# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_RuSiSiH
_database_code_depnum_ccdc_archive 'CCDC 1530379'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'cis-hydrogen-bridged bis(silylene)ruthenium complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C21 H40 O Ru Si2'
_chemical_formula_sum            'C21 H40 O Ru Si2'
_chemical_formula_weight         465.78

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'
Ru Ru -1.2594 0.8363 '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'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3493(2)
_cell_length_b                   9.67910(10)
_cell_length_c                   16.9592(2)
_cell_angle_alpha                98.5709(10)
_cell_angle_beta                 92.1420(9)
_cell_angle_gamma                114.1722(15)
_cell_volume                     1229.02(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6105
_cell_measurement_theta_min      2.44
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             492
_exptl_absorpt_coefficient_mu    0.742
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8026
_exptl_absorpt_correction_T_max  0.9033
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'roatating-anode X-ray tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11939
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.22
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5607
_reflns_number_gt                4943
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROCESS-AUTO
_computing_data_reduction        'teXsan Ver.1.11'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Yadokari-XG2009(Wakita, Nemoto et al.,2009)'
_computing_publication_material  'Yadokari-XG2009(Wakita, Nemoto et al.,2009)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0277P)²+2.3052P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5607
_refine_ls_number_parameters     243
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.0908
_refine_ls_wR_factor_gt          0.0872
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Ru1 Ru 0.21417(3) 0.45564(3) 0.250822(15) 0.01647(8) Uani 1 1 d . . .
Si1 Si 0.39711(11) 0.64090(10) 0.18266(5) 0.01949(18) Uani 1 1 d . . .
Si2 Si 0.33705(12) 0.70629(10) 0.32308(5) 0.02125(19) Uani 1 1 d . . .
O1 O -0.1192(3) 0.4581(3) 0.18213(16) 0.0361(6) Uani 1 1 d . . .
C1 C 0.0165(4) 0.4687(4) 0.20867(19) 0.0224(6) Uani 1 1 d . . .
C2 C 0.3730(4) 0.3412(4) 0.3029(2) 0.0233(7) Uani 1 1 d . . .
C3 C 0.2219(5) 0.3169(4) 0.3463(2) 0.0261(7) Uani 1 1 d . . .
C4 C 0.0680(4) 0.2281(4) 0.2909(2) 0.0279(7) Uani 1 1 d . . .
C5 C 0.1224(4) 0.1980(4) 0.2136(2) 0.0253(7) Uani 1 1 d . . .
C6 C 0.3107(4) 0.2662(4) 0.2212(2) 0.0236(7) Uani 1 1 d . . .
C7 C 0.5613(5) 0.4049(4) 0.3398(2) 0.0317(8) Uani 1 1 d . . .
H2 H 0.5840 0.3229 0.3584 0.048 Uiso 1 1 calc R . .
H3 H 0.5817 0.4876 0.3853 0.048 Uiso 1 1 calc R . .
H4 H 0.6409 0.4458 0.2996 0.048 Uiso 1 1 calc R . .
C8 C 0.2257(6) 0.3602(5) 0.4354(2) 0.0389(9) Uani 1 1 d . . .
H5 H 0.1206 0.3773 0.4471 0.058 Uiso 1 1 calc R . .
H6 H 0.3319 0.4547 0.4557 0.058 Uiso 1 1 calc R . .
H7 H 0.2272 0.2769 0.4614 0.058 Uiso 1 1 calc R . .
C9 C -0.1210(5) 0.1650(5) 0.3111(3) 0.0403(10) Uani 1 1 d . . .
H8 H -0.1548 0.0615 0.3233 0.060 Uiso 1 1 calc R . .
H9 H -0.1993 0.1601 0.2652 0.060 Uiso 1 1 calc R . .
H10 H -0.1313 0.2326 0.3579 0.060 Uiso 1 1 calc R . .
C10 C 0.0040(5) 0.0991(5) 0.1392(3) 0.0397(9) Uani 1 1 d . . .
H11 H 0.0578 0.1366 0.0918 0.059 Uiso 1 1 calc R . .
H12 H -0.1109 0.1039 0.1403 0.059 Uiso 1 1 calc R . .
H13 H -0.0123 -0.0076 0.1370 0.059 Uiso 1 1 calc R . .
C11 C 0.4239(5) 0.2459(4) 0.1577(2) 0.0337(8) Uani 1 1 d . . .
H14 H 0.4446 0.1544 0.1614 0.051 Uiso 1 1 calc R . .
H15 H 0.5372 0.3368 0.1656 0.051 Uiso 1 1 calc R . .
H16 H 0.3637 0.2333 0.1046 0.051 Uiso 1 1 calc R . .
C12 C 0.6355(4) 0.6737(4) 0.1809(2) 0.0288(7) Uani 1 1 d . . .
H17 H 0.6482 0.6126 0.1320 0.043 Uiso 1 1 calc R . .
H18 H 0.6733 0.6425 0.2280 0.043 Uiso 1 1 calc R . .
H19 H 0.7088 0.7831 0.1817 0.043 Uiso 1 1 calc R . .
C13 C 0.3321(5) 0.7049(4) 0.0897(2) 0.0266(7) Uani 1 1 d . . .
C14 C 0.2662(6) 0.5619(5) 0.0231(2) 0.0468(11) Uani 1 1 d . . .
H20 H 0.2432 0.5899 -0.0279 0.070 Uiso 1 1 calc R . .
H21 H 0.1571 0.4830 0.0363 0.070 Uiso 1 1 calc R . .
H22 H 0.3563 0.5216 0.0185 0.070 Uiso 1 1 calc R . .
C15 C 0.4920(5) 0.8352(5) 0.0654(2) 0.0409(10) Uani 1 1 d . . .
H23 H 0.5839 0.7992 0.0535 0.061 Uiso 1 1 calc R . .
H24 H 0.5385 0.9236 0.1096 0.061 Uiso 1 1 calc R . .
H25 H 0.4557 0.8658 0.0178 0.061 Uiso 1 1 calc R . .
C16 C 0.1859(5) 0.7611(5) 0.1013(3) 0.0394(9) Uani 1 1 d . . .
H26 H 0.2272 0.8509 0.1446 0.059 Uiso 1 1 calc R . .
H27 H 0.0808 0.6787 0.1151 0.059 Uiso 1 1 calc R . .
H28 H 0.1565 0.7897 0.0515 0.059 Uiso 1 1 calc R . .
C17 C 0.5478(5) 0.7739(4) 0.3923(2) 0.0309(8) Uani 1 1 d . . .
H29 H 0.6007 0.8865 0.4064 0.046 Uiso 1 1 calc R . .
H30 H 0.6309 0.7404 0.3652 0.046 Uiso 1 1 calc R . .
H31 H 0.5211 0.7298 0.4412 0.046 Uiso 1 1 calc R . .
C18 C 0.2206(5) 0.8312(4) 0.3642(2) 0.0289(7) Uani 1 1 d . . .
C19 C 0.3388(6) 1.0028(5) 0.3688(3) 0.0461(10) Uani 1 1 d . . .
H32 H 0.3532 1.0257 0.3145 0.069 Uiso 1 1 calc R . .
H33 H 0.4546 1.0282 0.3970 0.069 Uiso 1 1 calc R . .
H34 H 0.2839 1.0643 0.3980 0.069 Uiso 1 1 calc R . .
C20 C 0.0448(6) 0.7917(6) 0.3172(3) 0.0515(12) Uani 1 1 d . . .
H35 H -0.0087 0.8579 0.3424 0.077 Uiso 1 1 calc R . .
H36 H -0.0340 0.6836 0.3168 0.077 Uiso 1 1 calc R . .
H37 H 0.0634 0.8079 0.2620 0.077 Uiso 1 1 calc R . .
C21 C 0.1909(7) 0.8022(6) 0.4508(3) 0.0526(12) Uani 1 1 d . . .
H38 H 0.1339 0.8652 0.4763 0.079 Uiso 1 1 calc R . .
H39 H 0.3048 0.8299 0.4815 0.079 Uiso 1 1 calc R . .
H40 H 0.1150 0.6931 0.4495 0.079 Uiso 1 1 calc R . .
H1 H 0.433(4) 0.808(4) 0.2500(19) 0.014(8) Uiso 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ru1 C1 1.833(3) . ?
Ru1 C4 2.261(3) . ?
Ru1 C5 2.266(3) . ?
Ru1 C3 2.267(3) . ?
