# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_Sonia1_3
_database_code_depnum_ccdc_archive 'CCDC 2105207'
loop_
_audit_author_name
_audit_author_address
'Josefina Perles'
;Universidad Autonoma de Madrid
Spain
;
_audit_update_record             
;
2021-08-24 deposited with the CCDC.	2023-03-16 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            3
_chemical_formula_moiety         ?
_chemical_formula_sum            'C73 H72 Fe6 Si3'
_chemical_formula_iupac          ?
_chemical_formula_weight         1368.67

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   20.1982(4)
_cell_length_b                   12.5410(2)
_cell_length_c                   24.6180(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.5460(10)
_cell_angle_gamma                90
_cell_volume                     6206.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8552
_cell_measurement_theta_min      2.4938
_cell_measurement_theta_max      22.4764
_cell_measurement_temperature    296.(2)

_exptl_crystal_description       prismatic
_exptl_crystal_colour            'clear intense orange'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.080
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2832

_exptl_absorpt_coefficient_mu    1.466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_correction_T_min  0.6160
_exptl_absorpt_correction_T_max  0.7452

_exptl_special_details           
;
;

_diffrn_ambient_temperature      296.(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            53353
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_theta_min         1.37
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_full        25.40
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29

_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.
;

_reflns_number_total             11423
_reflns_number_gt                7071
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.1128
_refine_ls_R_factor_gt           0.0620
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1851
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_restrained_S_all      1.022
_refine_ls_number_reflns         11423
_refine_ls_number_parameters     730
_refine_ls_number_restraints     5
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0826P)²+12.7017P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         2.533
_refine_diff_density_min         -1.612
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.0986(3) 0.2200(4) -0.1412(2) 0.0420(13) Uani d . . . 1 . .
C C2 0.0373(3) 0.2585(5) -0.1682(2) 0.0540(16) Uani d . . . 1 . .
H H2 0.006624 0.300372 -0.151962 0.065 Uiso calc U . R 1 . .
C C3 0.0302(4) 0.2238(5) -0.2227(3) 0.0659(19) Uani d . . . 1 . .
H H3 -0.005586 0.237649 -0.248357 0.079 Uiso calc U . R 1 . .
C C4 0.0871(4) 0.1643(5) -0.2312(2) 0.0624(18) Uani d . . . 1 . .
H H4 0.095813 0.132989 -0.263985 0.075 Uiso calc U . R 1 . .
C C5 0.1291(3) 0.1599(5) -0.1815(2) 0.0528(15) Uani d . . . 1 . .
H H5 0.169539 0.124069 -0.176078 0.063 Uiso calc U . R 1 . .
C C6 -0.0420(5) 0.0422(8) -0.1374(6) 0.117(4) Uani d . . . 1 . .
H H6 -0.072571 0.085783 -0.122295 0.141 Uiso calc U . R 1 . .
C C7 -0.0447(7) 0.0078(13) -0.1914(6) 0.145(7) Uani d . . . 1 . .
H H7 -0.078726 0.022333 -0.21858 0.174 Uiso calc U . R 1 . .
C C8 0.0104(9) -0.0504(9) -0.1976(5) 0.130(5) Uani d . . . 1 . .
H H8 0.021513 -0.079881 -0.230136 0.155 Uiso calc U . R 1 . .
C C9 0.0472(5) -0.0588(6) -0.1481(4) 0.088(3) Uani d . . . 1 . .
H H9 0.08661 -0.096838 -0.141173 0.105 Uiso calc U . R 1 . .
C C10 0.0162(5) -0.0020(6) -0.1104(3) 0.077(2) Uani d . . . 1 . .
H H10 0.030836 0.00603 -0.073623 0.093 Uiso calc U . R 1 . .
C C11 0.1586(3) 0.4007(4) -0.0744(2) 0.0494(15) Uani d . . . 1 . .
C C12 0.1298(3) 0.4791(5) -0.1120(3) 0.0590(17) Uani d . . . 1 . .
H H12 0.096112 0.466497 -0.139705 0.071 Uiso calc U . R 1 . .
C C13 0.1608(5) 0.5782(5) -0.1002(4) 0.083(3) Uani d . . . 1 . .
H H13 0.15169 0.6415 -0.119181 0.099 Uiso calc U . R 1 . .
C C14 0.2067(5) 0.5651(6) -0.0561(4) 0.089(3) Uani d . . . 1 . .
H H14 0.233386 0.618581 -0.039492 0.106 Uiso calc U . R 1 . .
C C15 0.2068(4) 0.4566(6) -0.0396(3) 0.077(2) Uani d . . . 1 . .
H H15 0.234012 0.427093 -0.01084 0.092 Uiso calc U . R 1 . .
C C16 0.2636(6) 0.3582(9) -0.1682(5) 0.109(4) Uani d . . . 1 . .
H H16 0.244559 0.29172 -0.175903 0.131 Uiso calc U . R 1 . .
C C17 0.2453(6) 0.4634(17) -0.1978(4) 0.160(6) Uani d . . . 1 . .
H H17 0.21374 0.478729 -0.22678 0.192 Uiso calc U . R 1 . .
C C18 0.2939(6) 0.5325(9) -0.1658(5) 0.101(3) Uani d . . . 1 . .
H H18 0.29921 0.605002 -0.171971 0.122 Uiso calc U . R 1 . .
C C19 0.3281(6) 0.4782(12) -0.1278(7) 0.141(5) Uani d . . . 1 . .
H H19 0.360494 0.507211 -0.102637 0.169 Uiso calc U . R 1 . .
C C20 0.3116(6) 0.3807(9) -0.1294(7) 0.136(5) Uani d . . . 1 . .
H H20 0.331402 0.329743 -0.105633 0.164 Uiso calc U . R 1 . .
C C21 0.0597(3) 0.2622(4) -0.0282(2) 0.0415(13) Uani d . . . 1 . .
C C22 0.0194(3) 0.3562(5) -0.0242(2) 0.0482(15) Uani d . . . 1 . .
H H22 0.026486 0.42166 -0.040393 0.058 Uiso calc U . R 1 . .
