#------------------------------------------------------------------------------
#$Date: 2023-04-20 02:57:02 +0300 (Thu, 20 Apr 2023) $
#$Revision: 282755 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/28/7712839.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_7712839
loop_
_publ_author_name
'Rupf, Susanne M.'
'Sievers, Robin'
'Riemann, Paulin S.'
'Reimann, Marc'
'Kaupp, Martin'
'Fasting, Dr. Carlo'
'Malischewski, Moritz'
_publ_section_title
;
 Persilylation of Ferrocene: The Ultimate Discipline in Sterically
 Overcrowded Metal Complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01133J
_journal_year                    2023
_chemical_formula_moiety         'C26 H58 Fe Si8'
_chemical_formula_sum            'C26 H58 Fe Si8'
_chemical_formula_weight         651.29
_chemical_name_systematic        4b
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-03-12
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2023-03-12 deposited with the CCDC.	2023-04-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.4200(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.7412(7)
_cell_length_b                   20.9752(7)
_cell_length_c                   19.7446(7)
_cell_measurement_reflns_used    9930
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      25.347
_cell_measurement_theta_min      2.232
_cell_volume                     7557.8(5)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_unetI/netI     0.0585
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            85274
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.402
_diffrn_reflns_theta_min         1.855
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1039 before and 0.0707 after correction.
The Ratio of minimum to maximum transmission is 0.9026.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.145
_exptl_crystal_description       plate
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.518
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     663
_refine_ls_number_reflns         13874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0772
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0580P)²+4.1466P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1106
_refine_ls_wR_factor_ref         0.1287
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9769
_reflns_number_total             13874
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01133j2.cif
_cod_data_source_block           test2
_cod_database_code               7712839
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.930
_shelx_estimated_absorpt_t_min   0.840
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All Si(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 Si1(H1), Si2(H2), Si12(H12), Si13(H13), Si14(H14), Si15(H15), Si16(H16),
 Si17(H17), Si18(H18), Si19(H19), Si22(H22), Si23(H23), Si24(H24), Si25(H25),
 Si26(H26), Si27(H27)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C19(H19A), C20(H20), C29(H29)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C120(H12A,H12B,H12C), C121(H12D,H12E,H12F),
 C130(H13A,H13B,H13C), C131(H13D,H13E,H13F), C140(H14A,H14B,H14C), C141(H14D,
 H14E,H14F), C150(H15A,H15B,H15C), C151(H15D,H15E,H15F), C160(H16A,H16B,H16C),
 C161(H16D,H16E,H16F), C170(H17A,H17B,H17C), C171(H17D,H17E,H17F), C180(H18A,
 H18B,H18C), C181(H18D,H18E,H18F), C190(H19B,H19C,H19D), C191(H19E,H19F,H19G),
 C220(H22A,H22B,H22C), C221(H22D,H22E,H22F), C230(H23A,H23B,H23C), C231(H23D,
 H23E,H23F), C240(H24A,H24B,H24C), C241(H24D,H24E,H24F), C250(H25A,H25B,H25C),
 C251(H25D,H25E,H25F), C260(H26A,H26B,H26C), C261(H26D,H26E,H26F), C270(H27A,
 H27B,H27C), C271(H27D,H27E,H27F), C280(H28A,H28B,H28C), C281(H28D,H28E,H28F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.25399(2) 0.56691(2) 0.74838(2) 0.01350(12) Uani 1 1 d . . . . .
Fe2 Fe 0.76059(2) 0.70765(2) 0.75166(2) 0.01393(12) Uani 1 1 d . . . . .
Si1 Si 0.83184(5) 0.80318(4) 0.92592(5) 0.0191(2) Uani 1 1 d . . . . .
H1 H 0.796803 0.786448 0.947205 0.023 Uiso 1 1 calc R U . . .
Si2 Si 0.88566(5) 0.83590(4) 0.76646(5) 0.0175(2) Uani 1 1 d . . . . .
H2 H 0.846348 0.868124 0.760007 0.021 Uiso 1 1 calc R U . . .
Si12 Si 0.10076(5) 0.68641(4) 0.70737(5) 0.0226(2) Uani 1 1 d . . . . .
H12 H 0.123397 0.727714 0.701790 0.027 Uiso 1 1 calc R U . . .
Si13 Si 0.21707(5) 0.67901(4) 0.59624(5) 0.0201(2) Uani 1 1 d . . . . .
H13 H 0.249580 0.661352 0.572446 0.024 Uiso 1 1 calc R U . . .
Si14 Si 0.23953(5) 0.50799(4) 0.57098(5) 0.0213(2) Uani 1 1 d . . . . .
H14 H 0.234433 0.460947 0.575784 0.026 Uiso 1 1 calc R U . . .
Si15 Si 0.14479(6) 0.42386(4) 0.67102(6) 0.0264(2) Uani 1 1 d . . . . .
H15 H 0.188418 0.396888 0.676786 0.032 Uiso 1 1 calc R U . . .
Si16 Si 0.34405(6) 0.41406(4) 0.81728(6) 0.0238(2) Uani 1 1 d . . . . .
H16 H 0.297212 0.391237 0.809568 0.029 Uiso 1 1 calc R U . . .
Si17 Si 0.26004(5) 0.50701(4) 0.92245(5) 0.0215(2) Uani 1 1 d . . . . .
H17 H 0.258718 0.459738 0.915519 0.026 Uiso 1 1 calc R U . . .
Si18 Si 0.30478(5) 0.67502(4) 0.90523(5) 0.0194(2) Uani 1 1 d . . . . .
H18 H 0.267797 0.661850 0.925789 0.023 Uiso 1 1 calc R U . . .
Si19 Si 0.42289(5) 0.66953(5) 0.79450(5) 0.0229(2) Uani 1 1 d . . . . .
H19 H 0.405633 0.713322 0.800030 0.027 Uiso 1 1 calc R U . . .
Si22 Si 0.87282(5) 0.56150(4) 0.80397(5) 0.0213(2) Uani 1 1 d . . . . .
H22 H 0.829993 0.534292 0.800392 0.026 Uiso 1 1 calc R U . . .
Si23 Si 0.79742(5) 0.63303(4) 0.92642(5) 0.0195(2) Uani 1 1 d . . . . .
H23 H 0.795488 0.587020 0.912552 0.023 Uiso 1 1 calc R U . . .
Si24 Si 0.62760(5) 0.83022(4) 0.74307(5) 0.0186(2) Uani 1 1 d . . . . .
H24 H 0.663455 0.865725 0.750078 0.022 Uiso 1 1 calc R U . . .
Si25 Si 0.68565(5) 0.81184(4) 0.58327(5) 0.0197(2) Uani 1 1 d . . . . .
H25 H 0.721314 0.798384 0.561180 0.024 Uiso 1 1 calc R U . . .
Si26 Si 0.72386(5) 0.64389(4) 0.57138(5) 0.0198(2) Uani 1 1 d . . . . .
H26 H 0.725734 0.597122 0.581785 0.024 Uiso 1 1 calc R U . . .
Si27 Si 0.64991(5) 0.56118(4) 0.68896(5) 0.0201(2) Uani 1 1 d . . . . .
H27 H 0.691692 0.534870 0.687782 0.024 Uiso 1 1 calc R U . . .
C1 C 0.90012(19) 0.82765(16) 0.67933(18) 0.0249(8) Uani 1 1 d . . . . .
H1A H 0.942662 0.800249 0.687190 0.037 Uiso 1 1 calc R U . . .
H1B H 0.908814 0.869796 0.662784 0.037 Uiso 1 1 calc R U . . .
H1C H 0.856515 0.808557 0.642018 0.037 Uiso 1 1 calc R U . . .
C2 C 0.97324(18) 0.86446(17) 0.83745(19) 0.0263(8) Uani 1 1 d . . . . .
H2A H 0.966319 0.872341 0.883317 0.039 Uiso 1 1 calc R U . . .
H2B H 0.988261 0.904073 0.820819 0.039 Uiso 1 1 calc R U . . .
H2C H 1.011260 0.832008 0.845607 0.039 Uiso 1 1 calc R U . . .
C10 C 0.14241(17) 0.55533(15) 0.71399(18) 0.0188(7) Uani 1 1 d . . . . .
H10 H 0.117472 0.544813 0.745212 0.023 Uiso 1 1 calc R U . . .
C11 C 0.15725(17) 0.61863(15) 0.69733(17) 0.0172(7) Uani 1 1 d . . . . .
C12 C 0.19722(17) 0.61346(14) 0.64988(17) 0.0166(7) Uani 1 1 d . . . . .