Ru1 C2 2.274(3) . ?
Ru1 C6 2.286(3) . ?
Ru1 Si1 2.3219(9) . ?
Ru1 Si2 2.3284(9) . ?
Si1 C12 1.885(3) . ?
Si1 C13 1.915(3) . ?
Si1 Si2 2.4946(12) . ?
Si1 H1 1.74(3) . ?
Si2 C17 1.891(3) . ?
Si2 C18 1.912(3) . ?
Si2 H1 1.71(3) . ?
O1 C1 1.162(4) . ?
C2 C6 1.433(5) . ?
C2 C3 1.437(5) . ?
C2 C7 1.504(5) . ?
C3 C4 1.426(5) . ?
C3 C8 1.502(5) . ?
C4 C5 1.432(5) . ?
C4 C9 1.515(5) . ?
C5 C6 1.425(4) . ?
C5 C10 1.502(5) . ?
C6 C11 1.503(5) . ?
C7 H2 0.9800 . ?
C7 H3 0.9800 . ?
C7 H4 0.9800 . ?
C8 H5 0.9800 . ?
C8 H6 0.9800 . ?
C8 H7 0.9800 . ?
C9 H8 0.9800 . ?
C9 H9 0.9800 . ?
C9 H10 0.9800 . ?
C10 H11 0.9800 . ?
C10 H12 0.9800 . ?
C10 H13 0.9800 . ?
C11 H14 0.9800 . ?
C11 H15 0.9800 . ?
C11 H16 0.9800 . ?
C12 H17 0.9800 . ?
C12 H18 0.9800 . ?
C12 H19 0.9800 . ?
C13 C16 1.535(5) . ?
C13 C14 1.535(5) . ?
C13 C15 1.536(5) . ?
C14 H20 0.9800 . ?
C14 H21 0.9800 . ?
C14 H22 0.9800 . ?
C15 H23 0.9800 . ?
C15 H24 0.9800 . ?
C15 H25 0.9800 . ?
C16 H26 0.9800 . ?
C16 H27 0.9800 . ?
C16 H28 0.9800 . ?
C17 H29 0.9800 . ?
C17 H30 0.9800 . ?
C17 H31 0.9800 . ?
C18 C20 1.515(5) . ?
C18 C19 1.533(5) . ?
C18 C21 1.547(6) . ?
C19 H32 0.9800 . ?
C19 H33 0.9800 . ?
C19 H34 0.9800 . ?
C20 H35 0.9800 . ?
C20 H36 0.9800 . ?
C20 H37 0.9800 . ?
C21 H38 0.9800 . ?
C21 H39 0.9800 . ?
C21 H40 0.9800 . ?

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
C1 Ru1 C4 95.74(13) . . ?
C1 Ru1 C5 97.73(13) . . ?
C4 Ru1 C5 36.89(12) . . ?
C1 Ru1 C3 125.54(13) . . ?
C4 Ru1 C3 36.73(13) . . ?
C5 Ru1 C3 61.59(13) . . ?
C1 Ru1 C2 156.44(13) . . ?
C4 Ru1 C2 61.23(12) . . ?
C5 Ru1 C2 61.28(12) . . ?
C3 Ru1 C2 36.90(12) . . ?
C1 Ru1 C6 129.72(13) . . ?
C4 Ru1 C6 61.05(12) . . ?
C5 Ru1 C6 36.49(11) . . ?
C3 Ru1 C6 61.33(12) . . ?
C2 Ru1 C6 36.63(12) . . ?
C1 Ru1 Si1 92.06(10) . . ?
C4 Ru1 Si1 161.53(9) . . ?
C5 Ru1 Si1 125.39(9) . . ?
C3 Ru1 Si1 141.90(9) . . ?
C2 Ru1 Si1 108.59(9) . . ?
C6 Ru1 Si1 101.29(8) . . ?
C1 Ru1 Si2 94.54(10) . . ?
C4 Ru1 Si2 130.78(10) . . ?
C5 Ru1 Si2 163.48(9) . . ?
C3 Ru1 Si2 102.17(10) . . ?
C2 Ru1 Si2 104.30(9) . . ?
C6 Ru1 Si2 135.05(9) . . ?
Si1 Ru1 Si2 64.88(3) . . ?
C12 Si1 C13 107.34(16) . . ?
C12 Si1 Ru1 119.20(12) . . ?
C13 Si1 Ru1 127.55(11) . . ?
C12 Si1 Si2 109.99(12) . . ?
C13 Si1 Si2 127.01(12) . . ?
Ru1 Si1 Si2 57.69(3) . . ?
C12 Si1 H1 97.2(11) . . ?
C13 Si1 H1 96.4(11) . . ?
Ru1 Si1 H1 100.3(11) . . ?
Si2 Si1 H1 43.3(11) . . ?
C17 Si2 C18 105.98(16) . . ?
C17 Si2 Ru1 119.06(12) . . ?
C18 Si2 Ru1 128.86(12) . . ?
C17 Si2 Si1 108.90(13) . . ?
C18 Si2 Si1 129.23(12) . . ?
Ru1 Si2 Si1 57.43(3) . . ?
C17 Si2 H1 95.8(11) . . ?
C18 Si2 H1 97.2(11) . . ?
Ru1 Si2 H1 100.9(11) . . ?
Si1 Si2 H1 44.2(11) . . ?
O1 C1 Ru1 171.7(3) . . ?
C6 C2 C3 108.0(3) . . ?
C6 C2 C7 125.3(3) . . ?
C3 C2 C7 125.6(3) . . ?
C6 C2 Ru1 72.14(18) . . ?
C3 C2 Ru1 71.26(18) . . ?
C7 C2 Ru1 131.6(2) . . ?
C4 C3 C2 107.5(3) . . ?
C4 C3 C8 126.1(3) . . ?
C2 C3 C8 126.0(3) . . ?
C4 C3 Ru1 71.41(19) . . ?
C2 C3 Ru1 71.84(18) . . ?
C8 C3 Ru1 127.8(2) . . ?
C3 C4 C5 108.5(3) . . ?
C3 C4 C9 126.1(3) . . ?
C5 C4 C9 125.2(3) . . ?
C3 C4 Ru1 71.87(19) . . ?
C5 C4 Ru1 71.75(19) . . ?
C9 C4 Ru1 125.8(2) . . ?
C6 C5 C4 107.8(3) . . ?
C6 C5 C10 125.6(3) . . ?
C4 C5 C10 126.3(3) . . ?
C6 C5 Ru1 72.54(18) . . ?
C4 C5 Ru1 71.36(19) . . ?
C10 C5 Ru1 126.2(3) . . ?
C5 C6 C2 108.1(3) . . ?
C5 C6 C11 125.9(3) . . ?
C2 C6 C11 125.6(3) . . ?
C5 C6 Ru1 70.97(18) . . ?
C2 C6 Ru1 71.23(18) . . ?
C11 C6 Ru1 129.4(2) . . ?
C2 C7 H2 109.5 . . ?
C2 C7 H3 109.5 . . ?
H2 C7 H3 109.5 . . ?
C2 C7 H4 109.5 . . ?
H2 C7 H4 109.5 . . ?
H3 C7 H4 109.5 . . ?
C3 C8 H5 109.5 . . ?
C3 C8 H6 109.5 . . ?
H5 C8 H6 109.5 . . ?
C3 C8 H7 109.5 . . ?
H5 C8 H7 109.5 . . ?
H6 C8 H7 109.5 . . ?
C4 C9 H8 109.5 . . ?
C4 C9 H9 109.5 . . ?
H8 C9 H9 109.5 . . ?
C4 C9 H10 109.5 . . ?
H8 C9 H10 109.5 . . ?
H9 C9 H10 109.5 . . ?
C5 C10 H11 109.5 . . ?
C5 C10 H12 109.5 . . ?
H11 C10 H12 109.5 . . ?
C5 C10 H13 109.5 . . ?
H11 C10 H13 109.5 . . ?
H12 C10 H13 109.5 . . ?
C6 C11 H14 109.5 . . ?
C6 C11 H15 109.5 . . ?
H14 C11 H15 109.5 . . ?
C6 C11 H16 109.5 . . ?
H14 C11 H16 109.5 . . ?
H15 C11 H16 109.5 . . ?
Si1 C12 H17 109.5 . . ?
Si1 C12 H18 109.5 . . ?
H17 C12 H18 109.5 . . ?
Si1 C12 H19 109.5 . . ?
H17 C12 H19 109.5 . . ?