C C23 -0.0331(3) 0.3323(5) 0.0086(3) 0.0583(17) Uani d . . . 1 . .
H H23 -0.066126 0.379361 0.017225 0.07 Uiso calc U . R 1 . .
C C24 -0.0265(3) 0.2255(5) 0.0256(2) 0.0575(17) Uani d . . . 1 . .
H H24 -0.054108 0.189777 0.047738 0.069 Uiso calc U . R 1 . .
C C25 0.0300(3) 0.1814(5) 0.0030(2) 0.0483(15) Uani d . . . 1 . .
H H25 0.045221 0.111701 0.007785 0.058 Uiso calc U . R 1 . .
C C26 0.1522(4) 0.3323(10) 0.0850(3) 0.092(3) Uani d . . . 1 . .
H H26 0.190142 0.323269 0.066791 0.111 Uiso calc U . R 1 . .
C C27 0.1156(6) 0.4253(7) 0.0876(3) 0.092(3) Uani d . . . 1 . .
H H27 0.125117 0.490121 0.071752 0.11 Uiso calc U . R 1 . .
C C28 0.0618(5) 0.4054(7) 0.1182(3) 0.084(2) Uani d . . . 1 . .
H H28 0.029084 0.453749 0.126032 0.101 Uiso calc U . R 1 . .
C C29 0.0667(6) 0.3006(8) 0.1345(3) 0.096(3) Uani d . . . 1 . .
H H29 0.03761 0.265785 0.15563 0.116 Uiso calc U . R 1 . .
C C30 0.1219(7) 0.2552(8) 0.1143(4) 0.108(4) Uani d . . . 1 . .
H H30 0.136158 0.185124 0.119636 0.13 Uiso calc U . R 1 . .
C C31 0.4699(3) 0.1701(5) 0.1032(2) 0.0467(14) Uani d . . . 1 . .
C C32 0.5258(4) 0.2144(6) 0.1335(3) 0.071(2) Uani d . . . 1 . .
H H32 0.535477 0.208067 0.171068 0.086 Uiso calc U . R 1 . .
C C33 0.5655(4) 0.2706(7) 0.0981(4) 0.091(3) Uani d . . . 1 . .
H H33 0.604624 0.307518 0.108362 0.11 Uiso calc U . R 1 . .
C C34 0.5350(4) 0.2602(6) 0.0457(3) 0.077(2) Uani d . . . 1 . .
H H34 0.549251 0.290885 0.014489 0.092 Uiso calc U . R 1 . .
C C35 0.4798(4) 0.1963(5) 0.0479(2) 0.0595(17) Uani d . . . 1 . .
H H35 0.452654 0.173289 0.01748 0.071 Uiso calc U . R 1 . .
C C36 0.4213(5) 0.4171(5) 0.1469(3) 0.122(4) Uani d U . G 1 . .
H H36 0.413771 0.396629 0.182123 0.146 Uiso calc U . R 1 . .
C C37 0.4771(4) 0.4752(5) 0.1320(4) 0.129(4) Uani d U . G 1 . .
H H37 0.512551 0.499413 0.155692 0.155 Uiso calc U . R 1 . .
C C38 0.4693(4) 0.4897(5) 0.0745(4) 0.135(4) Uani d U . G 1 . .
H H38 0.498699 0.525126 0.05398 0.161 Uiso calc U . R 1 . .
C C39 0.4086(5) 0.4406(7) 0.0539(3) 0.147(5) Uani d U . G 1 . .
H H39 0.391358 0.438233 0.01755 0.176 Uiso calc U . R 1 . .
C C40 0.3790(3) 0.3957(6) 0.0987(4) 0.114(4) Uani d . . G 1 . .
H H40 0.33887 0.358818 0.096746 0.136 Uiso calc U . R 1 . .
C C41 0.3862(3) 0.1155(4) 0.1987(2) 0.0367(12) Uani d . . . 1 . .
C C42 0.4101(3) 0.0708(4) 0.2502(2) 0.0379(12) Uani d . . . 1 . .
H H42 0.440061 0.014509 0.255183 0.045 Uiso calc U . R 1 . .
C C43 0.3813(3) 0.1248(5) 0.2928(2) 0.0472(14) Uani d . . . 1 . .
H H43 0.389618 0.109937 0.331929 0.057 Uiso calc U . R 1 . .
C C44 0.3390(3) 0.2049(5) 0.2684(2) 0.0529(16) Uani d . . . 1 . .
H H44 0.314008 0.25312 0.286525 0.064 Uiso calc U . R 1 . .
C C45 0.3417(3) 0.1981(5) 0.2113(2) 0.0498(15) Uani d . . . 1 . .
H H45 0.317936 0.241358 0.185673 0.06 Uiso calc U . R 1 . .
C C46 0.2663(4) -0.0713(7) 0.1983(3) 0.079(2) Uani d . . . 1 . .
H H46 0.280187 -0.102378 0.167038 0.095 Uiso calc U . R 1 . .
C C47 0.2865(4) -0.1003(6) 0.2521(4) 0.080(2) Uani d . . . 1 . .
H H47 0.316534 -0.154246 0.262712 0.096 Uiso calc U . R 1 . .
C C48 0.2547(5) -0.0362(8) 0.2868(4) 0.086(3) Uani d . . . 1 . .
H H48 0.259394 -0.03996 0.324756 0.104 Uiso calc U . R 1 . .
C C49 0.2144(4) 0.0352(9) 0.2554(5) 0.102(3) Uani d . . . 1 . .
H H49 0.18772 0.087928 0.268461 0.123 Uiso calc U . R 1 . .
C C50 0.2217(4) 0.0126(9) 0.2003(4) 0.096(3) Uani d . . . 1 . .
H H50 0.20031 0.04779 0.170344 0.115 Uiso calc U . R 1 . .
C C51 0.4451(3) -0.0581(5) 0.1303(2) 0.0509(15) Uani d . . . 1 . .
C C52 0.4318(4) -0.1478(5) 0.1630(3) 0.067(2) Uani d . . . 1 . .