C13 C 0.20577(17) 0.54615(14) 0.63775(17) 0.0166(7) Uani 1 1 d . . . . .
C14 C 0.17009(17) 0.51003(15) 0.67737(18) 0.0183(7) Uani 1 1 d . . . . .
C15 C 0.32970(17) 0.50203(15) 0.81591(18) 0.0183(7) Uani 1 1 d . . . . .
C16 C 0.29949(17) 0.54147(15) 0.85806(17) 0.0170(7) Uani 1 1 d . . . . .
C17 C 0.31693(17) 0.60733(14) 0.84940(17) 0.0162(7) Uani 1 1 d . . . . .
C18 C 0.35754(17) 0.60907(15) 0.80162(17) 0.0178(7) Uani 1 1 d . . . . .
C19 C 0.36304(17) 0.54441(15) 0.78153(17) 0.0176(7) Uani 1 1 d . . . . .
H19A H 0.385990 0.531393 0.749367 0.021 Uiso 1 1 calc R U . . .
C20 C 0.86967(17) 0.69746(14) 0.76863(17) 0.0161(7) Uani 1 1 d . . . . .
H20 H 0.887678 0.690870 0.730898 0.019 Uiso 1 1 calc R U . . .
C21 C 0.84949(17) 0.64774(15) 0.80700(17) 0.0172(7) Uani 1 1 d . . . . .
C22 C 0.82418(17) 0.67861(15) 0.85856(17) 0.0162(7) Uani 1 1 d . . . . .
C23 C 0.83065(17) 0.74713(15) 0.85217(17) 0.0157(7) Uani 1 1 d . . . . .
C24 C 0.85882(17) 0.75842(15) 0.79524(17) 0.0167(7) Uani 1 1 d . . . . .
C25 C 0.66120(16) 0.75741(14) 0.71194(17) 0.0155(7) Uani 1 1 d . . . . .
C26 C 0.68926(17) 0.75142(15) 0.65415(17) 0.0167(7) Uani 1 1 d . . . . .
C27 C 0.69789(17) 0.68421(14) 0.64303(17) 0.0159(7) Uani 1 1 d . . . . .
C28 C 0.67334(17) 0.64822(15) 0.69229(17) 0.0169(7) Uani 1 1 d . . . . .
C29 C 0.65167(16) 0.69398(14) 0.73392(17) 0.0163(7) Uani 1 1 d . . . . .
H29 H 0.633564 0.683792 0.770810 0.020 Uiso 1 1 calc R U . . .
C120 C 0.0868(2) 0.68600(18) 0.7952(2) 0.0332(9) Uani 1 1 d . . . . .
H12A H 0.064956 0.645317 0.800598 0.050 Uiso 1 1 calc R U . . .
H12B H 0.053990 0.721009 0.795386 0.050 Uiso 1 1 calc R U . . .
H12C H 0.134099 0.691462 0.836040 0.050 Uiso 1 1 calc R U . . .
C121 C 0.01038(19) 0.67644(19) 0.6308(2) 0.0338(9) Uani 1 1 d . . . . .
H12D H 0.017518 0.672280 0.584542 0.051 Uiso 1 1 calc R U . . .
H12E H -0.020333 0.713742 0.628464 0.051 Uiso 1 1 calc R U . . .
H12F H -0.013710 0.638045 0.639070 0.051 Uiso 1 1 calc R U . . .
C130 C 0.2619(2) 0.75131(15) 0.6480(2) 0.0303(9) Uani 1 1 d . . . . .
H13A H 0.226791 0.774938 0.662542 0.046 Uiso 1 1 calc R U . . .
H13B H 0.278518 0.778409 0.616921 0.046 Uiso 1 1 calc R U . . .
H13C H 0.304019 0.738792 0.691781 0.046 Uiso 1 1 calc R U . . .
C131 C 0.12934(19) 0.70383(17) 0.52212(19) 0.0282(9) Uani 1 1 d . . . . .
H13D H 0.102821 0.665967 0.496369 0.042 Uiso 1 1 calc R U . . .
H13E H 0.139872 0.731626 0.487445 0.042 Uiso 1 1 calc R U . . .
H13F H 0.099237 0.726946 0.543603 0.042 Uiso 1 1 calc R U . . .
C140 C 0.33701(19) 0.52213(17) 0.58366(19) 0.0277(8) Uani 1 1 d . . . . .
H14A H 0.346300 0.568095 0.584834 0.042 Uiso 1 1 calc R U . . .
H14B H 0.346453 0.502836 0.542901 0.042 Uiso 1 1 calc R U . . .
H14C H 0.369454 0.502882 0.629886 0.042 Uiso 1 1 calc R U . . .
C141 C 0.1764(2) 0.52938(18) 0.47641(19) 0.0313(9) Uani 1 1 d . . . . .
H14D H 0.125932 0.519190 0.470146 0.047 Uiso 1 1 calc R U . . .
H14E H 0.189706 0.505110 0.440880 0.047 Uiso 1 1 calc R U . . .
H14F H 0.180401 0.575106 0.468414 0.047 Uiso 1 1 calc R U . . .
C150 C 0.1091(2) 0.40342(17) 0.7431(2) 0.0367(10) Uani 1 1 d . . . . .
H15A H 0.146914 0.412062 0.791518 0.055 Uiso 1 1 calc R U . . .
H15B H 0.095922 0.358142 0.739407 0.055 Uiso 1 1 calc R U . . .
H15C H 0.065633 0.429308 0.736231 0.055 Uiso 1 1 calc R U . . .
C151 C 0.0708(2) 0.4098(2) 0.5794(2) 0.0457(11) Uani 1 1 d . . . . .
H15D H 0.028805 0.437272 0.573767 0.069 Uiso 1 1 calc R U . . .
H15E H 0.055539 0.365061 0.575338 0.069 Uiso 1 1 calc R U . . .
H15F H 0.089148 0.419779 0.540979 0.069 Uiso 1 1 calc R U . . .
C160 C 0.3773(2) 0.39250(16) 0.7435(2) 0.0314(9) Uani 1 1 d . . . . .
H16A H 0.339917 0.403872 0.695730 0.047 Uiso 1 1 calc R U . . .
H16B H 0.386696 0.346550 0.745063 0.047 Uiso 1 1 calc R U . . .
H16C H 0.422621 0.415772 0.751070 0.047 Uiso 1 1 calc R U . . .
C161 C 0.4150(2) 0.39274(18) 0.9080(2) 0.0408(11) Uani 1 1 d . . . . .
H16D H 0.459015 0.418572 0.917168 0.061 Uiso 1 1 calc R U . . .
H16E H 0.427408 0.347469 0.908350 0.061 Uiso 1 1 calc R U . . .
H16F H 0.396086 0.400958 0.946430 0.061 Uiso 1 1 calc R U . . .
C170 C 0.16552(19) 0.53171(17) 0.9103(2) 0.0284(9) Uani 1 1 d . . . . .
H17A H 0.162730 0.578350 0.910680 0.043 Uiso 1 1 calc R U . . .
H17B H 0.153430 0.514337 0.950390 0.043 Uiso 1 1 calc R U . . .
H17C H 0.130656 0.515449 0.863444 0.043 Uiso 1 1 calc R U . . .
C171 C 0.3246(2) 0.52269(18) 1.01836(18) 0.0306(9) Uani 1 1 d . . . . .
H17D H 0.374019 0.508944 1.024301 0.046 Uiso 1 1 calc R U . . .
H17E H 0.308708 0.498953 1.052433 0.046 Uiso 1 1 calc R U . . .
H17F H 0.325097 0.568410 1.028757 0.046 Uiso 1 1 calc R U . . .
C180 C 0.2739(2) 0.75161(15) 0.8558(2) 0.0298(9) Uani 1 1 d . . . . .
H18A H 0.314588 0.771279 0.846626 0.045 Uiso 1 1 calc R U . . .
H18B H 0.257615 0.780364 0.885757 0.045 Uiso 1 1 calc R U . . .
H18C H 0.233167 0.743605 0.809099 0.045 Uiso 1 1 calc R U . . .
C181 C 0.39333(19) 0.68918(18) 0.98339(19) 0.0312(9) Uani 1 1 d . . . . .
H18D H 0.412117 0.648705 1.008262 0.047 Uiso 1 1 calc R U . . .
H18E H 0.385623 0.718998 1.017995 0.047 Uiso 1 1 calc R U . . .
H18F H 0.428841 0.707280 0.965058 0.047 Uiso 1 1 calc R U . . .
C190 C 0.4381(2) 0.66358(18) 0.7074(2) 0.0332(9) Uani 1 1 d . . . . .