H18 C12 H19 109.5 . . ?
C16 C13 C14 109.5(3) . . ?
C16 C13 C15 107.9(3) . . ?
C14 C13 C15 109.8(3) . . ?
C16 C13 Si1 113.3(2) . . ?
C14 C13 Si1 105.3(2) . . ?
C15 C13 Si1 110.9(2) . . ?
C13 C14 H20 109.5 . . ?
C13 C14 H21 109.5 . . ?
H20 C14 H21 109.5 . . ?
C13 C14 H22 109.5 . . ?
H20 C14 H22 109.5 . . ?
H21 C14 H22 109.5 . . ?
C13 C15 H23 109.5 . . ?
C13 C15 H24 109.5 . . ?
H23 C15 H24 109.5 . . ?
C13 C15 H25 109.5 . . ?
H23 C15 H25 109.5 . . ?
H24 C15 H25 109.5 . . ?
C13 C16 H26 109.5 . . ?
C13 C16 H27 109.5 . . ?
H26 C16 H27 109.5 . . ?
C13 C16 H28 109.5 . . ?
H26 C16 H28 109.5 . . ?
H27 C16 H28 109.5 . . ?
Si2 C17 H29 109.5 . . ?
Si2 C17 H30 109.5 . . ?
H29 C17 H30 109.5 . . ?
Si2 C17 H31 109.5 . . ?
H29 C17 H31 109.5 . . ?
H30 C17 H31 109.5 . . ?
C20 C18 C19 109.1(3) . . ?
C20 C18 C21 109.5(4) . . ?
C19 C18 C21 107.8(3) . . ?
C20 C18 Si2 113.9(3) . . ?
C19 C18 Si2 111.4(3) . . ?
C21 C18 Si2 104.9(3) . . ?
C18 C19 H32 109.5 . . ?
C18 C19 H33 109.5 . . ?
H32 C19 H33 109.5 . . ?
C18 C19 H34 109.5 . . ?
H32 C19 H34 109.5 . . ?
H33 C19 H34 109.5 . . ?
C18 C20 H35 109.5 . . ?
C18 C20 H36 109.5 . . ?
H35 C20 H36 109.5 . . ?
C18 C20 H37 109.5 . . ?
H35 C20 H37 109.5 . . ?
H36 C20 H37 109.5 . . ?
C18 C21 H38 109.5 . . ?
C18 C21 H39 109.5 . . ?
H38 C21 H39 109.5 . . ?
C18 C21 H40 109.5 . . ?
H38 C21 H40 109.5 . . ?
H39 C21 H40 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ru1 Si1 C12 -169.64(17) . . . . ?
C4 Ru1 Si1 C12 -54.6(3) . . . . ?
C5 Ru1 Si1 C12 -68.66(18) . . . . ?
C3 Ru1 Si1 C12 19.1(2) . . . . ?
C2 Ru1 Si1 C12 -1.17(17) . . . . ?
C6 Ru1 Si1 C12 -38.40(17) . . . . ?
Si2 Ru1 Si1 C12 96.31(14) . . . . ?
C1 Ru1 Si1 C13 -20.30(18) . . . . ?
C4 Ru1 Si1 C13 94.8(3) . . . . ?
C5 Ru1 Si1 C13 80.69(18) . . . . ?
C3 Ru1 Si1 C13 168.4(2) . . . . ?
C2 Ru1 Si1 C13 148.18(17) . . . . ?
C6 Ru1 Si1 C13 110.95(17) . . . . ?
Si2 Ru1 Si1 C13 -114.34(15) . . . . ?
C1 Ru1 Si1 Si2 94.05(10) . . . . ?
C4 Ru1 Si1 Si2 -150.9(3) . . . . ?
C5 Ru1 Si1 Si2 -164.97(11) . . . . ?
C3 Ru1 Si1 Si2 -77.26(15) . . . . ?
C2 Ru1 Si1 Si2 -97.48(10) . . . . ?
C6 Ru1 Si1 Si2 -134.71(9) . . . . ?
C1 Ru1 Si2 C17 174.98(17) . . . . ?
C4 Ru1 Si2 C17 73.39(19) . . . . ?
C5 Ru1 Si2 C17 37.1(3) . . . . ?
C3 Ru1 Si2 C17 47.12(17) . . . . ?
C2 Ru1 Si2 C17 9.24(17) . . . . ?
C6 Ru1 Si2 C17 -14.29(19) . . . . ?
Si1 Ru1 Si2 C17 -94.87(15) . . . . ?
C1 Ru1 Si2 C18 26.54(18) . . . . ?
C4 Ru1 Si2 C18 -75.05(19) . . . . ?
C5 Ru1 Si2 C18 -111.3(3) . . . . ?
C3 Ru1 Si2 C18 -101.32(17) . . . . ?
C2 Ru1 Si2 C18 -139.20(17) . . . . ?
C6 Ru1 Si2 C18 -162.72(18) . . . . ?
Si1 Ru1 Si2 C18 116.69(15) . . . . ?
C1 Ru1 Si2 Si1 -90.15(10) . . . . ?
C4 Ru1 Si2 Si1 168.26(12) . . . . ?
C5 Ru1 Si2 Si1 132.0(3) . . . . ?
C3 Ru1 Si2 Si1 142.00(9) . . . . ?
C2 Ru1 Si2 Si1 104.11(9) . . . . ?
C6 Ru1 Si2 Si1 80.59(12) . . . . ?
C12 Si1 Si2 C17 0.39(18) . . . . ?
C13 Si1 Si2 C17 -131.79(18) . . . . ?
Ru1 Si1 Si2 C17 112.98(13) . . . . ?
C12 Si1 Si2 C18 131.3(2) . . . . ?
C13 Si1 Si2 C18 -0.8(2) . . . . ?
Ru1 Si1 Si2 C18 -116.08(16) . . . . ?
C12 Si1 Si2 Ru1 -112.59(13) . . . . ?
C13 Si1 Si2 Ru1 115.23(14) . . . . ?
C4 Ru1 C1 O1 -17(2) . . . . ?
C5 Ru1 C1 O1 20(2) . . . . ?
C3 Ru1 C1 O1 -40(2) . . . . ?
C2 Ru1 C1 O1 -5(2) . . . . ?
C6 Ru1 C1 O1 40(2) . . . . ?
Si1 Ru1 C1 O1 146(2) . . . . ?
Si2 Ru1 C1 O1 -149(2) . . . . ?
C1 Ru1 C2 C6 66.1(4) . . . . ?
C4 Ru1 C2 C6 79.2(2) . . . . ?
C5 Ru1 C2 C6 36.92(19) . . . . ?
C3 Ru1 C2 C6 116.9(3) . . . . ?
Si1 Ru1 C2 C6 -83.91(18) . . . . ?
Si2 Ru1 C2 C6 -151.79(17) . . . . ?
C1 Ru1 C2 C3 -50.8(4) . . . . ?
C4 Ru1 C2 C3 -37.7(2) . . . . ?
C5 Ru1 C2 C3 -80.0(2) . . . . ?
C6 Ru1 C2 C3 -116.9(3) . . . . ?
Si1 Ru1 C2 C3 159.20(18) . . . . ?
Si2 Ru1 C2 C3 91.3(2) . . . . ?
C1 Ru1 C2 C7 -172.2(3) . . . . ?
C4 Ru1 C2 C7 -159.1(4) . . . . ?
C5 Ru1 C2 C7 158.6(4) . . . . ?
C3 Ru1 C2 C7 -121.4(4) . . . . ?
C6 Ru1 C2 C7 121.7(4) . . . . ?
Si1 Ru1 C2 C7 37.8(3) . . . . ?
Si2 Ru1 C2 C7 -30.1(3) . . . . ?
C6 C2 C3 C4 -0.3(4) . . . . ?
C7 C2 C3 C4 -168.8(3) . . . . ?
Ru1 C2 C3 C4 62.9(2) . . . . ?
C6 C2 C3 C8 172.8(3) . . . . ?
C7 C2 C3 C8 4.3(5) . . . . ?
Ru1 C2 C3 C8 -124.0(4) . . . . ?
C6 C2 C3 Ru1 -63.2(2) . . . . ?
C7 C2 C3 Ru1 128.3(3) . . . . ?
C1 Ru1 C3 C4 41.2(3) . . . . ?
C5 Ru1 C3 C4 -37.30(19) . . . . ?
C2 Ru1 C3 C4 -116.4(3) . . . . ?