H H52 0.403926 -0.148378 0.190939 0.081 Uiso calc U . R 1 . .
C C53 0.4683(5) -0.2365(6) 0.1455(4) 0.091(3) Uani d . . . 1 . .
H H53 0.467795 -0.305124 0.159798 0.11 Uiso calc U . R 1 . .
C C54 0.5057(6) -0.2027(7) 0.1028(3) 0.109(4) Uani d . . . 1 . .
H H54 0.534126 -0.244661 0.084264 0.13 Uiso calc U . R 1 . .
C C55 0.4918(4) -0.0926(6) 0.0935(3) 0.075(2) Uani d . . . 1 . .
H H55 0.509901 -0.049944 0.06781 0.09 Uiso calc U . R 1 . .
C C56 0.5705(3) -0.0134(6) 0.2315(3) 0.0675(19) Uani d . . . 1 . .
H H56 0.549784 0.047126 0.243616 0.081 Uiso calc U . R 1 . .
C C57 0.5658(4) -0.1165(7) 0.2531(3) 0.076(2) Uani d . . . 1 . .
H H57 0.541183 -0.136981 0.281339 0.091 Uiso calc U . R 1 . .
C C58 0.6062(4) -0.1837(7) 0.2231(3) 0.085(2) Uani d . . . 1 . .
H H58 0.6132 -0.256379 0.228412 0.101 Uiso calc U . R 1 . .
C C59 0.6333(4) -0.1199(7) 0.1842(4) 0.081(2) Uani d . . . 1 . .
H H59 0.661693 -0.14315 0.159063 0.097 Uiso calc U . R 1 . .
C C60 0.6109(4) -0.0164(7) 0.1894(3) 0.077(2) Uani d . . . 1 . .
H H60 0.621312 0.041354 0.168106 0.092 Uiso calc U . R 1 . .
C C61 0.3292(3) 0.0781(5) 0.0812(2) 0.0513(15) Uani d . . . 1 . .
H H61A 0.297443 0.030017 0.095395 0.062 Uiso calc U . R 1 . .
H H61B 0.310112 0.149143 0.080716 0.062 Uiso calc U . R 1 . .
C C62 0.3378(3) 0.0455(5) 0.0222(2) 0.0510(15) Uani d . . . 1 . .
H H62A 0.376836 0.000477 0.022341 0.061 Uiso calc U . R 1 . .
H H62B 0.345922 0.109173 0.001491 0.061 Uiso calc U . R 1 . .
C C63 0.1886(3) 0.0613(4) -0.0228(2) 0.0505(15) Uani d . . . 1 . .
H H63A 0.155468 0.02672 -0.048061 0.061 Uiso calc U . R 1 . .
H H63B 0.170068 0.068584 0.011888 0.061 Uiso calc U . R 1 . .
C C64 0.2032(3) 0.1729(4) -0.0447(3) 0.0521(15) Uani d . . . 1 . .
H H64A 0.231375 0.164195 -0.074133 0.063 Uiso calc U . R 1 . .
H H64B 0.22882 0.211625 -0.015768 0.063 Uiso calc U . R 1 . .
C C65 0.2926(4) -0.0703(6) -0.0813(3) 0.0649(18) Uani d . . . 1 . .
H H65A 0.293476 -0.007372 -0.104122 0.078 Uiso calc U . R 1 . .
H H65B 0.338004 -0.09582 -0.074882 0.078 Uiso calc U . R 1 . .
C C66 0.2538(5) -0.1525(7) -0.1130(3) 0.090(3) Uani d . . . 1 . .
H H66 0.250558 -0.21774 -0.095415 0.107 Uiso calc U . R 1 . .
C C67 0.2239(5) -0.1473(8) -0.1611(3) 0.105(3) Uani d . . . 1 . .
H H67A 0.224976 -0.084535 -0.181042 0.126 Uiso calc U . R 1 . .
H H67B 0.200999 -0.206351 -0.176082 0.126 Uiso calc U . R 1 . .
C C68 0.2507(3) -0.1469(5) 0.0289(2) 0.0506(15) Uani d . . . 1 . .
C C69 0.3021(4) -0.2138(5) 0.0469(3) 0.070(2) Uani d . . . 1 . .
H H69 0.34466 -0.198712 0.037714 0.084 Uiso calc U . R 1 . .
C C70 0.2925(5) -0.3026(6) 0.0782(3) 0.082(2) Uani d . . . 1 . .
H H70 0.328031 -0.347256 0.089121 0.098 Uiso calc U . R 1 . .
C C71 0.2319(5) -0.3242(6) 0.0929(3) 0.086(3) Uani d . . . 1 . .
H H71 0.225675 -0.382976 0.114875 0.103 Uiso calc U . R 1 . .
C C72 0.1796(5) -0.2611(7) 0.0760(3) 0.092(3) Uani d . . . 1 . .
H H72 0.137345 -0.277817 0.085423 0.11 Uiso calc U . R 1 . .
C C73 0.1892(4) -0.1707(6) 0.0444(3) 0.0681(19) Uani d . . . 1 . .
H H73 0.153359 -0.126417 0.033763 0.082 Uiso calc U . R 1 . .
Fe Fe1 0.03817(4) 0.09637(7) -0.17194(3) 0.0491(2) Uani d . . . 1 . .
Fe Fe2 0.22947(5) 0.46796(7) -0.11788(4) 0.0636(3) Uani d . . . 1 . .
Fe Fe3 0.05773(5) 0.30800(7) 0.05182(3) 0.0504(2) Uani d . . . 1 . .
Fe Fe4 0.47083(6) 0.33117(8) 0.09203(5) 0.0739(3) Uani d . . . 1 . .
Fe Fe5 0.30968(4) 0.05675(7) 0.23995(3) 0.0477(2) Uani d . . . 1 . .
Fe Fe6 0.53213(5) -0.11668(7) 0.17199(3) 0.0546(3) Uani d . . . 1 . .
Si Si1 0.13116(8) 0.25889(11) -0.07059(6) 0.0389(4) Uani d . . . 1 . .