H19B H 0.454922 0.620508 0.702534 0.050 Uiso 1 1 calc R U . . .
H19C H 0.475246 0.694689 0.707759 0.050 Uiso 1 1 calc R U . . .
H19D H 0.392080 0.672399 0.666037 0.050 Uiso 1 1 calc R U . . .
C191 C 0.51078(19) 0.65156(19) 0.8723(2) 0.0341(9) Uani 1 1 d . . . . .
H19E H 0.502685 0.651568 0.918235 0.051 Uiso 1 1 calc R U . . .
H19F H 0.547222 0.684087 0.874543 0.051 Uiso 1 1 calc R U . . .
H19G H 0.528621 0.609567 0.864849 0.051 Uiso 1 1 calc R U . . .
C220 C 0.8997(2) 0.54559(18) 0.7247(2) 0.0365(10) Uani 1 1 d . . . . .
H22A H 0.858407 0.555489 0.678953 0.055 Uiso 1 1 calc R U . . .
H22B H 0.912959 0.500574 0.724736 0.055 Uiso 1 1 calc R U . . .
H22C H 0.941700 0.572352 0.728659 0.055 Uiso 1 1 calc R U . . .
C221 C 0.95230(19) 0.54323(17) 0.89019(19) 0.0304(9) Uani 1 1 d . . . . .
H22D H 0.992139 0.573294 0.896014 0.046 Uiso 1 1 calc R U . . .
H22E H 0.969227 0.499650 0.887935 0.046 Uiso 1 1 calc R U . . .
H22F H 0.937363 0.547122 0.931989 0.046 Uiso 1 1 calc R U . . .
C230 C 0.70708(18) 0.65259(16) 0.93052(19) 0.0246(8) Uani 1 1 d . . . . .
H23A H 0.704979 0.635388 0.975822 0.037 Uiso 1 1 calc R U . . .
H23B H 0.667834 0.633695 0.888258 0.037 Uiso 1 1 calc R U . . .
H23C H 0.700871 0.698976 0.929625 0.037 Uiso 1 1 calc R U . . .
C231 C 0.86921(19) 0.64036(18) 1.02040(18) 0.0310(9) Uani 1 1 d . . . . .
H23D H 0.869287 0.683922 1.038384 0.047 Uiso 1 1 calc R U . . .
H23E H 0.917280 0.630766 1.019095 0.047 Uiso 1 1 calc R U . . .
H23F H 0.858835 0.610260 1.053172 0.047 Uiso 1 1 calc R U . . .
C240 C 0.80815(19) 0.88845(15) 0.90115(19) 0.0257(8) Uani 1 1 d . . . . .
H24A H 0.844062 0.907169 0.883763 0.038 Uiso 1 1 calc R U . . .
H24B H 0.808783 0.911853 0.944346 0.038 Uiso 1 1 calc R U . . .
H24C H 0.759157 0.891103 0.862338 0.038 Uiso 1 1 calc R U . . .
C241 C 0.92563(19) 0.80151(17) 0.99992(18) 0.0276(8) Uani 1 1 d . . . . .
H24D H 0.959916 0.824093 0.983274 0.041 Uiso 1 1 calc R U . . .
H24E H 0.941594 0.757187 1.011369 0.041 Uiso 1 1 calc R U . . .
H24F H 0.924495 0.822372 1.043890 0.041 Uiso 1 1 calc R U . . .
C250 C 0.61489(19) 0.81549(16) 0.83021(19) 0.0269(8) Uani 1 1 d . . . . .
H25A H 0.578426 0.781744 0.822821 0.040 Uiso 1 1 calc R U . . .
H25B H 0.597923 0.854689 0.845739 0.040 Uiso 1 1 calc R U . . .
H25C H 0.661610 0.802271 0.868067 0.040 Uiso 1 1 calc R U . . .
C251 C 0.53745(19) 0.85334(18) 0.6724(2) 0.0339(9) Uani 1 1 d . . . . .
H25D H 0.543863 0.866114 0.627511 0.051 Uiso 1 1 calc R U . . .
H25E H 0.517167 0.889095 0.690575 0.051 Uiso 1 1 calc R U . . .
H25F H 0.503798 0.817003 0.661996 0.051 Uiso 1 1 calc R U . . .
C260 C 0.7047(2) 0.89688(16) 0.61121(19) 0.0292(9) Uani 1 1 d . . . . .
H26A H 0.671439 0.911050 0.634450 0.044 Uiso 1 1 calc R U . . .
H26B H 0.697222 0.923126 0.567882 0.044 Uiso 1 1 calc R U . . .
H26C H 0.755519 0.901196 0.646001 0.044 Uiso 1 1 calc R U . . .
C261 C 0.59188(18) 0.80932(17) 0.50930(19) 0.0272(8) Uani 1 1 d . . . . .
H26D H 0.575820 0.764898 0.499114 0.041 Uiso 1 1 calc R U . . .
H26E H 0.593069 0.829021 0.464764 0.041 Uiso 1 1 calc R U . . .
H26F H 0.557619 0.832717 0.525276 0.041 Uiso 1 1 calc R U . . .
C270 C 0.81390(18) 0.66554(17) 0.56803(19) 0.0274(8) Uani 1 1 d . . . . .
H27A H 0.815893 0.711718 0.561439 0.041 Uiso 1 1 calc R U . . .
H27B H 0.819928 0.643468 0.526941 0.041 Uiso 1 1 calc R U . . .
H27C H 0.853329 0.652857 0.613953 0.041 Uiso 1 1 calc R U . . .
C271 C 0.65209(19) 0.65549(18) 0.47798(19) 0.0315(9) Uani 1 1 d . . . . .
H27D H 0.603800 0.646186 0.478907 0.047 Uiso 1 1 calc R U . . .
H27E H 0.661473 0.626676 0.443468 0.047 Uiso 1 1 calc R U . . .
H27F H 0.653248 0.699723 0.462463 0.047 Uiso 1 1 calc R U . . .
C280 C 0.6277(2) 0.53852(16) 0.7691(2) 0.0304(9) Uani 1 1 d . . . . .
H28A H 0.671718 0.542485 0.814000 0.046 Uiso 1 1 calc R U . . .
H28B H 0.610309 0.494334 0.763538 0.046 Uiso 1 1 calc R U . . .
H28C H 0.589390 0.566795 0.771999 0.046 Uiso 1 1 calc R U . . .
C281 C 0.56750(19) 0.54861(17) 0.60334(19) 0.0303(9) Uani 1 1 d . . . . .
H28D H 0.528482 0.577784 0.602689 0.045 Uiso 1 1 calc R U . . .
H28E H 0.550578 0.504494 0.601599 0.045 Uiso 1 1 calc R U . . .
H28F H 0.580134 0.556951 0.560737 0.045 Uiso 1 1 calc R U . . .
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'
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'
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
C10 Fe1 C11 40.18(12) . . ?
C10 Fe1 C12 67.64(13) . . ?
C10 Fe1 C13 67.86(13) . . ?
C10 Fe1 C14 40.15(12) . . ?
C10 Fe1 C15 123.40(13) . . ?
C10 Fe1 C16 107.29(13) . . ?
C10 Fe1 C17 122.41(13) . . ?
C10 Fe1 C18 158.22(12) . . ?
C11 Fe1 C18 123.88(13) . . ?
C12 Fe1 C11 40.41(12) . . ?
C12 Fe1 C14 68.53(12) . . ?
C12 Fe1 C15 154.64(13) . . ?
C12 Fe1 C17 127.96(13) . . ?
C12 Fe1 C18 110.12(12) . . ?
C13 Fe1 C11 68.44(12) . . ?
C13 Fe1 C12 40.98(12) . . ?
C13 Fe1 C14 40.82(12) . . ?
C13 Fe1 C15 117.84(12) . . ?
C13 Fe1 C16 152.91(13) . . ?
C13 Fe1 C17 164.05(12) . . ?
C13 Fe1 C18 125.73(13) . . ?
C14 Fe1 C11 68.17(12) . . ?
C14 Fe1 C18 161.13(13) . . ?
C15 Fe1 C11 161.35(13) . . ?
C15 Fe1 C14 104.37(13) . . ?
C15 Fe1 C17 68.49(12) . . ?
C15 Fe1 C18 68.39(12) . . ?
C16 Fe1 C11 126.11(13) . . ?
C16 Fe1 C12 164.06(12) . . ?
C16 Fe1 C14 118.10(12) . . ?
C16 Fe1 C15 40.91(12) . . ?
C16 Fe1 C17 40.79(12) . . ?