C6 Ru1 C3 C4 -79.1(2) . . . . ?
Si1 Ru1 C3 C4 -149.46(16) . . . . ?
Si2 Ru1 C3 C4 145.92(18) . . . . ?
C1 Ru1 C3 C2 157.6(2) . . . . ?
C4 Ru1 C3 C2 116.4(3) . . . . ?
C5 Ru1 C3 C2 79.1(2) . . . . ?
C6 Ru1 C3 C2 37.3(2) . . . . ?
Si1 Ru1 C3 C2 -33.1(3) . . . . ?
Si2 Ru1 C3 C2 -97.68(19) . . . . ?
C1 Ru1 C3 C8 -80.5(4) . . . . ?
C4 Ru1 C3 C8 -121.7(4) . . . . ?
C5 Ru1 C3 C8 -159.0(4) . . . . ?
C2 Ru1 C3 C8 121.9(4) . . . . ?
C6 Ru1 C3 C8 159.2(4) . . . . ?
Si1 Ru1 C3 C8 88.8(3) . . . . ?
Si2 Ru1 C3 C8 24.2(3) . . . . ?
C2 C3 C4 C5 -0.4(4) . . . . ?
C8 C3 C4 C5 -173.5(3) . . . . ?
Ru1 C3 C4 C5 62.8(2) . . . . ?
C2 C3 C4 C9 175.3(3) . . . . ?
C8 C3 C4 C9 2.2(6) . . . . ?
Ru1 C3 C4 C9 -121.6(4) . . . . ?
C2 C3 C4 Ru1 -63.2(2) . . . . ?
C8 C3 C4 Ru1 123.7(3) . . . . ?
C1 Ru1 C4 C3 -147.4(2) . . . . ?
C5 Ru1 C4 C3 117.4(3) . . . . ?
C2 Ru1 C4 C3 37.85(19) . . . . ?
C6 Ru1 C4 C3 79.9(2) . . . . ?
Si1 Ru1 C4 C3 98.1(3) . . . . ?
Si2 Ru1 C4 C3 -46.3(2) . . . . ?
C1 Ru1 C4 C5 95.2(2) . . . . ?
C3 Ru1 C4 C5 -117.4(3) . . . . ?
C2 Ru1 C4 C5 -79.5(2) . . . . ?
C6 Ru1 C4 C5 -37.49(19) . . . . ?
Si1 Ru1 C4 C5 -19.3(4) . . . . ?
Si2 Ru1 C4 C5 -163.72(15) . . . . ?
C1 Ru1 C4 C9 -25.5(4) . . . . ?
C5 Ru1 C4 C9 -120.7(4) . . . . ?
C3 Ru1 C4 C9 121.9(4) . . . . ?
C2 Ru1 C4 C9 159.8(4) . . . . ?
C6 Ru1 C4 C9 -158.2(4) . . . . ?
Si1 Ru1 C4 C9 -140.0(3) . . . . ?
Si2 Ru1 C4 C9 75.6(4) . . . . ?
C3 C4 C5 C6 1.0(4) . . . . ?
C9 C4 C5 C6 -174.8(3) . . . . ?
Ru1 C4 C5 C6 63.8(2) . . . . ?
C3 C4 C5 C10 175.4(3) . . . . ?
C9 C4 C5 C10 -0.3(6) . . . . ?
Ru1 C4 C5 C10 -121.8(4) . . . . ?
C3 C4 C5 Ru1 -62.9(2) . . . . ?
C9 C4 C5 Ru1 121.4(3) . . . . ?
C1 Ru1 C5 C6 154.3(2) . . . . ?
C4 Ru1 C5 C6 -116.4(3) . . . . ?
C3 Ru1 C5 C6 -79.3(2) . . . . ?
C2 Ru1 C5 C6 -37.06(19) . . . . ?
Si1 Ru1 C5 C6 56.2(2) . . . . ?
Si2 Ru1 C5 C6 -68.1(4) . . . . ?
C1 Ru1 C5 C4 -89.3(2) . . . . ?
C3 Ru1 C5 C4 37.13(19) . . . . ?
C2 Ru1 C5 C4 79.4(2) . . . . ?
C6 Ru1 C5 C4 116.4(3) . . . . ?
Si1 Ru1 C5 C4 172.63(16) . . . . ?
Si2 Ru1 C5 C4 48.3(4) . . . . ?
C1 Ru1 C5 C10 32.6(3) . . . . ?
C4 Ru1 C5 C10 121.9(4) . . . . ?
C3 Ru1 C5 C10 159.0(3) . . . . ?
C2 Ru1 C5 C10 -158.7(3) . . . . ?
C6 Ru1 C5 C10 -121.7(4) . . . . ?
Si1 Ru1 C5 C10 -65.5(3) . . . . ?
Si2 Ru1 C5 C10 170.2(2) . . . . ?
C4 C5 C6 C2 -1.1(4) . . . . ?
C10 C5 C6 C2 -175.6(3) . . . . ?
Ru1 C5 C6 C2 61.9(2) . . . . ?
C4 C5 C6 C11 171.6(3) . . . . ?
C10 C5 C6 C11 -2.9(6) . . . . ?
Ru1 C5 C6 C11 -125.3(3) . . . . ?
C4 C5 C6 Ru1 -63.0(2) . . . . ?
C10 C5 C6 Ru1 122.5(4) . . . . ?
C3 C2 C6 C5 0.9(4) . . . . ?
C7 C2 C6 C5 169.5(3) . . . . ?
Ru1 C2 C6 C5 -61.7(2) . . . . ?
C3 C2 C6 C11 -171.9(3) . . . . ?
C7 C2 C6 C11 -3.3(5) . . . . ?
Ru1 C2 C6 C11 125.5(3) . . . . ?
C3 C2 C6 Ru1 62.6(2) . . . . ?
C7 C2 C6 Ru1 -128.8(3) . . . . ?
C1 Ru1 C6 C5 -34.0(3) . . . . ?
C4 Ru1 C6 C5 37.9(2) . . . . ?
C3 Ru1 C6 C5 80.0(2) . . . . ?
C2 Ru1 C6 C5 117.7(3) . . . . ?
Si1 Ru1 C6 C5 -136.31(18) . . . . ?
Si2 Ru1 C6 C5 158.07(16) . . . . ?
C1 Ru1 C6 C2 -151.6(2) . . . . ?
C4 Ru1 C6 C2 -79.7(2) . . . . ?
C5 Ru1 C6 C2 -117.7(3) . . . . ?
C3 Ru1 C6 C2 -37.61(19) . . . . ?
Si1 Ru1 C6 C2 106.04(18) . . . . ?
Si2 Ru1 C6 C2 40.4(2) . . . . ?
C1 Ru1 C6 C11 87.3(4) . . . . ?
C4 Ru1 C6 C11 159.2(4) . . . . ?
C5 Ru1 C6 C11 121.3(4) . . . . ?
C3 Ru1 C6 C11 -158.7(4) . . . . ?
C2 Ru1 C6 C11 -121.1(4) . . . . ?
Si1 Ru1 C6 C11 -15.1(3) . . . . ?
Si2 Ru1 C6 C11 -80.7(3) . . . . ?
C12 Si1 C13 C16 -151.5(3) . . . . ?
Ru1 Si1 C13 C16 56.3(3) . . . . ?
Si2 Si1 C13 C16 -18.4(3) . . . . ?
C12 Si1 C13 C14 88.8(3) . . . . ?
Ru1 Si1 C13 C14 -63.4(3) . . . . ?
Si2 Si1 C13 C14 -138.1(2) . . . . ?
C12 Si1 C13 C15 -30.0(3) . . . . ?
Ru1 Si1 C13 C15 177.8(2) . . . . ?
Si2 Si1 C13 C15 103.1(3) . . . . ?
C17 Si2 C18 C20 -178.7(3) . . . . ?
Ru1 Si2 C18 C20 -27.1(4) . . . . ?
Si1 Si2 C18 C20 49.3(4) . . . . ?
C17 Si2 C18 C19 57.4(3) . . . . ?
Ru1 Si2 C18 C19 -151.0(2) . . . . ?
Si1 Si2 C18 C19 -74.6(3) . . . . ?
C17 Si2 C18 C21 -59.0(3) . . . . ?
Ru1 Si2 C18 C21 92.6(3) . . . . ?