Si Si2 0.26551(9) -0.02668(12) -0.01322(6) 0.0451(4) Uani d . . . 1 . .
Si Si3 0.40748(8) 0.07810(12) 0.12951(6) 0.0402(4) Uani d . . . 1 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C5 . 1.431(8) ?
C1 C2 . 1.432(8) ?
C1 Si1 . 1.864(6) ?
C1 Fe1 . 2.071(5) ?
C2 C3 . 1.405(9) ?
C2 Fe1 . 2.036(6) ?
C2 H2 . 0.93 ?
C3 C4 . 1.401(10) ?
C3 Fe1 . 2.025(6) ?
C3 H3 . 0.93 ?
C4 C5 . 1.422(9) ?
C4 Fe1 . 2.027(6) ?
C4 H4 . 0.93 ?
C5 Fe1 . 2.037(6) ?
C5 H5 . 0.93 ?
C6 C7 . 1.392(16) ?
C6 C10 . 1.406(13) ?
C6 Fe1 . 2.017(8) ?
C6 H6 . 0.93 ?
C7 C8 . 1.352(18) ?
C7 Fe1 . 2.028(10) ?
C7 H7 . 0.93 ?
C8 C9 . 1.368(15) ?
C8 Fe1 . 2.008(9) ?
C8 H8 . 0.93 ?
C9 C10 . 1.369(11) ?
C9 Fe1 . 2.036(8) ?
C9 H9 . 0.93 ?
C10 Fe1 . 2.036(7) ?
C10 H10 . 0.93 ?
C11 C15 . 1.418(9) ?
C11 C12 . 1.434(8) ?
C11 Si1 . 1.868(6) ?
C11 Fe2 . 2.050(6) ?
C12 C13 . 1.409(10) ?
C12 Fe2 . 2.036(7) ?
C12 H12 . 0.93 ?
C13 C14 . 1.369(12) ?
C13 Fe2 . 2.035(8) ?
C13 H13 . 0.93 ?
C14 C15 . 1.419(10) ?
C14 Fe2 . 2.037(8) ?
C14 H14 . 0.93 ?
C15 Fe2 . 2.028(7) ?
C15 H15 . 0.93 ?
C16 C20 . 1.324(16) ?
C16 C17 . 1.535(17) ?
C16 Fe2 . 2.016(9) ?
C16 H16 . 0.93 ?
C17 C18 . 1.478(16) ?
C17 Fe2 . 2.025(9) ?
C17 H17 . 0.93 ?
C18 C19 . 1.301(15) ?
C18 Fe2 . 2.008(8) ?
C18 H18 . 0.93 ?
C19 C20 . 1.267(14) ?
C19 Fe2 . 2.034(10) ?
C19 H19 . 0.93 ?
C20 Fe2 . 2.030(10) ?
C20 H20 . 0.93 ?
C21 C25 . 1.438(7) ?
C21 C22 . 1.441(8) ?
C21 Si1 . 1.861(6) ?
C21 Fe3 . 2.057(5) ?
C22 C23 . 1.426(8) ?
C22 Fe3 . 2.046(6) ?
C22 H22 . 0.93 ?
C23 C24 . 1.407(9) ?
C23 Fe3 . 2.053(7) ?
C23 H23 . 0.93 ?
C24 C25 . 1.430(9) ?
C24 Fe3 . 2.042(7) ?
C24 H24 . 0.93 ?
C25 Fe3 . 2.036(6) ?
C25 H25 . 0.93 ?
C26 C27 . 1.386(12) ?
C26 C30 . 1.385(13) ?
C26 Fe3 . 2.025(8) ?
C26 H26 . 0.93 ?
C27 C28 . 1.405(12) ?
C27 Fe3 . 2.027(7) ?
C27 H27 . 0.93 ?
C28 C29 . 1.374(11) ?
C28 Fe3 . 2.036(7) ?
C28 H28 . 0.93 ?
C29 C30 . 1.387(13) ?
C29 Fe3 . 2.028(7) ?
C29 H29 . 0.93 ?
C30 Fe3 . 2.026(8) ?
C30 H30 . 0.93 ?
C31 C32 . 1.406(9) ?
C31 C35 . 1.434(8) ?
C31 Si3 . 1.870(6) ?
C31 Fe4 . 2.039(6) ?
C32 C33 . 1.426(11) ?
C32 Fe4 . 2.049(7) ?
C32 H32 . 0.93 ?
C33 C34 . 1.379(11) ?
C33 Fe4 . 2.049(9) ?
C33 H33 . 0.93 ?
C34 C35 . 1.378(9) ?
C34 Fe4 . 2.014(8) ?
C34 H34 . 0.93 ?
C35 Fe4 . 2.028(6) ?
C35 H35 . 0.93 ?
C36 C37 . 1.42 ?
C36 C40 . 1.42 ?
C36 Fe4 . 2.062(6) ?
C36 H36 . 0.93 ?
C37 C38 . 1.42 ?
C37 Fe4 . 2.054(6) ?
C37 H37 . 0.93 ?
C38 C39 . 1.42 ?
C38 Fe4 . 2.034(6) ?
C38 H38 . 0.93 ?
C39 C40 . 1.42 ?
C39 Fe4 . 2.028(6) ?
C39 H39 . 0.93 ?
C40 Fe4 . 2.045(6) ?
C40 H40 . 0.93 ?
C41 C45 . 1.424(8) ?
C41 C42 . 1.428(7) ?
C41 Si3 . 1.857(5) ?
C41 Fe5 . 2.065(5) ?
C42 C43 . 1.418(8) ?
C42 Fe5 . 2.027(5) ?
C42 H42 . 0.93 ?
C43 C44 . 1.414(8) ?
C43 Fe5 . 2.037(6) ?
C43 H43 . 0.98 ?
C44 C45 . 1.414(8) ?
C44 Fe5 . 2.052(6) ?
C44 H44 . 0.93 ?
C45 Fe5 . 2.037(6) ?
C45 H45 . 0.93 ?
C46 C47 . 1.393(10) ?
C46 C50 . 1.390(12) ?
C46 Fe5 . 2.055(7) ?