C16 Fe1 C18 68.59(12) . . ?
C17 Fe1 C11 110.58(12) . . ?
C17 Fe1 C14 154.81(13) . . ?
C17 Fe1 C18 40.58(12) . . ?
C19 Fe1 C10 159.92(13) . . ?
C19 Fe1 C11 158.02(13) . . ?
C19 Fe1 C12 122.11(13) . . ?
C19 Fe1 C13 107.01(13) . . ?
C19 Fe1 C14 123.35(12) . . ?
C19 Fe1 C15 40.24(12) . . ?
C19 Fe1 C16 67.90(13) . . ?
C19 Fe1 C17 67.58(12) . . ?
C19 Fe1 C18 40.19(12) . . ?
C20 Fe2 C21 40.30(12) . . ?
C20 Fe2 C22 67.55(13) . . ?
C20 Fe2 C23 67.53(12) . . ?
C20 Fe2 C24 40.30(12) . . ?
C20 Fe2 C25 152.25(12) . . ?
C20 Fe2 C26 119.03(13) . . ?
C20 Fe2 C27 108.44(12) . . ?
C20 Fe2 C28 128.10(12) . . ?
C20 Fe2 C29 166.05(12) . . ?
C21 Fe2 C23 68.05(12) . . ?
C21 Fe2 C26 150.50(13) . . ?
C22 Fe2 C21 40.42(12) . . ?
C22 Fe2 C23 40.46(11) . . ?
C22 Fe2 C26 168.61(12) . . ?
C23 Fe2 C26 131.08(12) . . ?
C24 Fe2 C21 68.26(12) . . ?
C24 Fe2 C22 68.13(12) . . ?
C24 Fe2 C23 40.46(12) . . ?
C24 Fe2 C25 119.38(13) . . ?
C24 Fe2 C26 110.19(12) . . ?
C25 Fe2 C21 166.79(13) . . ?
C25 Fe2 C22 129.71(13) . . ?
C25 Fe2 C23 109.98(12) . . ?
C25 Fe2 C26 40.38(12) . . ?
C27 Fe2 C21 116.46(12) . . ?
C27 Fe2 C22 149.43(12) . . ?
C27 Fe2 C23 168.47(13) . . ?
C27 Fe2 C24 129.61(13) . . ?
C27 Fe2 C25 68.18(12) . . ?
C27 Fe2 C26 40.30(11) . . ?
C27 Fe2 C28 40.75(12) . . ?
C28 Fe2 C21 106.41(12) . . ?
C28 Fe2 C22 116.21(12) . . ?
C28 Fe2 C23 150.24(13) . . ?
C28 Fe2 C24 166.85(13) . . ?
C28 Fe2 C25 68.43(12) . . ?
C28 Fe2 C26 68.11(12) . . ?
C29 Fe2 C21 128.08(12) . . ?
C29 Fe2 C22 108.44(13) . . ?
C29 Fe2 C23 118.80(13) . . ?
C29 Fe2 C24 152.24(12) . . ?
C29 Fe2 C25 40.36(12) . . ?
C29 Fe2 C26 67.44(12) . . ?
C29 Fe2 C27 67.74(13) . . ?
C29 Fe2 C28 40.34(12) . . ?
C23 Si1 H1 107.6 . . ?
C23 Si1 C240 118.20(15) . . ?
C23 Si1 C241 108.18(15) . . ?
C240 Si1 H1 107.6 . . ?
C240 Si1 C241 107.28(16) . . ?
C241 Si1 H1 107.6 . . ?
C1 Si2 H2 109.3 . . ?
C1 Si2 C2 107.51(16) . . ?
C1 Si2 C24 111.31(15) . . ?
C2 Si2 H2 109.3 . . ?
C2 Si2 C24 109.96(15) . . ?
C24 Si2 H2 109.3 . . ?
C11 Si12 H12 109.8 . . ?
C120 Si12 H12 109.8 . . ?
C120 Si12 C11 113.81(16) . . ?
C120 Si12 C121 108.70(17) . . ?
C121 Si12 H12 109.8 . . ?
C121 Si12 C11 104.80(16) . . ?
C12 Si13 H13 107.8 . . ?
C130 Si13 H13 107.8 . . ?
C130 Si13 C12 116.71(16) . . ?
C130 Si13 C131 108.01(16) . . ?
C131 Si13 H13 107.8 . . ?
C131 Si13 C12 108.54(15) . . ?
C13 Si14 H14 106.3 . . ?
C140 Si14 H14 106.3 . . ?
C140 Si14 C13 117.64(15) . . ?
C141 Si14 H14 106.3 . . ?
C141 Si14 C13 108.78(15) . . ?
C141 Si14 C140 110.94(17) . . ?
C14 Si15 H15 110.1 . . ?
C150 Si15 H15 110.1 . . ?
C150 Si15 C14 109.94(16) . . ?
C150 Si15 C151 108.66(19) . . ?
C151 Si15 H15 110.1 . . ?
C151 Si15 C14 107.97(17) . . ?
C15 Si16 H16 110.2 . . ?
C15 Si16 C160 108.96(15) . . ?
C160 Si16 H16 110.2 . . ?
C161 Si16 H16 110.2 . . ?
C161 Si16 C15 107.83(16) . . ?
C161 Si16 C160 109.50(18) . . ?
C16 Si17 H17 106.6 . . ?
C170 Si17 H17 106.6 . . ?
C170 Si17 C16 117.48(15) . . ?
C170 Si17 C171 110.20(17) . . ?
C171 Si17 H17 106.6 . . ?
C171 Si17 C16 108.74(16) . . ?
C17 Si18 H18 107.9 . . ?
C180 Si18 H18 107.9 . . ?
C180 Si18 C17 115.96(16) . . ?
C180 Si18 C181 108.27(17) . . ?
C181 Si18 H18 107.9 . . ?
C181 Si18 C17 108.61(15) . . ?
C18 Si19 H19 110.2 . . ?
C18 Si19 C190 112.77(16) . . ?
C18 Si19 C191 104.79(16) . . ?
C190 Si19 H19 110.2 . . ?
C190 Si19 C191 108.68(17) . . ?
C191 Si19 H19 110.2 . . ?
C21 Si22 H22 110.0 . . ?
C220 Si22 H22 110.0 . . ?
C220 Si22 C21 110.60(16) . . ?
C221 Si22 H22 110.0 . . ?
C221 Si22 C21 107.53(15) . . ?
C221 Si22 C220 108.70(17) . . ?
C22 Si23 H23 106.7 . . ?
C230 Si23 H23 106.7 . . ?
C230 Si23 C22 116.97(15) . . ?
C230 Si23 C231 108.43(17) . . ?
C231 Si23 H23 106.7 . . ?
C231 Si23 C22 110.76(15) . . ?
C25 Si24 H24 109.5 . . ?
C250 Si24 H24 109.5 . . ?
C250 Si24 C25 111.14(15) . . ?
C250 Si24 C251 108.04(17) . . ?
C251 Si24 H24 109.5 . . ?
C251 Si24 C25 109.05(16) . . ?
C26 Si25 H25 107.6 . . ?
C26 Si25 C261 108.01(15) . . ?
C260 Si25 H25 107.6 . . ?
C260 Si25 C26 118.81(15) . . ?
C260 Si25 C261 106.64(16) . . ?
C261 Si25 H25 107.6 . . ?
C27 Si26 H26 106.6 . . ?
C270 Si26 H26 106.6 . . ?
C270 Si26 C27 117.10(15) . . ?
C270 Si26 C271 108.01(17) . . ?
C271 Si26 H26 106.6 . . ?
C271 Si26 C27 111.29(15) . . ?
C28 Si27 H27 110.1 . . ?
C280 Si27 H27 110.1 . . ?
C280 Si27 C28 110.72(15) . . ?
C280 Si27 C281 109.17(17) . . ?
C281 Si27 H27 110.1 . . ?
C281 Si27 C28 106.70(15) . . ?
Si2 C1 H1A 109.5 . . ?
Si2 C1 H1B 109.5 . . ?
Si2 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
Si2 C2 H2A 109.5 . . ?
Si2 C2 H2B 109.5 . . ?
Si2 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Fe1 C10 H10 124.6 . . ?
C11 C10 Fe1 71.19(18) . . ?
C11 C10 H10 124.7 . . ?
C14 C10 Fe1 71.10(18) . . ?
C14 C10 H10 124.7 . . ?
C14 C10 C11 110.6(3) . . ?
Si12 C11 Fe1 144.91(18) . . ?
C10 C11 Fe1 68.64(18) . . ?