Si1 Si2 C18 C21 169.0(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.105
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Heat-sensitive,Oxygen-sensitive'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_kk025
_database_code_depnum_ccdc_archive 'CCDC 1530380'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-03-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        'hydroge-bridged bis(silylene)iron complex'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C21 H40 Fe O Si2'
_chemical_formula_weight         420.56

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Fe Fe 0.3463 0.8444 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3327(4)
_cell_length_b                   9.4416(7)
_cell_length_c                   16.9080(12)
_cell_angle_alpha                98.2428(15)
_cell_angle_beta                 92.326(3)
_cell_angle_gamma                114.276(3)
_cell_volume                     1192.74(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    14544
_cell_measurement_theta_min      2.4
_cell_measurement_theta_max      27.5

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             456
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8253
_exptl_absorpt_correction_T_max  0.9432
_exptl_absorpt_process_details   'NUMABS (Higashi, 1999)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.00
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15181
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         1.22
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5394
_reflns_number_gt                4944
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       PROCESS-AUTO
_computing_cell_refinement       PROECSS-AUTO
_computing_data_reduction        'teXsan Ver.1.11'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Yadokari-XG2009(Wakita, Nemoto et al.,2009)'
_computing_publication_material  'Yadokari-XG2009(Wakita, Nemoto et al.,2009)'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.7419P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5394
_refine_ls_number_parameters     243
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0380
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0824
_refine_ls_wR_factor_gt          0.0800
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.72139(3) 0.95176(3) 0.751212(13) 0.01577(7) Uani 1 1 d . . .
C1 C 0.5332(2) 0.96172(19) 0.71092(10) 0.0213(3) Uani 1 1 d . . .
O1 O 0.39644(16) 0.94906(17) 0.68320(9) 0.0328(3) Uani 1 1 d . . .
C2 C 0.8737(2) 0.8449(2) 0.80039(11) 0.0226(3) Uani 1 1 d . . .
C3 C 0.8126(2) 0.7745(2) 0.71797(11) 0.0231(3) Uani 1 1 d . . .
C4 C 0.6243(2) 0.70776(19) 0.70927(11) 0.0241(3) Uani 1 1 d . . .
C5 C 0.5681(2) 0.7358(2) 0.78684(11) 0.0246(4) Uani 1 1 d . . .
C6 C 0.7215(2) 0.8213(2) 0.84295(11) 0.0238(3) Uani 1 1 d . . .
C7 C 1.0610(2) 0.9041(2) 0.83868(12) 0.0299(4) Uani 1 1 d . . .
H1 H 1.0795 0.8166 0.8558 0.045 Uiso 1 1 calc R . .
H2 H 1.0819 0.9863 0.8855 0.045 Uiso 1 1 calc R . .
H3 H 1.1435 0.9481 0.7997 0.045 Uiso 1 1 calc R . .
C8 C 0.9260(3) 0.7545(2) 0.65425(13) 0.0332(4) Uani 1 1 d . . .
H4 H 1.0455 0.8400 0.6667 0.050 Uiso 1 1 calc R . .
H5 H 0.8741 0.7578 0.6018 0.050 Uiso 1 1 calc R . .
H6 H 0.9323 0.6528 0.6527 0.050 Uiso 1 1 calc R . .
C9 C 0.5056(3) 0.6141(2) 0.63342(13) 0.0360(4) Uani 1 1 d . . .
H7 H 0.4748 0.5016 0.6318 0.054 Uiso 1 1 calc R . .
H8 H 0.5673 0.6482 0.5867 0.054 Uiso 1 1 calc R . .
H9 H 0.3974 0.6313 0.6323 0.054 Uiso 1 1 calc R . .
C10 C 0.3786(3) 0.6743(3) 0.80588(14) 0.0365(5) Uani 1 1 d . . .
H10 H 0.3022 0.6714 0.7595 0.055 Uiso 1 1 calc R . .
H11 H 0.3690 0.7439 0.8525 0.055 Uiso 1 1 calc R . .
H12 H 0.3414 0.5676 0.8180 0.055 Uiso 1 1 calc R . .
C11 C 0.7233(3) 0.8623(3) 0.93231(12) 0.0349(4) Uani 1 1 d . . .
H13 H 0.6236 0.8888 0.9437 0.052 Uiso 1 1 calc R . .
H14 H 0.8348 0.9529 0.9543 0.052 Uiso 1 1 calc R . .
H15 H 0.7128 0.7717 0.9572 0.052 Uiso 1 1 calc R . .
Si1 Si 0.89833(6) 1.13391(5) 0.68479(3) 0.01755(10) Uani 1 1 d . . .
Si2 Si 0.83788(6) 1.19457(5) 0.82375(3) 0.01831(10) Uani 1 1 d . . .
C12 C 1.1393(2) 1.1742(2) 0.68247(11) 0.0263(4) Uani 1 1 d . . .
H16 H 1.1534 1.1133 0.6334 0.039 Uiso 1 1 calc R . .
H17 H 1.1799 1.1432 0.7296 0.039 Uiso 1 1 calc R . .
H18 H 1.2097 1.2870 0.6833 0.039 Uiso 1 1 calc R . .
C13 C 0.8301(2) 1.1996(2) 0.59135(10) 0.0252(4) Uani 1 1 d . . .
C14 C 0.6856(3) 1.2598(2) 0.60350(13) 0.0346(4) Uani 1 1 d . . .
H19 H 0.7300 1.3532 0.6461 0.052 Uiso 1 1 calc R . .
H20 H 0.5805 1.1769 0.6189 0.052 Uiso 1 1 calc R . .
H21 H 0.6544 1.2877 0.5533 0.052 Uiso 1 1 calc R . .
C15 C 0.9906(3) 1.3312(3) 0.56515(13) 0.0378(5) Uani 1 1 d . . .
H22 H 0.9528 1.3630 0.5177 0.057 Uiso 1 1 calc R . .
H23 H 1.0804 1.2921 0.5521 0.057 Uiso 1 1 calc R . .
H24 H 1.0410 1.4222 0.6090 0.057 Uiso 1 1 calc R . .
C16 C 0.7601(3) 1.0533(3) 0.52488(12) 0.0385(5) Uani 1 1 d . . .
H25 H 0.6523 0.9722 0.5395 0.058 Uiso 1 1 calc R . .
H26 H 0.8502 1.0122 0.5185 0.058 Uiso 1 1 calc R . .
H27 H 0.7329 1.0820 0.4742 0.058 Uiso 1 1 calc R . .
C17 C 1.0520(2) 1.2714(2) 0.89235(11) 0.0286(4) Uani 1 1 d . . .
H28 H 1.0996 1.3866 0.9066 0.043 Uiso 1 1 calc R . .
H29 H 1.1380 1.2423 0.8647 0.043 Uiso 1 1 calc R . .
H30 H 1.0293 1.2252 0.9413 0.043 Uiso 1 1 calc R . .
C18 C 0.7178(2) 1.3190(2) 0.86622(11) 0.0269(4) Uani 1 1 d . . .
C19 C 0.6936(4) 1.2909(3) 0.95338(14) 0.0507(6) Uani 1 1 d . . .
H31 H 0.6343 1.3531 0.9790 0.076 Uiso 1 1 calc R . .
H32 H 0.8098 1.3232 0.9834 0.076 Uiso 1 1 calc R . .
H33 H 0.6215 1.1786 0.9532 0.076 Uiso 1 1 calc R . .
H34 H 0.933(2) 1.303(2) 0.7508(11) 0.017(4) Uiso 1 1 d . . .
C20 C 0.8329(3) 1.4960(3) 0.86859(16) 0.0452(5) Uani 1 1 d . . .
H35 H 0.8436 1.5174 0.8136 0.068 Uiso 1 1 calc R . .
H36 H 0.9509 1.5249 0.8959 0.068 Uiso 1 1 calc R . .
H37 H 0.7776 1.5582 0.8978 0.068 Uiso 1 1 calc R . .
C21 C 0.5399(3) 1.2762(3) 0.82070(16) 0.0523(7) Uani 1 1 d . . .
H38 H 0.4656 1.1634 0.8176 0.079 Uiso 1 1 calc R . .
H39 H 0.5565 1.2999 0.7663 0.079 Uiso 1 1 calc R . .
H40 H 0.4822 1.3376 0.8487 0.079 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Fe1 C1 1.7278(17) . ?
Fe1 C4 2.1017(17) . ?
Fe1 C5 2.1040(17) . ?
Fe1 C6 2.1146(17) . ?
Fe1 C3 2.1227(17) . ?
Fe1 C2 2.1281(16) . ?