C46 H46 . 0.93 ?
C47 C48 . 1.377(12) ?
C47 Fe5 . 2.053(7) ?
C47 H47 . 0.93 ?
C48 C49 . 1.393(13) ?
C48 Fe5 . 2.042(7) ?
C48 H48 . 0.93 ?
C49 C50 . 1.408(12) ?
C49 Fe5 . 2.015(8) ?
C49 H49 . 0.93 ?
C50 Fe5 . 2.020(8) ?
C50 H50 . 0.93 ?
C51 C52 . 1.424(9) ?
C51 C55 . 1.435(9) ?
C51 Si3 . 1.869(6) ?
C51 Fe6 . 2.082(6) ?
C52 C53 . 1.424(10) ?
C52 Fe6 . 2.055(8) ?
C52 H52 . 0.93 ?
C53 C54 . 1.418(13) ?
C53 Fe6 . 2.044(8) ?
C53 H53 . 0.93 ?
C54 C55 . 1.423(10) ?
C54 Fe6 . 2.043(8) ?
C54 H54 . 0.93 ?
C55 Fe6 . 2.046(6) ?
C55 H55 . 0.93 ?
C56 C60 . 1.380(10) ?
C56 C57 . 1.405(10) ?
C56 Fe6 . 2.051(7) ?
C56 H56 . 0.93 ?
C57 C58 . 1.427(11) ?
C57 Fe6 . 2.045(6) ?
C57 H57 . 0.93 ?
C58 C59 . 1.399(11) ?
C58 Fe6 . 2.040(7) ?
C58 H58 . 0.93 ?
C59 C60 . 1.385(10) ?
C59 Fe6 . 2.037(8) ?
C59 H59 . 0.93 ?
C60 Fe6 . 2.041(8) ?
C60 H60 . 0.93 ?
C61 C62 . 1.534(8) ?
C61 Si3 . 1.885(6) ?
C61 H61A . 0.97 ?
C61 H61B . 0.97 ?
C62 Si2 . 1.862(6) ?
C62 H62A . 0.97 ?
C62 H62B . 0.97 ?
C63 C64 . 1.539(8) ?
C63 Si2 . 1.901(6) ?
C63 H63A . 0.97 ?
C63 H63B . 0.97 ?
C64 Si1 . 1.872(6) ?
C64 H64A . 0.97 ?
C64 H64B . 0.97 ?
C65 C66 . 1.473(10) ?
C65 Si2 . 1.893(7) ?
C65 H65A . 0.97 ?
C65 H65B . 0.97 ?
C66 C67 . 1.278(11) ?
C66 H66 . 0.93 ?
C67 H67A . 0.93 ?
C67 H67B . 0.93 ?
C68 C69 . 1.374(9) ?
C68 C73 . 1.368(9) ?
C68 Si2 . 1.870(6) ?
C69 C70 . 1.378(9) ?
C69 H69 . 0.93 ?
C70 C71 . 1.336(12) ?
C70 H70 . 0.93 ?
C71 C72 . 1.352(12) ?
C71 H71 . 0.93 ?
C72 C73 . 1.399(10) ?
C72 H72 . 0.93 ?
C73 H73 . 0.93 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C5 C1 C2 . . 105.6(5) ?
C5 C1 Si1 . . 130.4(5) ?
C2 C1 Si1 . . 123.7(4) ?
C5 C1 Fe1 . . 68.3(3) ?
C2 C1 Fe1 . . 68.3(3) ?
Si1 C1 Fe1 . . 132.8(3) ?
C3 C2 C1 . . 109.9(6) ?
C3 C2 Fe1 . . 69.3(4) ?
C1 C2 Fe1 . . 70.9(3) ?
C3 C2 H2 . . 125.0 ?
C1 C2 H2 . . 125.0 ?
Fe1 C2 H2 . . 126.3 ?
C4 C3 C2 . . 107.4(6) ?
C4 C3 Fe1 . . 69.9(4) ?
C2 C3 Fe1 . . 70.2(3) ?
C4 C3 H3 . . 126.3 ?
C2 C3 H3 . . 126.3 ?
Fe1 C3 H3 . . 125.3 ?
C3 C4 C5 . . 108.8(6) ?
C3 C4 Fe1 . . 69.7(4) ?
C5 C4 Fe1 . . 69.9(4) ?
C3 C4 H4 . . 125.6 ?
C5 C4 H4 . . 125.6 ?
Fe1 C4 H4 . . 126.4 ?
C4 C5 C1 . . 108.3(6) ?
C4 C5 Fe1 . . 69.1(4) ?
C1 C5 Fe1 . . 70.9(3) ?
C4 C5 H5 . . 125.9 ?
C1 C5 H5 . . 125.9 ?
Fe1 C5 H5 . . 125.7 ?
C7 C6 C10 . . 106.5(11) ?
C7 C6 Fe1 . . 70.3(6) ?
C10 C6 Fe1 . . 70.4(5) ?
C7 C6 H6 . . 126.7 ?
C10 C6 H6 . . 126.7 ?
Fe1 C6 H6 . . 124.2 ?
C8 C7 C6 . . 108.5(11) ?
C8 C7 Fe1 . . 69.7(6) ?
C6 C7 Fe1 . . 69.5(6) ?
C8 C7 H7 . . 125.7 ?
C6 C7 H7 . . 125.7 ?
Fe1 C7 H7 . . 126.7 ?
C7 C8 C9 . . 108.9(11) ?
C7 C8 Fe1 . . 71.2(7) ?
C9 C8 Fe1 . . 71.3(5) ?
C7 C8 H8 . . 125.6 ?
C9 C8 H8 . . 125.6 ?
Fe1 C8 H8 . . 123.5 ?
C8 C9 C10 . . 108.6(10) ?
C8 C9 Fe1 . . 69.1(6) ?
C10 C9 Fe1 . . 70.4(5) ?
C8 C9 H9 . . 125.7 ?
C10 C9 H9 . . 125.7 ?
Fe1 C9 H9 . . 126.4 ?
C9 C10 C6 . . 107.4(9) ?