C10 C11 Si12 120.1(2) . . ?
C10 C11 C12 107.0(3) . . ?
C12 C11 Fe1 69.41(17) . . ?
C12 C11 Si12 128.7(2) . . ?
Si13 C12 Fe1 136.18(17) . . ?
C11 C12 Fe1 70.18(18) . . ?
C11 C12 Si13 126.8(2) . . ?
C11 C12 C13 107.9(3) . . ?
C13 C12 Fe1 69.09(17) . . ?
C13 C12 Si13 124.0(2) . . ?
Si14 C13 Fe1 133.67(17) . . ?
C12 C13 Fe1 69.94(17) . . ?
C12 C13 Si14 128.9(2) . . ?
C14 C13 Fe1 70.30(18) . . ?
C14 C13 Si14 122.3(2) . . ?
C14 C13 C12 107.9(3) . . ?
Si15 C14 Fe1 136.19(17) . . ?
C10 C14 Fe1 68.75(18) . . ?
C10 C14 Si15 122.4(2) . . ?
C10 C14 C13 106.6(3) . . ?
C13 C14 Fe1 68.88(17) . . ?
C13 C14 Si15 130.0(2) . . ?
Si16 C15 Fe1 136.31(18) . . ?
C16 C15 Fe1 69.14(18) . . ?
C16 C15 Si16 130.4(2) . . ?
C19 C15 Fe1 68.67(18) . . ?
C19 C15 Si16 122.0(2) . . ?
C19 C15 C16 106.4(3) . . ?
Si17 C16 Fe1 133.04(17) . . ?
C15 C16 Fe1 69.95(18) . . ?
C15 C16 Si17 122.5(2) . . ?
C17 C16 Fe1 70.08(17) . . ?
C17 C16 Si17 128.9(2) . . ?
C17 C16 C15 107.9(3) . . ?
Si18 C17 Fe1 135.19(17) . . ?
C16 C17 Fe1 69.13(17) . . ?
C16 C17 Si18 124.4(2) . . ?
C16 C17 C18 108.4(3) . . ?
C18 C17 Fe1 70.39(18) . . ?
C18 C17 Si18 126.2(2) . . ?
Si19 C18 Fe1 145.28(18) . . ?
C17 C18 Fe1 69.04(17) . . ?
C17 C18 Si19 129.7(2) . . ?
C19 C18 Fe1 67.94(17) . . ?
C19 C18 Si19 120.0(2) . . ?
C19 C18 C17 106.0(3) . . ?
Fe1 C19 H19A 124.2 . . ?
C15 C19 Fe1 71.09(18) . . ?
C15 C19 C18 111.3(3) . . ?
C15 C19 H19A 124.4 . . ?
C18 C19 Fe1 71.87(18) . . ?
C18 C19 H19A 124.4 . . ?
Fe2 C20 H20 124.6 . . ?
C21 C20 Fe2 71.17(18) . . ?
C21 C20 H20 124.9 . . ?
C24 C20 Fe2 70.92(18) . . ?
C24 C20 H20 124.9 . . ?
C24 C20 C21 110.3(3) . . ?
Si22 C21 Fe2 136.86(17) . . ?
C20 C21 Fe2 68.53(17) . . ?
C20 C21 Si22 124.4(2) . . ?
C20 C21 C22 106.7(3) . . ?
C22 C21 Fe2 69.70(17) . . ?
C22 C21 Si22 127.6(2) . . ?
Si23 C22 Fe2 130.08(16) . . ?
C21 C22 Fe2 69.88(17) . . ?
C21 C22 Si23 122.7(2) . . ?
C21 C22 C23 108.4(3) . . ?
C23 C22 Fe2 70.33(17) . . ?
C23 C22 Si23 128.6(2) . . ?
Si1 C23 Fe2 142.29(17) . . ?
C22 C23 Fe2 69.21(17) . . ?
C22 C23 Si1 122.1(2) . . ?
C24 C23 Fe2 69.05(17) . . ?
C24 C23 Si1 127.4(2) . . ?
C24 C23 C22 107.5(3) . . ?
Si2 C24 Fe2 130.25(17) . . ?
C20 C24 Fe2 68.78(17) . . ?
C20 C24 Si2 124.6(2) . . ?
C20 C24 C23 107.1(3) . . ?
C23 C24 Fe2 70.49(17) . . ?
C23 C24 Si2 128.0(2) . . ?
Si24 C25 Fe2 133.39(17) . . ?
C26 C25 Fe2 70.55(17) . . ?
C26 C25 Si24 128.4(2) . . ?
C29 C25 Fe2 68.68(17) . . ?
C29 C25 Si24 123.9(2) . . ?
C29 C25 C26 106.9(3) . . ?
Si25 C26 Fe2 143.01(17) . . ?
C25 C26 Fe2 69.07(17) . . ?
C25 C26 Si25 127.8(2) . . ?
C27 C26 Fe2 68.83(17) . . ?
C27 C26 Si25 121.3(2) . . ?
C27 C26 C25 107.8(3) . . ?
Si26 C27 Fe2 130.91(16) . . ?
C26 C27 Fe2 70.87(17) . . ?
C26 C27 Si26 129.4(2) . . ?
C26 C27 C28 108.4(3) . . ?
C28 C27 Fe2 69.67(17) . . ?
C28 C27 Si26 121.8(2) . . ?
Si27 C28 Fe2 137.71(17) . . ?
C27 C28 Fe2 69.58(17) . . ?
C27 C28 Si27 128.5(2) . . ?
C29 C28 Fe2 68.92(17) . . ?
C29 C28 Si27 123.3(2) . . ?
C29 C28 C27 106.6(3) . . ?
Fe2 C29 H29 125.0 . . ?
C25 C29 Fe2 70.96(18) . . ?
C25 C29 H29 124.9 . . ?
C28 C29 Fe2 70.74(18) . . ?
C28 C29 C25 110.2(3) . . ?
C28 C29 H29 124.9 . . ?
Si12 C120 H12A 109.5 . . ?
Si12 C120 H12B 109.5 . . ?
Si12 C120 H12C 109.5 . . ?
H12A C120 H12B 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
Si12 C121 H12D 109.5 . . ?
Si12 C121 H12E 109.5 . . ?
Si12 C121 H12F 109.5 . . ?
H12D C121 H12E 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
Si13 C130 H13A 109.5 . . ?
Si13 C130 H13B 109.5 . . ?
Si13 C130 H13C 109.5 . . ?
H13A C130 H13B 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
Si13 C131 H13D 109.5 . . ?
Si13 C131 H13E 109.5 . . ?
Si13 C131 H13F 109.5 . . ?
H13D C131 H13E 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
Si14 C140 H14A 109.5 . . ?
Si14 C140 H14B 109.5 . . ?
Si14 C140 H14C 109.5 . . ?
H14A C140 H14B 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
Si14 C141 H14D 109.5 . . ?
Si14 C141 H14E 109.5 . . ?
Si14 C141 H14F 109.5 . . ?
H14D C141 H14E 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
Si15 C150 H15A 109.5 . . ?
Si15 C150 H15B 109.5 . . ?
Si15 C150 H15C 109.5 . . ?
H15A C150 H15B 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
Si15 C151 H15D 109.5 . . ?
Si15 C151 H15E 109.5 . . ?
Si15 C151 H15F 109.5 . . ?
H15D C151 H15E 109.5 . . ?
H15D C151 H15F 109.5 . . ?
H15E C151 H15F 109.5 . . ?
Si16 C160 H16A 109.5 . . ?
Si16 C160 H16B 109.5 . . ?
Si16 C160 H16C 109.5 . . ?
H16A C160 H16B 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
Si16 C161 H16D 109.5 . . ?
Si16 C161 H16E 109.5 . . ?
Si16 C161 H16F 109.5 . . ?
H16D C161 H16E 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
Si17 C170 H17A 109.5 . . ?
Si17 C170 H17B 109.5 . . ?
Si17 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
Si17 C171 H17D 109.5 . . ?
Si17 C171 H17E 109.5 . . ?
Si17 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
Si18 C180 H18A 109.5 . . ?
Si18 C180 H18B 109.5 . . ?
Si18 C180 H18C 109.5 . . ?
H18A C180 H18B 109.5 . . ?
H18A C180 H18C 109.5 . . ?
H18B C180 H18C 109.5 . . ?
Si18 C181 H18D 109.5 . . ?
Si18 C181 H18E 109.5 . . ?
Si18 C181 H18F 109.5 . . ?
H18D C181 H18E 109.5 . . ?
H18D C181 H18F 109.5 . . ?