Fe1 Si2 2.2292(5) . ?
Fe1 Si1 2.2352(5) . ?
C1 O1 1.167(2) . ?
C2 C3 1.429(2) . ?
C2 C6 1.437(2) . ?
C2 C7 1.504(2) . ?
C3 C4 1.422(2) . ?
C3 C8 1.503(2) . ?
C4 C5 1.436(2) . ?
C4 C9 1.502(3) . ?
C5 C6 1.421(3) . ?
C5 C10 1.508(2) . ?
C6 C11 1.503(3) . ?
C7 H1 0.9800 . ?
C7 H2 0.9800 . ?
C7 H3 0.9800 . ?
C8 H4 0.9800 . ?
C8 H5 0.9800 . ?
C8 H6 0.9800 . ?
C9 H7 0.9800 . ?
C9 H8 0.9800 . ?
C9 H9 0.9800 . ?
C10 H10 0.9800 . ?
C10 H11 0.9800 . ?
C10 H12 0.9800 . ?
C11 H13 0.9800 . ?
C11 H14 0.9800 . ?
C11 H15 0.9800 . ?
Si1 C12 1.8869(17) . ?
Si1 C13 1.9239(18) . ?
Si1 Si2 2.4597(6) . ?
Si1 H34 1.718(18) . ?
Si2 C17 1.8924(18) . ?
Si2 C18 1.9185(18) . ?
Si2 H34 1.721(19) . ?
C12 H16 0.9800 . ?
C12 H17 0.9800 . ?
C12 H18 0.9800 . ?
C13 C16 1.533(3) . ?
C13 C14 1.537(3) . ?
C13 C15 1.539(3) . ?
C14 H19 0.9800 . ?
C14 H20 0.9800 . ?
C14 H21 0.9800 . ?
C15 H22 0.9800 . ?
C15 H23 0.9800 . ?
C15 H24 0.9800 . ?
C16 H25 0.9800 . ?
C16 H26 0.9800 . ?
C16 H27 0.9800 . ?
C17 H28 0.9800 . ?
C17 H29 0.9800 . ?
C17 H30 0.9800 . ?
C18 C21 1.509(3) . ?
C18 C20 1.540(3) . ?
C18 C19 1.541(3) . ?
C19 H31 0.9800 . ?
C19 H32 0.9800 . ?
C19 H33 0.9800 . ?
C20 H35 0.9800 . ?
C20 H36 0.9800 . ?
C20 H37 0.9800 . ?
C21 H38 0.9800 . ?
C21 H39 0.9800 . ?
C21 H40 0.9800 . ?

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
C1 Fe1 C4 93.18(7) . . ?
C1 Fe1 C5 91.08(8) . . ?
C4 Fe1 C5 39.93(7) . . ?
C1 Fe1 C6 123.39(7) . . ?
C4 Fe1 C6 66.59(7) . . ?
C5 Fe1 C6 39.38(7) . . ?
C1 Fe1 C3 127.75(7) . . ?
C4 Fe1 C3 39.35(6) . . ?
C5 Fe1 C3 66.31(7) . . ?
C6 Fe1 C3 66.34(7) . . ?
C1 Fe1 C2 156.56(8) . . ?
C4 Fe1 C2 66.13(7) . . ?
C5 Fe1 C2 66.11(7) . . ?
C6 Fe1 C2 39.58(6) . . ?
C3 Fe1 C2 39.28(7) . . ?
C1 Fe1 Si2 95.80(6) . . ?
C4 Fe1 Si2 166.11(5) . . ?
C5 Fe1 Si2 129.10(5) . . ?
C6 Fe1 Si2 99.57(5) . . ?
C3 Fe1 Si2 135.48(5) . . ?
C2 Fe1 Si2 102.75(5) . . ?
C1 Fe1 Si1 92.69(6) . . ?
C4 Fe1 Si1 123.32(5) . . ?
C5 Fe1 Si1 163.08(5) . . ?
C6 Fe1 Si1 143.23(5) . . ?
C3 Fe1 Si1 98.63(5) . . ?
C2 Fe1 Si1 107.66(5) . . ?
Si2 Fe1 Si1 66.865(18) . . ?
O1 C1 Fe1 171.86(15) . . ?
C3 C2 C6 108.02(15) . . ?
C3 C2 C7 125.56(16) . . ?
C6 C2 C7 125.41(16) . . ?
C3 C2 Fe1 70.16(9) . . ?
C6 C2 Fe1 69.70(9) . . ?
C7 C2 Fe1 134.68(13) . . ?
C4 C3 C2 108.08(15) . . ?
C4 C3 C8 125.67(17) . . ?
C2 C3 C8 125.75(16) . . ?
C4 C3 Fe1 69.53(10) . . ?
C2 C3 Fe1 70.56(9) . . ?
C8 C3 Fe1 131.85(13) . . ?
C3 C4 C5 107.95(15) . . ?
C3 C4 C9 125.75(17) . . ?
C5 C4 C9 126.15(16) . . ?
C3 C4 Fe1 71.12(9) . . ?
C5 C4 Fe1 70.12(10) . . ?
C9 C4 Fe1 127.74(14) . . ?
C6 C5 C4 108.21(15) . . ?
C6 C5 C10 126.24(17) . . ?
C4 C5 C10 125.42(18) . . ?
C6 C5 Fe1 70.71(10) . . ?
C4 C5 Fe1 69.95(10) . . ?
C10 C5 Fe1 128.28(13) . . ?
C5 C6 C2 107.74(15) . . ?
C5 C6 C11 125.82(17) . . ?
C2 C6 C11 126.06(17) . . ?
C5 C6 Fe1 69.91(10) . . ?
C2 C6 Fe1 70.72(9) . . ?
C11 C6 Fe1 130.29(13) . . ?
C2 C7 H1 109.5 . . ?
C2 C7 H2 109.5 . . ?
H1 C7 H2 109.5 . . ?
C2 C7 H3 109.5 . . ?
H1 C7 H3 109.5 . . ?
H2 C7 H3 109.5 . . ?
C3 C8 H4 109.5 . . ?
C3 C8 H5 109.5 . . ?
H4 C8 H5 109.5 . . ?
C3 C8 H6 109.5 . . ?
H4 C8 H6 109.5 . . ?
H5 C8 H6 109.5 . . ?
C4 C9 H7 109.5 . . ?
C4 C9 H8 109.5 . . ?
H7 C9 H8 109.5 . . ?
C4 C9 H9 109.5 . . ?
H7 C9 H9 109.5 . . ?
H8 C9 H9 109.5 . . ?
C5 C10 H10 109.5 . . ?
C5 C10 H11 109.5 . . ?
H10 C10 H11 109.5 . . ?
C5 C10 H12 109.5 . . ?
H10 C10 H12 109.5 . . ?
H11 C10 H12 109.5 . . ?
C6 C11 H13 109.5 . . ?
C6 C11 H14 109.5 . . ?
H13 C11 H14 109.5 . . ?
C6 C11 H15 109.5 . . ?
H13 C11 H15 109.5 . . ?
H14 C11 H15 109.5 . . ?
C12 Si1 C13 106.80(8) . . ?
C12 Si1 Fe1 121.02(6) . . ?
C13 Si1 Fe1 126.97(6) . . ?
C12 Si1 Si2 110.12(6) . . ?
C13 Si1 Si2 127.27(6) . . ?
Fe1 Si1 Si2 56.452(16) . . ?
C12 Si1 H34 96.3(6) . . ?
C13 Si1 H34 95.9(6) . . ?
Fe1 Si1 H34 100.0(6) . . ?
Si2 Si1 H34 44.4(6) . . ?
C17 Si2 C18 104.98(8) . . ?
C17 Si2 Fe1 121.48(6) . . ?
C18 Si2 Fe1 128.39(6) . . ?
C17 Si2 Si1 108.62(6) . . ?
C18 Si2 Si1 129.45(6) . . ?
Fe1 Si2 Si1 56.683(16) . . ?
C17 Si2 H34 94.4(6) . . ?
C18 Si2 H34 97.2(6) . . ?
Fe1 Si2 H34 100.1(6) . . ?
Si1 Si2 H34 44.3(6) . . ?
Si1 C12 H16 109.5 . . ?
Si1 C12 H17 109.5 . . ?
H16 C12 H17 109.5 . . ?
Si1 C12 H18 109.5 . . ?
H16 C12 H18 109.5 . . ?
H17 C12 H18 109.5 . . ?
C16 C13 C14 109.30(16) . . ?