C9 C10 Fe1 . . 70.4(4) ?
C6 C10 Fe1 . . 69.0(5) ?
C9 C10 H10 . . 126.3 ?
C6 C10 H10 . . 126.3 ?
Fe1 C10 H10 . . 125.9 ?
C15 C11 C12 . . 105.2(6) ?
C15 C11 Si1 . . 129.0(5) ?
C12 C11 Si1 . . 125.5(5) ?
C15 C11 Fe2 . . 68.8(4) ?
C12 C11 Fe2 . . 68.9(3) ?
Si1 C11 Fe2 . . 130.0(3) ?
C13 C12 C11 . . 109.1(7) ?
C13 C12 Fe2 . . 69.7(5) ?
C11 C12 Fe2 . . 70.0(4) ?
C13 C12 H12 . . 125.4 ?
C11 C12 H12 . . 125.4 ?
Fe2 C12 H12 . . 126.5 ?
C14 C13 C12 . . 108.1(7) ?
C14 C13 Fe2 . . 70.4(5) ?
C12 C13 Fe2 . . 69.8(4) ?
C14 C13 H13 . . 126.0 ?
C12 C13 H13 . . 126.0 ?
Fe2 C13 H13 . . 125.4 ?
C13 C14 C15 . . 108.9(7) ?
C13 C14 Fe2 . . 70.3(5) ?
C15 C14 Fe2 . . 69.2(4) ?
C13 C14 H14 . . 125.5 ?
C15 C14 H14 . . 125.5 ?
Fe2 C14 H14 . . 126.5 ?
C14 C15 C11 . . 108.6(7) ?
C14 C15 Fe2 . . 69.9(4) ?
C11 C15 Fe2 . . 70.5(4) ?
C14 C15 H15 . . 125.7 ?
C11 C15 H15 . . 125.7 ?
Fe2 C15 H15 . . 125.5 ?
C20 C16 C17 . . 106.6(11) ?
C20 C16 Fe2 . . 71.5(6) ?
C17 C16 Fe2 . . 68.0(5) ?
C20 C16 H16 . . 126.7 ?
C17 C16 H16 . . 126.7 ?
Fe2 C16 H16 . . 125.4 ?
C18 C17 C16 . . 97.7(8) ?
C18 C17 Fe2 . . 67.9(5) ?
C16 C17 Fe2 . . 67.4(5) ?
C18 C17 H17 . . 131.1 ?
C16 C17 H17 . . 131.1 ?
Fe2 C17 H17 . . 125.3 ?
C19 C18 C17 . . 110.8(12) ?
C19 C18 Fe2 . . 72.3(6) ?
C17 C18 Fe2 . . 69.1(5) ?
C19 C18 H18 . . 124.6 ?
C17 C18 H18 . . 124.6 ?
Fe2 C18 H18 . . 125.6 ?
C20 C19 C18 . . 111.3(15) ?
C20 C19 Fe2 . . 71.7(7) ?
C18 C19 Fe2 . . 70.2(6) ?
C20 C19 H19 . . 124.4 ?
C18 C19 H19 . . 124.4 ?
Fe2 C19 H19 . . 125.4 ?
C19 C20 C16 . . 113.6(14) ?
C19 C20 Fe2 . . 72.0(7) ?
C16 C20 Fe2 . . 70.3(7) ?
C19 C20 H20 . . 123.2 ?
C16 C20 H20 . . 123.2 ?
Fe2 C20 H20 . . 126.1 ?
C25 C21 C22 . . 105.8(5) ?
C25 C21 Si1 . . 132.1(4) ?
C22 C21 Si1 . . 122.0(4) ?
C25 C21 Fe3 . . 68.7(3) ?
C22 C21 Fe3 . . 69.1(3) ?
Si1 C21 Fe3 . . 129.1(3) ?
C23 C22 C21 . . 108.9(5) ?
C23 C22 Fe3 . . 69.9(3) ?
C21 C22 Fe3 . . 69.8(3) ?
C23 C22 H22 . . 125.6 ?
C21 C22 H22 . . 125.6 ?
Fe3 C22 H22 . . 126.3 ?
C24 C23 C22 . . 108.3(6) ?
C24 C23 Fe3 . . 69.5(4) ?
C22 C23 Fe3 . . 69.4(4) ?
C24 C23 H23 . . 125.8 ?
C22 C23 H23 . . 125.8 ?
Fe3 C23 H23 . . 126.9 ?
C23 C24 C25 . . 107.9(6) ?
C23 C24 Fe3 . . 70.3(4) ?
C25 C24 Fe3 . . 69.2(4) ?
C23 C24 H24 . . 126.0 ?
C25 C24 H24 . . 126.0 ?
Fe3 C24 H24 . . 126.0 ?
C24 C25 C21 . . 109.0(5) ?
C24 C25 Fe3 . . 69.7(4) ?
C21 C25 Fe3 . . 70.2(3) ?
C24 C25 H25 . . 125.5 ?
C21 C25 H25 . . 125.5 ?
Fe3 C25 H25 . . 126.2 ?
C27 C26 C30 . . 107.3(9) ?
C27 C26 Fe3 . . 70.1(5) ?
C30 C26 Fe3 . . 70.0(5) ?
C27 C26 H26 . . 126.3 ?
C30 C26 H26 . . 126.3 ?
Fe3 C26 H26 . . 125.2 ?
C26 C27 C28 . . 108.7(8) ?
C26 C27 Fe3 . . 69.9(5) ?
C28 C27 Fe3 . . 70.1(4) ?
C26 C27 H27 . . 125.7 ?
C28 C27 H27 . . 125.7 ?
Fe3 C27 H27 . . 125.9 ?
C29 C28 C27 . . 106.8(9) ?
C29 C28 Fe3 . . 69.9(4) ?
C27 C28 Fe3 . . 69.4(4) ?
C29 C28 H28 . . 126.6 ?
C27 C28 H28 . . 126.6 ?
Fe3 C28 H28 . . 125.6 ?
C28 C29 C30 . . 109.0(9) ?
C28 C29 Fe3 . . 70.6(4) ?