H18E C181 H18F 109.5 . . ?
Si19 C190 H19B 109.5 . . ?
Si19 C190 H19C 109.5 . . ?
Si19 C190 H19D 109.5 . . ?
H19B C190 H19C 109.5 . . ?
H19B C190 H19D 109.5 . . ?
H19C C190 H19D 109.5 . . ?
Si19 C191 H19E 109.5 . . ?
Si19 C191 H19F 109.5 . . ?
Si19 C191 H19G 109.5 . . ?
H19E C191 H19F 109.5 . . ?
H19E C191 H19G 109.5 . . ?
H19F C191 H19G 109.5 . . ?
Si22 C220 H22A 109.5 . . ?
Si22 C220 H22B 109.5 . . ?
Si22 C220 H22C 109.5 . . ?
H22A C220 H22B 109.5 . . ?
H22A C220 H22C 109.5 . . ?
H22B C220 H22C 109.5 . . ?
Si22 C221 H22D 109.5 . . ?
Si22 C221 H22E 109.5 . . ?
Si22 C221 H22F 109.5 . . ?
H22D C221 H22E 109.5 . . ?
H22D C221 H22F 109.5 . . ?
H22E C221 H22F 109.5 . . ?
Si23 C230 H23A 109.5 . . ?
Si23 C230 H23B 109.5 . . ?
Si23 C230 H23C 109.5 . . ?
H23A C230 H23B 109.5 . . ?
H23A C230 H23C 109.5 . . ?
H23B C230 H23C 109.5 . . ?
Si23 C231 H23D 109.5 . . ?
Si23 C231 H23E 109.5 . . ?
Si23 C231 H23F 109.5 . . ?
H23D C231 H23E 109.5 . . ?
H23D C231 H23F 109.5 . . ?
H23E C231 H23F 109.5 . . ?
Si1 C240 H24A 109.5 . . ?
Si1 C240 H24B 109.5 . . ?
Si1 C240 H24C 109.5 . . ?
H24A C240 H24B 109.5 . . ?
H24A C240 H24C 109.5 . . ?
H24B C240 H24C 109.5 . . ?
Si1 C241 H24D 109.5 . . ?
Si1 C241 H24E 109.5 . . ?
Si1 C241 H24F 109.5 . . ?
H24D C241 H24E 109.5 . . ?
H24D C241 H24F 109.5 . . ?
H24E C241 H24F 109.5 . . ?
Si24 C250 H25A 109.5 . . ?
Si24 C250 H25B 109.5 . . ?
Si24 C250 H25C 109.5 . . ?
H25A C250 H25B 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
Si24 C251 H25D 109.5 . . ?
Si24 C251 H25E 109.5 . . ?
Si24 C251 H25F 109.5 . . ?
H25D C251 H25E 109.5 . . ?
H25D C251 H25F 109.5 . . ?
H25E C251 H25F 109.5 . . ?
Si25 C260 H26A 109.5 . . ?
Si25 C260 H26B 109.5 . . ?
Si25 C260 H26C 109.5 . . ?
H26A C260 H26B 109.5 . . ?
H26A C260 H26C 109.5 . . ?
H26B C260 H26C 109.5 . . ?
Si25 C261 H26D 109.5 . . ?
Si25 C261 H26E 109.5 . . ?
Si25 C261 H26F 109.5 . . ?
H26D C261 H26E 109.5 . . ?
H26D C261 H26F 109.5 . . ?
H26E C261 H26F 109.5 . . ?
Si26 C270 H27A 109.5 . . ?
Si26 C270 H27B 109.5 . . ?
Si26 C270 H27C 109.5 . . ?
H27A C270 H27B 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
Si26 C271 H27D 109.5 . . ?
Si26 C271 H27E 109.5 . . ?
Si26 C271 H27F 109.5 . . ?
H27D C271 H27E 109.5 . . ?
H27D C271 H27F 109.5 . . ?
H27E C271 H27F 109.5 . . ?
Si27 C280 H28A 109.5 . . ?
Si27 C280 H28B 109.5 . . ?
Si27 C280 H28C 109.5 . . ?
H28A C280 H28B 109.5 . . ?
H28A C280 H28C 109.5 . . ?
H28B C280 H28C 109.5 . . ?
Si27 C281 H28D 109.5 . . ?
Si27 C281 H28E 109.5 . . ?
Si27 C281 H28F 109.5 . . ?
H28D C281 H28E 109.5 . . ?
H28D C281 H28F 109.5 . . ?
H28E C281 H28F 109.5 . . ?
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 C10 2.057(3) . ?
Fe1 C11 2.091(3) . ?
Fe1 C12 2.081(3) . ?
Fe1 C13 2.069(3) . ?
Fe1 C14 2.088(3) . ?
Fe1 C15 2.084(3) . ?
Fe1 C16 2.073(3) . ?
Fe1 C17 2.086(3) . ?
Fe1 C18 2.104(3) . ?
Fe1 C19 2.052(3) . ?
Fe2 C20 2.060(3) . ?
Fe2 C21 2.095(3) . ?
Fe2 C22 2.093(3) . ?
Fe2 C23 2.108(3) . ?
Fe2 C24 2.089(3) . ?
Fe2 C25 2.093(3) . ?
Fe2 C26 2.113(3) . ?
Fe2 C27 2.086(3) . ?
Fe2 C28 2.087(3) . ?
Fe2 C29 2.063(3) . ?
Si1 H1 1.0000 . ?
Si1 C23 1.865(3) . ?
Si1 C240 1.866(3) . ?
Si1 C241 1.871(3) . ?
Si2 H2 1.0000 . ?
Si2 C1 1.856(3) . ?
Si2 C2 1.861(3) . ?
Si2 C24 1.864(3) . ?
Si12 H12 1.0000 . ?
Si12 C11 1.863(3) . ?
Si12 C120 1.857(4) . ?
Si12 C121 1.859(4) . ?
Si13 H13 1.0000 . ?
Si13 C12 1.866(3) . ?
Si13 C130 1.854(3) . ?
Si13 C131 1.865(3) . ?
Si14 H14 1.0000 . ?
Si14 C13 1.869(3) . ?
Si14 C140 1.867(3) . ?
Si14 C141 1.862(4) . ?
Si15 H15 1.0000 . ?
Si15 C14 1.867(3) . ?
Si15 C150 1.863(4) . ?
Si15 C151 1.865(4) . ?
Si16 H16 1.0000 . ?
Si16 C15 1.865(3) . ?
Si16 C160 1.866(4) . ?
Si16 C161 1.860(4) . ?
Si17 H17 1.0000 . ?
Si17 C16 1.871(3) . ?
Si17 C170 1.862(3) . ?
Si17 C171 1.865(4) . ?
Si18 H18 1.0000 . ?
Si18 C17 1.868(3) . ?
Si18 C180 1.858(3) . ?
Si18 C181 1.862(3) . ?
Si19 H19 1.0000 . ?
Si19 C18 1.852(3) . ?
Si19 C190 1.859(4) . ?
Si19 C191 1.865(4) . ?
Si22 H22 1.0000 . ?
Si22 C21 1.873(3) . ?
Si22 C220 1.864(4) . ?
Si22 C221 1.863(3) . ?
Si23 H23 1.0000 . ?
Si23 C22 1.878(3) . ?
Si23 C230 1.861(3) . ?
Si23 C231 1.863(3) . ?
Si24 H24 1.0000 . ?
Si24 C25 1.861(3) . ?
Si24 C250 1.857(3) . ?
Si24 C251 1.858(3) . ?
Si25 H25 1.0000 . ?
Si25 C26 1.869(3) . ?
Si25 C260 1.863(3) . ?
Si25 C261 1.871(3) . ?
Si26 H26 1.0000 . ?
Si26 C27 1.880(3) . ?
Si26 C270 1.860(3) . ?
Si26 C271 1.864(3) . ?
Si27 H27 1.0000 . ?
Si27 C28 1.878(3) . ?
Si27 C280 1.857(4) . ?
Si27 C281 1.864(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.425(4) . ?
C10 C14 1.423(4) . ?
C11 C12 1.441(4) . ?
C12 C13 1.453(4) . ?
C13 C14 1.450(4) . ?
C15 C16 1.453(4) . ?
C15 C19 1.423(4) . ?
C16 C17 1.449(4) . ?
C17 C18 1.453(4) . ?
C18 C19 1.429(4) . ?
C19 H19A 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.432(4) . ?
C20 C24 1.429(4) . ?
C21 C22 1.447(4) . ?
C22 C23 1.453(4) . ?
C23 C24 1.451(4) . ?