C16 C13 C15 109.26(16) . . ?
C14 C13 C15 107.87(16) . . ?
C16 C13 Si1 105.75(13) . . ?
C14 C13 Si1 113.72(13) . . ?
C15 C13 Si1 110.87(13) . . ?
C13 C14 H19 109.5 . . ?
C13 C14 H20 109.5 . . ?
H19 C14 H20 109.5 . . ?
C13 C14 H21 109.5 . . ?
H19 C14 H21 109.5 . . ?
H20 C14 H21 109.5 . . ?
C13 C15 H22 109.5 . . ?
C13 C15 H23 109.5 . . ?
H22 C15 H23 109.5 . . ?
C13 C15 H24 109.5 . . ?
H22 C15 H24 109.5 . . ?
H23 C15 H24 109.5 . . ?
C13 C16 H25 109.5 . . ?
C13 C16 H26 109.5 . . ?
H25 C16 H26 109.5 . . ?
C13 C16 H27 109.5 . . ?
H25 C16 H27 109.5 . . ?
H26 C16 H27 109.5 . . ?
Si2 C17 H28 109.5 . . ?
Si2 C17 H29 109.5 . . ?
H28 C17 H29 109.5 . . ?
Si2 C17 H30 109.5 . . ?
H28 C17 H30 109.5 . . ?
H29 C17 H30 109.5 . . ?
C21 C18 C20 108.35(19) . . ?
C21 C18 C19 109.74(19) . . ?
C20 C18 C19 108.22(18) . . ?
C21 C18 Si2 114.23(13) . . ?
C20 C18 Si2 110.82(13) . . ?
C19 C18 Si2 105.32(14) . . ?
C18 C19 H31 109.5 . . ?
C18 C19 H32 109.5 . . ?
H31 C19 H32 109.5 . . ?
C18 C19 H33 109.5 . . ?
H31 C19 H33 109.5 . . ?
H32 C19 H33 109.5 . . ?
C18 C20 H35 109.5 . . ?
C18 C20 H36 109.5 . . ?
H35 C20 H36 109.5 . . ?
C18 C20 H37 109.5 . . ?
H35 C20 H37 109.5 . . ?
H36 C20 H37 109.5 . . ?
C18 C21 H38 109.5 . . ?
C18 C21 H39 109.5 . . ?
H38 C21 H39 109.5 . . ?
C18 C21 H40 109.5 . . ?
H38 C21 H40 109.5 . . ?
H39 C21 H40 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C4 Fe1 C1 O1 17.6(11) . . . . ?
C5 Fe1 C1 O1 -22.3(11) . . . . ?
C6 Fe1 C1 O1 -46.3(11) . . . . ?
C3 Fe1 C1 O1 38.2(11) . . . . ?
C2 Fe1 C1 O1 -9.4(12) . . . . ?
Si2 Fe1 C1 O1 -151.8(11) . . . . ?
Si1 Fe1 C1 O1 141.2(11) . . . . ?
C1 Fe1 C2 C3 67.1(2) . . . . ?
C4 Fe1 C2 C3 37.38(10) . . . . ?
C5 Fe1 C2 C3 81.23(11) . . . . ?
C6 Fe1 C2 C3 118.95(15) . . . . ?
Si2 Fe1 C2 C3 -151.40(9) . . . . ?
Si1 Fe1 C2 C3 -81.93(10) . . . . ?
C1 Fe1 C2 C6 -51.8(2) . . . . ?
C4 Fe1 C2 C6 -81.57(11) . . . . ?
C5 Fe1 C2 C6 -37.72(11) . . . . ?
C3 Fe1 C2 C6 -118.95(15) . . . . ?
Si2 Fe1 C2 C6 89.65(10) . . . . ?
Si1 Fe1 C2 C6 159.12(9) . . . . ?
C1 Fe1 C2 C7 -172.02(18) . . . . ?
C4 Fe1 C2 C7 158.2(2) . . . . ?
C5 Fe1 C2 C7 -157.9(2) . . . . ?
C6 Fe1 C2 C7 -120.2(2) . . . . ?
C3 Fe1 C2 C7 120.8(2) . . . . ?
Si2 Fe1 C2 C7 -30.55(19) . . . . ?
Si1 Fe1 C2 C7 38.92(19) . . . . ?
C6 C2 C3 C4 0.01(19) . . . . ?
C7 C2 C3 C4 168.98(16) . . . . ?
Fe1 C2 C3 C4 -59.65(12) . . . . ?
C6 C2 C3 C8 -172.19(17) . . . . ?
C7 C2 C3 C8 -3.2(3) . . . . ?
Fe1 C2 C3 C8 128.15(18) . . . . ?
C6 C2 C3 Fe1 59.66(12) . . . . ?
C7 C2 C3 Fe1 -131.37(17) . . . . ?
C1 Fe1 C3 C4 -33.50(14) . . . . ?
C5 Fe1 C3 C4 38.21(11) . . . . ?
C6 Fe1 C3 C4 81.38(11) . . . . ?
C2 Fe1 C3 C4 118.88(15) . . . . ?
Si2 Fe1 C3 C4 160.63(9) . . . . ?
Si1 Fe1 C3 C4 -133.72(10) . . . . ?
C1 Fe1 C3 C2 -152.38(11) . . . . ?
C4 Fe1 C3 C2 -118.88(15) . . . . ?
C5 Fe1 C3 C2 -80.67(11) . . . . ?
C6 Fe1 C3 C2 -37.50(10) . . . . ?
Si2 Fe1 C3 C2 41.75(12) . . . . ?
Si1 Fe1 C3 C2 107.40(9) . . . . ?
C1 Fe1 C3 C8 86.58(19) . . . . ?
C4 Fe1 C3 C8 120.1(2) . . . . ?
C5 Fe1 C3 C8 158.3(2) . . . . ?
C6 Fe1 C3 C8 -158.5(2) . . . . ?
C2 Fe1 C3 C8 -121.0(2) . . . . ?
Si2 Fe1 C3 C8 -79.29(19) . . . . ?
Si1 Fe1 C3 C8 -13.64(18) . . . . ?
C2 C3 C4 C5 -0.46(19) . . . . ?
C8 C3 C4 C5 171.75(17) . . . . ?
Fe1 C3 C4 C5 -60.75(12) . . . . ?
C2 C3 C4 C9 -176.28(17) . . . . ?
C8 C3 C4 C9 -4.1(3) . . . . ?
Fe1 C3 C4 C9 123.43(19) . . . . ?
C2 C3 C4 Fe1 60.30(12) . . . . ?
C8 C3 C4 Fe1 -127.50(18) . . . . ?
C1 Fe1 C4 C3 154.08(11) . . . . ?
C5 Fe1 C4 C3 -118.04(15) . . . . ?
C6 Fe1 C4 C3 -80.70(11) . . . . ?
C2 Fe1 C4 C3 -37.32(10) . . . . ?
Si2 Fe1 C4 C3 -75.6(2) . . . . ?
Si1 Fe1 C4 C3 58.77(12) . . . . ?
C1 Fe1 C4 C5 -87.88(11) . . . . ?
C6 Fe1 C4 C5 37.34(10) . . . . ?
C3 Fe1 C4 C5 118.04(15) . . . . ?
C2 Fe1 C4 C5 80.72(11) . . . . ?
Si2 Fe1 C4 C5 42.4(3) . . . . ?
Si1 Fe1 C4 C5 176.80(8) . . . . ?
C1 Fe1 C4 C9 33.01(17) . . . . ?
C5 Fe1 C4 C9 120.9(2) . . . . ?
C6 Fe1 C4 C9 158.23(18) . . . . ?
C3 Fe1 C4 C9 -121.1(2) . . . . ?
C2 Fe1 C4 C9 -158.39(18) . . . . ?
Si2 Fe1 C4 C9 163.28(15) . . . . ?
Si1 Fe1 C4 C9 -62.31(17) . . . . ?
C3 C4 C5 C6 0.74(19) . . . . ?
C9 C4 C5 C6 176.54(17) . . . . ?
Fe1 C4 C5 C6 -60.65(12) . . . . ?
C3 C4 C5 C10 -175.26(17) . . . . ?
C9 C4 C5 C10 0.5(3) . . . . ?
Fe1 C4 C5 C10 123.35(18) . . . . ?
C3 C4 C5 Fe1 61.39(12) . . . . ?
C9 C4 C5 Fe1 -122.81(19) . . . . ?