C30 C29 Fe3 . . 69.9(5) ?
C28 C29 H29 . . 125.5 ?
C30 C29 H29 . . 125.5 ?
Fe3 C29 H29 . . 125.7 ?
C26 C30 C29 . . 108.2(9) ?
C26 C30 Fe3 . . 70.0(5) ?
C29 C30 Fe3 . . 70.1(5) ?
C26 C30 H30 . . 125.9 ?
C29 C30 H30 . . 125.9 ?
Fe3 C30 H30 . . 125.6 ?
C32 C31 C35 . . 103.6(6) ?
C32 C31 Si3 . . 126.4(5) ?
C35 C31 Si3 . . 129.1(5) ?
C32 C31 Fe4 . . 70.3(4) ?
C35 C31 Fe4 . . 68.9(3) ?
Si3 C31 Fe4 . . 132.3(3) ?
C31 C32 C33 . . 109.9(6) ?
C31 C32 Fe4 . . 69.5(4) ?
C33 C32 Fe4 . . 69.6(5) ?
C31 C32 H32 . . 125.0 ?
C33 C32 H32 . . 125.0 ?
Fe4 C32 H32 . . 127.5 ?
C34 C33 C32 . . 107.4(7) ?
C34 C33 Fe4 . . 68.8(5) ?
C32 C33 Fe4 . . 69.7(5) ?
C34 C33 H33 . . 126.3 ?
C32 C33 H33 . . 126.3 ?
Fe4 C33 H33 . . 126.8 ?
C35 C34 C33 . . 108.0(7) ?
C35 C34 Fe4 . . 70.6(4) ?
C33 C34 Fe4 . . 71.5(5) ?
C35 C34 H34 . . 126.0 ?
C33 C34 H34 . . 126.0 ?
Fe4 C34 H34 . . 123.5 ?
C34 C35 C31 . . 110.9(6) ?
C34 C35 Fe4 . . 69.5(4) ?
C31 C35 Fe4 . . 69.8(3) ?
C34 C35 H35 . . 124.5 ?
C31 C35 H35 . . 124.5 ?
Fe4 C35 H35 . . 127.8 ?
C37 C36 C40 . . 108.0 ?
C37 C36 Fe4 . . 69.5(3) ?
C40 C36 Fe4 . . 69.2(3) ?
C37 C36 H36 . . 126.0 ?
C40 C36 H36 . . 126.0 ?
Fe4 C36 H36 . . 126.9 ?
C38 C37 C36 . . 108.0 ?
C38 C37 Fe4 . . 68.9(2) ?
C36 C37 Fe4 . . 70.1(2) ?
C38 C37 H37 . . 126.0 ?
C36 C37 H37 . . 126.0 ?
Fe4 C37 H37 . . 126.6 ?
C37 C38 C39 . . 108.0 ?
C37 C38 Fe4 . . 70.5(3) ?
C39 C38 Fe4 . . 69.3(3) ?
C37 C38 H38 . . 126.0 ?
C39 C38 H38 . . 126.0 ?
Fe4 C38 H38 . . 125.8 ?
C40 C39 C38 . . 108.0 ?
C40 C39 Fe4 . . 70.3(2) ?
C38 C39 Fe4 . . 69.7(3) ?
C40 C39 H39 . . 126.0 ?
C38 C39 H39 . . 126.0 ?
Fe4 C39 H39 . . 125.6 ?
C39 C40 C36 . . 108.0 ?
C39 C40 Fe4 . . 68.9(2) ?
C36 C40 Fe4 . . 70.4(3) ?
C39 C40 H40 . . 126.0 ?
C36 C40 H40 . . 126.0 ?
Fe4 C40 H40 . . 126.2 ?
C45 C41 C42 . . 105.0(5) ?
C45 C41 Si3 . . 126.2(4) ?
C42 C41 Si3 . . 128.9(4) ?
C45 C41 Fe5 . . 68.6(3) ?
C42 C41 Fe5 . . 68.1(3) ?
Si3 C41 Fe5 . . 127.7(3) ?
C43 C42 C41 . . 109.9(5) ?
C43 C42 Fe5 . . 70.0(3) ?
C41 C42 Fe5 . . 71.0(3) ?
C43 C42 H42 . . 125.0 ?
C41 C42 H42 . . 125.0 ?
Fe5 C42 H42 . . 125.6 ?
C44 C43 C42 . . 107.4(5) ?
C44 C43 Fe5 . . 70.3(3) ?
C42 C43 Fe5 . . 69.2(3) ?
C44 C43 H43 . . 126.3 ?
C42 C43 H43 . . 126.3 ?
Fe5 C43 H43 . . 126.3 ?
C43 C44 C45 . . 107.4(5) ?
C43 C44 Fe5 . . 69.2(3) ?
C45 C44 Fe5 . . 69.2(3) ?
C43 C44 H44 . . 126.3 ?
C45 C44 H44 . . 126.3 ?
Fe5 C44 H44 . . 126.9 ?
C44 C45 C41 . . 110.2(5) ?
C44 C45 Fe5 . . 70.4(3) ?
C41 C45 Fe5 . . 70.8(3) ?
C44 C45 H45 . . 124.9 ?
C41 C45 H45 . . 124.9 ?
Fe5 C45 H45 . . 125.6 ?
C47 C46 C50 . . 107.1(8) ?
C47 C46 Fe5 . . 70.1(4) ?
C50 C46 Fe5 . . 68.7(5) ?
C47 C46 H46 . . 126.4 ?
C50 C46 H46 . . 126.4 ?
Fe5 C46 H46 . . 126.3 ?
C48 C47 C46 . . 109.1(9) ?
C48 C47 Fe5 . . 69.9(5) ?
C46 C47 Fe5 . . 70.3(4) ?
C48 C47 H47 . . 125.4 ?
C46 C47 H47 . . 125.4 ?
Fe5 C47 H47 . . 125.9 ?
C47 C48 C49 . . 108.2(8) ?
C47 C48 Fe5 . . 70.8(4) ?
C49 C48 Fe5 . . 68.9(5) ?
C47 C48 H48 . . 125.9 ?