C25 C26 1.452(4) . ?
C25 C29 1.434(4) . ?
C26 C27 1.447(4) . ?
C27 C28 1.453(4) . ?
C28 C29 1.431(4) . ?
C29 H29 0.9500 . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C151 H15F 0.9800 . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C180 H18A 0.9800 . ?
C180 H18B 0.9800 . ?
C180 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C190 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C191 H19G 0.9800 . ?
C220 H22A 0.9800 . ?
C220 H22B 0.9800 . ?
C220 H22C 0.9800 . ?
C221 H22D 0.9800 . ?
C221 H22E 0.9800 . ?
C221 H22F 0.9800 . ?
C230 H23A 0.9800 . ?
C230 H23B 0.9800 . ?
C230 H23C 0.9800 . ?
C231 H23D 0.9800 . ?
C231 H23E 0.9800 . ?
C231 H23F 0.9800 . ?
C240 H24A 0.9800 . ?
C240 H24B 0.9800 . ?
C240 H24C 0.9800 . ?
C241 H24D 0.9800 . ?
C241 H24E 0.9800 . ?
C241 H24F 0.9800 . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C251 H25F 0.9800 . ?
C260 H26A 0.9800 . ?
C260 H26B 0.9800 . ?
C260 H26C 0.9800 . ?
C261 H26D 0.9800 . ?
C261 H26E 0.9800 . ?
C261 H26F 0.9800 . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
C271 H27D 0.9800 . ?
C271 H27E 0.9800 . ?
C271 H27F 0.9800 . ?
C280 H28A 0.9800 . ?
C280 H28B 0.9800 . ?
C280 H28C 0.9800 . ?
C281 H28D 0.9800 . ?
C281 H28E 0.9800 . ?
C281 H28F 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 C10 C11 Si12 -142.1(2) . . . . ?
Fe1 C10 C11 C12 59.1(2) . . . . ?
Fe1 C10 C14 Si15 132.1(2) . . . . ?
Fe1 C10 C14 C13 -58.7(2) . . . . ?
Fe1 C11 C12 Si13 -133.5(3) . . . . ?
Fe1 C11 C12 C13 59.0(2) . . . . ?
Fe1 C12 C13 Si14 -130.5(3) . . . . ?
Fe1 C12 C13 C14 60.3(2) . . . . ?
Fe1 C13 C14 Si15 -133.3(3) . . . . ?
Fe1 C13 C14 C10 58.7(2) . . . . ?
Fe1 C15 C16 Si17 129.0(2) . . . . ?
Fe1 C15 C16 C17 -60.1(2) . . . . ?
Fe1 C15 C19 C18 60.9(2) . . . . ?
Fe1 C16 C17 Si18 131.2(2) . . . . ?
Fe1 C16 C17 C18 -59.7(2) . . . . ?
Fe1 C17 C18 Si19 145.7(3) . . . . ?
Fe1 C17 C18 C19 -58.1(2) . . . . ?
Fe1 C18 C19 C15 -60.4(2) . . . . ?
Fe2 C20 C21 Si22 132.9(2) . . . . ?
Fe2 C20 C21 C22 -59.5(2) . . . . ?
Fe2 C20 C24 Si2 -125.0(2) . . . . ?
Fe2 C20 C24 C23 60.4(2) . . . . ?
Fe2 C21 C22 Si23 125.4(2) . . . . ?
Fe2 C21 C22 C23 -60.0(2) . . . . ?
Fe2 C22 C23 Si1 139.5(2) . . . . ?
Fe2 C22 C23 C24 -58.6(2) . . . . ?
Fe2 C23 C24 Si2 126.4(3) . . . . ?
Fe2 C23 C24 C20 -59.3(2) . . . . ?
Fe2 C25 C26 Si25 -141.8(3) . . . . ?
Fe2 C25 C26 C27 58.1(2) . . . . ?
Fe2 C25 C29 C28 -60.1(2) . . . . ?
Fe2 C26 C27 Si26 -127.7(3) . . . . ?
Fe2 C26 C27 C28 59.8(2) . . . . ?
Fe2 C27 C28 Si27 -135.4(3) . . . . ?
Fe2 C27 C28 C29 59.3(2) . . . . ?
Fe2 C28 C29 C25 60.2(2) . . . . ?
Si1 C23 C24 Fe2 -140.7(3) . . . . ?
Si1 C23 C24 Si2 -14.3(4) . . . . ?
Si1 C23 C24 C20 160.0(2) . . . . ?
Si12 C11 C12 Fe1 145.0(3) . . . . ?
Si12 C11 C12 Si13 11.5(4) . . . . ?
Si12 C11 C12 C13 -156.0(2) . . . . ?
Si13 C12 C13 Fe1 132.4(2) . . . . ?
Si13 C12 C13 Si14 1.8(4) . . . . ?
Si13 C12 C13 C14 -167.3(2) . . . . ?
Si14 C13 C14 Fe1 129.9(2) . . . . ?
Si14 C13 C14 Si15 -3.4(4) . . . . ?
Si14 C13 C14 C10 -171.5(2) . . . . ?
Si16 C15 C16 Fe1 -133.8(3) . . . . ?
Si16 C15 C16 Si17 -4.8(4) . . . . ?
Si16 C15 C16 C17 166.2(2) . . . . ?
Si16 C15 C19 Fe1 132.2(2) . . . . ?
Si16 C15 C19 C18 -166.9(2) . . . . ?
Si17 C16 C17 Fe1 -129.8(3) . . . . ?
Si17 C16 C17 Si18 1.4(4) . . . . ?
Si17 C16 C17 C18 170.5(2) . . . . ?
Si18 C17 C18 Fe1 -132.3(2) . . . . ?
Si18 C17 C18 Si19 13.4(4) . . . . ?
Si18 C17 C18 C19 169.6(2) . . . . ?
Si19 C18 C19 Fe1 -142.2(2) . . . . ?
Si19 C18 C19 C15 157.4(2) . . . . ?
Si22 C21 C22 Fe2 -134.2(3) . . . . ?
Si22 C21 C22 Si23 -8.8(4) . . . . ?
Si22 C21 C22 C23 165.8(2) . . . . ?
Si23 C22 C23 Fe2 -126.1(3) . . . . ?
Si23 C22 C23 Si1 13.4(4) . . . . ?
Si23 C22 C23 C24 175.3(2) . . . . ?
Si24 C25 C26 Fe2 130.5(3) . . . . ?
Si24 C25 C26 Si25 -11.2(4) . . . . ?
Si24 C25 C26 C27 -171.4(2) . . . . ?
Si24 C25 C29 Fe2 -128.8(2) . . . . ?
Si24 C25 C29 C28 171.2(2) . . . . ?
Si25 C26 C27 Fe2 140.1(2) . . . . ?
Si25 C26 C27 Si26 12.3(4) . . . . ?
Si25 C26 C27 C28 -160.1(2) . . . . ?
Si26 C27 C28 Fe2 126.3(2) . . . . ?
Si26 C27 C28 Si27 -9.1(4) . . . . ?
Si26 C27 C28 C29 -174.4(2) . . . . ?
Si27 C28 C29 Fe2 134.0(2) . . . . ?
Si27 C28 C29 C25 -165.8(2) . . . . ?
C1 Si2 C24 Fe2 -72.2(2) . . . . ?
C1 Si2 C24 C20 18.3(3) . . . . ?
C1 Si2 C24 C23 -168.3(3) . . . . ?
C2 Si2 C24 Fe2 168.8(2) . . . . ?
C2 Si2 C24 C20 -100.8(3) . . . . ?
C2 Si2 C24 C23 72.6(3) . . . . ?
C10 C11 C12 Fe1 -58.6(2) . . . . ?
C10 C11 C12 Si13 167.9(2) . . . . ?
C10 C11 C12 C13 0.4(3) . . . . ?
C11 C10 C14 Fe1 60.5(2) . . . . ?
C11 C10 C14 Si15 -167.4(2) . . . . ?
C11 C10 C14 C13 1.7(4) . . . . ?
C11 C12 C13 Fe1 -59.7(2) . . . . ?
C11 C12 C13 Si14 169.8(2) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C12 C13 C14 Fe1 -60.1(2) . . . . ?
C12 C13 C14 Si15 166.6(2) . . . . ?
C12 C13 C14 C10 -1.4(3) . . . . ?
C14 C10 C11 Fe1 -60.4(2) . . . . ?
C14 C10 C11 Si12 157.5(2) . . . . ?
C14 C10 C11 C12 -1.3(4) . . . . ?
C15 C16 C17 Fe1 60.0(2) . . . . ?
