(5) . ?
Fe1 C28 2.111(5) . ?
Fe1 C27 2.123(5) . ?
O1 C25 1.167(5) . ?
O2 C26 1.164(5) . ?
C27 C31 1.399(7) . ?
C27 C28 1.406(7) . ?
C28 C29 1.425(7) . ?
C29 C30 1.371(7) . ?
C30 C31 1.443(7) . ?