C1 Fe1 C5 C6 -147.65(11) . . . . ?
C4 Fe1 C5 C6 118.69(14) . . . . ?
C3 Fe1 C5 C6 81.02(11) . . . . ?
C2 Fe1 C5 C6 37.91(10) . . . . ?
Si2 Fe1 C5 C6 -49.28(11) . . . . ?
Si1 Fe1 C5 C6 109.48(18) . . . . ?
C1 Fe1 C5 C4 93.66(11) . . . . ?
C6 Fe1 C5 C4 -118.69(14) . . . . ?
C3 Fe1 C5 C4 -37.67(10) . . . . ?
C2 Fe1 C5 C4 -80.78(11) . . . . ?
Si2 Fe1 C5 C4 -167.96(8) . . . . ?
Si1 Fe1 C5 C4 -9.2(2) . . . . ?
C1 Fe1 C5 C10 -26.21(19) . . . . ?
C4 Fe1 C5 C10 -119.9(2) . . . . ?
C6 Fe1 C5 C10 121.4(2) . . . . ?
C3 Fe1 C5 C10 -157.5(2) . . . . ?
C2 Fe1 C5 C10 159.4(2) . . . . ?
Si2 Fe1 C5 C10 72.17(19) . . . . ?
Si1 Fe1 C5 C10 -129.08(18) . . . . ?
C4 C5 C6 C2 -0.73(19) . . . . ?
C10 C5 C6 C2 175.22(17) . . . . ?
Fe1 C5 C6 C2 -60.90(12) . . . . ?
C4 C5 C6 C11 -174.02(17) . . . . ?
C10 C5 C6 C11 1.9(3) . . . . ?
Fe1 C5 C6 C11 125.81(18) . . . . ?
C4 C5 C6 Fe1 60.17(12) . . . . ?
C10 C5 C6 Fe1 -123.87(18) . . . . ?
C3 C2 C6 C5 0.45(19) . . . . ?
C7 C2 C6 C5 -168.55(16) . . . . ?
Fe1 C2 C6 C5 60.39(12) . . . . ?
C3 C2 C6 C11 173.72(17) . . . . ?
C7 C2 C6 C11 4.7(3) . . . . ?
Fe1 C2 C6 C11 -126.34(18) . . . . ?
C3 C2 C6 Fe1 -59.94(12) . . . . ?
C7 C2 C6 Fe1 131.06(17) . . . . ?
C1 Fe1 C6 C5 39.85(13) . . . . ?
C4 Fe1 C6 C5 -37.84(10) . . . . ?
C3 Fe1 C6 C5 -80.93(11) . . . . ?
C2 Fe1 C6 C5 -118.15(15) . . . . ?
Si2 Fe1 C6 C5 143.39(9) . . . . ?
Si1 Fe1 C6 C5 -152.72(8) . . . . ?
C1 Fe1 C6 C2 158.00(11) . . . . ?
C4 Fe1 C6 C2 80.31(11) . . . . ?
C5 Fe1 C6 C2 118.15(15) . . . . ?
C3 Fe1 C6 C2 37.22(10) . . . . ?
Si2 Fe1 C6 C2 -98.46(10) . . . . ?
Si1 Fe1 C6 C2 -34.56(14) . . . . ?
C1 Fe1 C6 C11 -80.61(19) . . . . ?
C4 Fe1 C6 C11 -158.30(19) . . . . ?
C5 Fe1 C6 C11 -120.5(2) . . . . ?
C3 Fe1 C6 C11 158.61(19) . . . . ?
C2 Fe1 C6 C11 121.4(2) . . . . ?
Si2 Fe1 C6 C11 22.93(18) . . . . ?
Si1 Fe1 C6 C11 86.82(18) . . . . ?
C1 Fe1 Si1 C12 -170.08(9) . . . . ?
C4 Fe1 Si1 C12 -74.50(9) . . . . ?
C5 Fe1 Si1 C12 -67.43(19) . . . . ?
C6 Fe1 Si1 C12 20.40(11) . . . . ?
C3 Fe1 Si1 C12 -41.24(9) . . . . ?
C2 Fe1 Si1 C12 -1.89(9) . . . . ?
Si2 Fe1 Si1 C12 94.76(7) . . . . ?
C1 Fe1 Si1 C13 -19.06(9) . . . . ?
C4 Fe1 Si1 C13 76.52(10) . . . . ?
C5 Fe1 Si1 C13 83.59(19) . . . . ?
C6 Fe1 Si1 C13 171.42(11) . . . . ?
C3 Fe1 Si1 C13 109.78(9) . . . . ?
C2 Fe1 Si1 C13 149.13(9) . . . . ?
Si2 Fe1 Si1 C13 -114.22(7) . . . . ?
C1 Fe1 Si1 Si2 95.17(6) . . . . ?
C4 Fe1 Si1 Si2 -169.25(6) . . . . ?
C5 Fe1 Si1 Si2 -162.19(18) . . . . ?
C6 Fe1 Si1 Si2 -74.36(8) . . . . ?
C3 Fe1 Si1 Si2 -136.00(5) . . . . ?
C2 Fe1 Si1 Si2 -96.65(5) . . . . ?
C1 Fe1 Si2 C17 176.95(9) . . . . ?
C4 Fe1 Si2 C17 46.9(2) . . . . ?
C5 Fe1 Si2 C17 80.81(10) . . . . ?
C6 Fe1 Si2 C17 51.62(9) . . . . ?
C3 Fe1 Si2 C17 -14.24(11) . . . . ?
C2 Fe1 Si2 C17 11.37(9) . . . . ?
Si1 Fe1 Si2 C17 -92.61(8) . . . . ?
C1 Fe1 Si2 C18 26.25(10) . . . . ?
C4 Fe1 Si2 C18 -103.8(2) . . . . ?
C5 Fe1 Si2 C18 -69.89(10) . . . . ?
C6 Fe1 Si2 C18 -99.07(9) . . . . ?
C3 Fe1 Si2 C18 -164.94(10) . . . . ?
C2 Fe1 Si2 C18 -139.33(9) . . . . ?
Si1 Fe1 Si2 C18 116.70(8) . . . . ?
C1 Fe1 Si2 Si1 -90.45(6) . . . . ?
C4 Fe1 Si2 Si1 139.5(2) . . . . ?
C5 Fe1 Si2 Si1 173.41(6) . . . . ?
C6 Fe1 Si2 Si1 144.23(5) . . . . ?
C3 Fe1 Si2 Si1 78.36(7) . . . . ?
C2 Fe1 Si2 Si1 103.98(5) . . . . ?
C12 Si1 Si2 C17 1.43(9) . . . . ?
C13 Si1 Si2 C17 -130.30(10) . . . . ?
Fe1 Si1 Si2 C17 115.98(7) . . . . ?
C12 Si1 Si2 C18 130.51(10) . . . . ?
C13 Si1 Si2 C18 -1.22(11) . . . . ?
Fe1 Si1 Si2 C18 -114.94(8) . . . . ?
C12 Si1 Si2 Fe1 -114.55(7) . . . . ?
C13 Si1 Si2 Fe1 113.72(7) . . . . ?
C12 Si1 C13 C16 91.08(14) . . . . ?
Fe1 Si1 C13 C16 -63.21(15) . . . . ?
Si2 Si1 C13 C16 -135.97(11) . . . . ?
C12 Si1 C13 C14 -148.98(14) . . . . ?
Fe1 Si1 C13 C14 56.73(16) . . . . ?
Si2 Si1 C13 C14 -16.03(17) . . . . ?
C12 Si1 C13 C15 -27.23(16) . . . . ?
Fe1 Si1 C13 C15 178.48(11) . . . . ?
Si2 Si1 C13 C15 105.72(13) . . . . ?
C17 Si2 C18 C21 -179.34(18) . . . . ?
Fe1 Si2 C18 C21 -24.9(2) . . . . ?
Si1 Si2 C18 C21 50.3(2) . . . . ?
C17 Si2 C18 C20 57.95(17) . . . . ?
Fe1 Si2 C18 C20 -147.65(13) . . . . ?
Si1 Si2 C18 C20 -72.46(16) . . . . ?
C17 Si2 C18 C19 -58.86(16) . . . . ?
Fe1 Si2 C18 C19 95.54(15) . . . . ?
Si1 Si2 C18 C19 170.74(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.985
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.985
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.065
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexane'
_chemical_properties_physical    
', Air-sensitive,Moisture-sensitive,Oxygen-sensitive'