C15 C16 C17 Si18 -168.8(2) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C16 C15 C19 Fe1 -59.1(2) . . . . ?
C16 C15 C19 C18 1.8(4) . . . . ?
C16 C17 C18 Fe1 58.9(2) . . . . ?
C16 C17 C18 Si19 -155.4(2) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
C17 C18 C19 Fe1 58.8(2) . . . . ?
C17 C18 C19 C15 -1.6(4) . . . . ?
C19 C15 C16 Fe1 58.8(2) . . . . ?
C19 C15 C16 Si17 -172.3(2) . . . . ?
C19 C15 C16 C17 -1.3(4) . . . . ?
C20 C21 C22 Fe2 58.8(2) . . . . ?
C20 C21 C22 Si23 -175.8(2) . . . . ?
C20 C21 C22 C23 -1.2(3) . . . . ?
C21 C20 C24 Fe2 -60.5(2) . . . . ?
C21 C20 C24 Si2 174.4(2) . . . . ?
C21 C20 C24 C23 -0.2(4) . . . . ?
C21 C22 C23 Fe2 59.7(2) . . . . ?
C21 C22 C23 Si1 -160.7(2) . . . . ?
C21 C22 C23 C24 1.1(3) . . . . ?
C22 C23 C24 Fe2 58.7(2) . . . . ?
C22 C23 C24 Si2 -174.9(2) . . . . ?
C22 C23 C24 C20 -0.6(3) . . . . ?
C24 C20 C21 Fe2 60.4(2) . . . . ?
C24 C20 C21 Si22 -166.7(2) . . . . ?
C24 C20 C21 C22 0.9(4) . . . . ?
C25 C26 C27 Fe2 -58.2(2) . . . . ?
C25 C26 C27 Si26 174.1(2) . . . . ?
C25 C26 C27 C28 1.6(3) . . . . ?
C26 C25 C29 Fe2 60.5(2) . . . . ?
C26 C25 C29 C28 0.5(3) . . . . ?
C26 C27 C28 Fe2 -60.5(2) . . . . ?
C26 C27 C28 Si27 164.0(2) . . . . ?
C26 C27 C28 C29 -1.3(3) . . . . ?
C27 C28 C29 Fe2 -59.7(2) . . . . ?
C27 C28 C29 C25 0.5(3) . . . . ?
C29 C25 C26 Fe2 -59.3(2) . . . . ?
C29 C25 C26 Si25 158.9(2) . . . . ?
C29 C25 C26 C27 -1.3(3) . . . . ?
C120 Si12 C11 Fe1 -48.4(4) . . . . ?
C120 Si12 C11 C10 47.0(3) . . . . ?
C120 Si12 C11 C12 -159.2(3) . . . . ?
C121 Si12 C11 Fe1 -167.0(3) . . . . ?
C121 Si12 C11 C10 -71.6(3) . . . . ?
C121 Si12 C11 C12 82.2(3) . . . . ?
C130 Si13 C12 Fe1 -46.1(3) . . . . ?
C130 Si13 C12 C11 53.6(3) . . . . ?
C130 Si13 C12 C13 -140.8(3) . . . . ?
C131 Si13 C12 Fe1 -168.3(2) . . . . ?
C131 Si13 C12 C11 -68.7(3) . . . . ?
C131 Si13 C12 C13 97.0(3) . . . . ?
C140 Si14 C13 Fe1 -34.0(3) . . . . ?
C140 Si14 C13 C12 65.2(3) . . . . ?
C140 Si14 C13 C14 -127.0(3) . . . . ?
C141 Si14 C13 Fe1 -161.2(2) . . . . ?
C141 Si14 C13 C12 -62.0(3) . . . . ?
C141 Si14 C13 C14 105.8(3) . . . . ?
C150 Si15 C14 Fe1 72.7(3) . . . . ?
C150 Si15 C14 C10 -19.6(3) . . . . ?
C150 Si15 C14 C13 173.9(3) . . . . ?
C151 Si15 C14 Fe1 -168.9(3) . . . . ?
C151 Si15 C14 C10 98.8(3) . . . . ?
C151 Si15 C14 C13 -67.7(3) . . . . ?
C160 Si16 C15 Fe1 72.5(3) . . . . ?
C160 Si16 C15 C16 174.9(3) . . . . ?
C160 Si16 C15 C19 -19.4(3) . . . . ?
C161 Si16 C15 Fe1 -168.7(2) . . . . ?
C161 Si16 C15 C16 -66.4(3) . . . . ?
C161 Si16 C15 C19 99.4(3) . . . . ?
C170 Si17 C16 Fe1 -34.4(3) . . . . ?
C170 Si17 C16 C15 -126.7(3) . . . . ?
C170 Si17 C16 C17 64.4(3) . . . . ?
C171 Si17 C16 Fe1 -160.4(2) . . . . ?
C171 Si17 C16 C15 107.4(3) . . . . ?
C171 Si17 C16 C17 -61.6(3) . . . . ?
C180 Si18 C17 Fe1 -48.8(3) . . . . ?
C180 Si18 C17 C16 -143.2(3) . . . . ?
C180 Si18 C17 C18 49.7(3) . . . . ?
C181 Si18 C17 Fe1 -170.9(2) . . . . ?
C181 Si18 C17 C16 94.7(3) . . . . ?
C181 Si18 C17 C18 -72.5(3) . . . . ?
C190 Si19 C18 Fe1 -49.7(4) . . . . ?
C190 Si19 C18 C17 -162.2(3) . . . . ?
C190 Si19 C18 C19 44.4(3) . . . . ?
C191 Si19 C18 Fe1 -167.7(3) . . . . ?
C191 Si19 C18 C17 79.8(3) . . . . ?
C191 Si19 C18 C19 -73.6(3) . . . . ?
C220 Si22 C21 Fe2 77.6(3) . . . . ?
C220 Si22 C21 C20 -17.1(3) . . . . ?
C220 Si22 C21 C22 178.0(3) . . . . ?
C221 Si22 C21 Fe2 -163.9(2) . . . . ?
C221 Si22 C21 C20 101.4(3) . . . . ?
C221 Si22 C21 C22 -63.4(3) . . . . ?
C230 Si23 C22 Fe2 -39.2(3) . . . . ?
C230 Si23 C22 C21 -129.6(3) . . . . ?
C230 Si23 C22 C23 57.0(3) . . . . ?
C231 Si23 C22 Fe2 -164.1(2) . . . . ?
C231 Si23 C22 C21 105.5(3) . . . . ?
C231 Si23 C22 C23 -67.9(3) . . . . ?
C240 Si1 C23 Fe2 -62.0(3) . . . . ?
C240 Si1 C23 C22 -159.3(2) . . . . ?
C240 Si1 C23 C24 42.7(3) . . . . ?
C241 Si1 C23 Fe2 175.9(3) . . . . ?
C241 Si1 C23 C22 78.6(3) . . . . ?
C241 Si1 C23 C24 -79.4(3) . . . . ?
C250 Si24 C25 Fe2 -69.3(3) . . . . ?
C250 Si24 C25 C26 -168.9(3) . . . . ?
C250 Si24 C25 C29 22.5(3) . . . . ?
C251 Si24 C25 Fe2 171.7(2) . . . . ?
C251 Si24 C25 C26 72.2(3) . . . . ?
C251 Si24 C25 C29 -96.5(3) . . . . ?
C260 Si25 C26 Fe2 -64.4(3) . . . . ?
C260 Si25 C26 C25 41.8(3) . . . . ?
C260 Si25 C26 C27 -160.5(2) . . . . ?
C261 Si25 C26 Fe2 174.1(3) . . . . ?
C261 Si25 C26 C25 -79.7(3) . . . . ?
C261 Si25 C26 C27 78.1(3) . . . . ?
C270 Si26 C27 Fe2 -39.4(3) . . . . ?
C270 Si26 C27 C26 59.2(3) . . . . ?
C270 Si26 C27 C28 -129.2(3) . . . . ?
C271 Si26 C27 Fe2 -164.3(2) . . . . ?
C271 Si26 C27 C26 -65.7(3) . . . . ?
C271 Si26 C27 C28 105.9(3) . . . . ?
C280 Si27 C28 Fe2 73.9(3) . . . . ?
C280 Si27 C28 C27 176.0(3) . . . . ?
C280 Si27 C28 C29 -20.8(3) . . . . ?
C281 Si27 C28 Fe2 -167.5(2) . . . . ?
C281 Si27 C28 C27 -65.3(3) . . . . ?
C281 Si27 C28 C29 97.9(3) . . . . ?