C49 C48 H48 . . 125.9 ?
Fe5 C48 H48 . . 126.0 ?
C48 C49 C50 . . 107.2(9) ?
C48 C49 Fe5 . . 71.0(5) ?
C50 C49 Fe5 . . 69.8(5) ?
C48 C49 H49 . . 126.4 ?
C50 C49 H49 . . 126.4 ?
Fe5 C49 H49 . . 124.5 ?
C46 C50 C49 . . 108.4(8) ?
C46 C50 Fe5 . . 71.4(4) ?
C49 C50 Fe5 . . 69.4(5) ?
C46 C50 H50 . . 125.8 ?
C49 C50 H50 . . 125.8 ?
Fe5 C50 H50 . . 124.9 ?
C52 C51 C55 . . 106.9(6) ?
C52 C51 Si3 . . 129.0(5) ?
C55 C51 Si3 . . 124.1(5) ?
C52 C51 Fe6 . . 68.9(4) ?
C55 C51 Fe6 . . 68.3(4) ?
Si3 C51 Fe6 . . 130.6(3) ?
C53 C52 C51 . . 108.3(7) ?
C53 C52 Fe6 . . 69.3(5) ?
C51 C52 Fe6 . . 70.9(4) ?
C53 C52 H52 . . 125.8 ?
C51 C52 H52 . . 125.8 ?
Fe6 C52 H52 . . 125.6 ?
C54 C53 C52 . . 108.6(7) ?
C54 C53 Fe6 . . 69.6(5) ?
C52 C53 Fe6 . . 70.1(4) ?
C54 C53 H53 . . 125.7 ?
C52 C53 H53 . . 125.7 ?
Fe6 C53 H53 . . 126.2 ?
C53 C54 C55 . . 107.3(7) ?
C53 C54 Fe6 . . 69.8(4) ?
C55 C54 Fe6 . . 69.7(4) ?
C53 C54 H54 . . 126.3 ?
C55 C54 H54 . . 126.3 ?
Fe6 C54 H54 . . 125.8 ?
C54 C55 C51 . . 108.8(8) ?
C54 C55 Fe6 . . 69.5(4) ?
C51 C55 Fe6 . . 71.0(3) ?
C54 C55 H55 . . 125.6 ?
C51 C55 H55 . . 125.6 ?
Fe6 C55 H55 . . 125.5 ?
C60 C56 C57 . . 109.0(7) ?
C60 C56 Fe6 . . 69.9(4) ?
C57 C56 Fe6 . . 69.7(4) ?
C60 C56 H56 . . 125.5 ?
C57 C56 H56 . . 125.5 ?
Fe6 C56 H56 . . 126.4 ?
C56 C57 C58 . . 106.6(7) ?
C56 C57 Fe6 . . 70.1(4) ?
C58 C57 Fe6 . . 69.4(4) ?
C56 C57 H57 . . 126.7 ?
C58 C57 H57 . . 126.7 ?
Fe6 C57 H57 . . 125.4 ?
C59 C58 C57 . . 107.3(7) ?
C59 C58 Fe6 . . 69.8(4) ?
C57 C58 Fe6 . . 69.7(4) ?
C59 C58 H58 . . 126.3 ?
C57 C58 H58 . . 126.3 ?
Fe6 C58 H58 . . 125.7 ?
C60 C59 C58 . . 108.6(7) ?
C60 C59 Fe6 . . 70.3(5) ?
C58 C59 Fe6 . . 70.0(4) ?
C60 C59 H59 . . 125.7 ?
C58 C59 H59 . . 125.7 ?
Fe6 C59 H59 . . 125.6 ?
C56 C60 C59 . . 108.5(7) ?
C56 C60 Fe6 . . 70.7(4) ?
C59 C60 Fe6 . . 70.0(5) ?
C56 C60 H60 . . 125.7 ?
C59 C60 H60 . . 125.7 ?
Fe6 C60 H60 . . 125.1 ?
C62 C61 Si3 . . 115.6(4) ?
C62 C61 H61A . . 108.4 ?
Si3 C61 H61A . . 108.4 ?
C62 C61 H61B . . 108.4 ?
Si3 C61 H61B . . 108.4 ?
H61A C61 H61B . . 107.4 ?
C61 C62 Si2 . . 114.7(4) ?
C61 C62 H62A . . 108.6 ?
Si2 C62 H62A . . 108.6 ?
C61 C62 H62B . . 108.6 ?
Si2 C62 H62B . . 108.6 ?
H62A C62 H62B . . 107.6 ?
C64 C63 Si2 . . 113.0(4) ?
C64 C63 H63A . . 109.0 ?
Si2 C63 H63A . . 109.0 ?
C64 C63 H63B . . 109.0 ?
Si2 C63 H63B . . 109.0 ?
H63A C63 H63B . . 107.8 ?
C63 C64 Si1 . . 118.3(4) ?
C63 C64 H64A . . 107.7 ?
Si1 C64 H64A . . 107.7 ?
C63 C64 H64B . . 107.7 ?
Si1 C64 H64B . . 107.7 ?
H64A C64 H64B . . 107.1 ?
C66 C65 Si2 . . 119.1(5) ?
C66 C65 H65A . . 107.5 ?
Si2 C65 H65A . . 107.5 ?
C66 C65 H65B . . 107.5 ?
Si2 C65 H65B . . 107.5 ?
H65A C65 H65B . . 107.0 ?
C67 C66 C65 . . 129.4(9) ?
C67 C66 H66 . . 115.3 ?
C65 C66 H66 . . 115.3 ?
C66 C67 H67A . . 120.0 ?
C66 C67 H67B . . 120.0 ?
H67A C67 H67B . . 120.0 ?
C69 C68 C73 . . 117.0(6) ?
C69 C68 Si2 . . 121.1(5) ?
C73 C68 Si2 . . 121.9(5) ?
C68 C69 C70 . . 122.1(8) ?
C68 C69 H69 . . 119.0 ?
C70 C69 H69 . . 119.0 ?
C71 C70 C69 . . 119.8(8) ?
C71 C70 H70 . . 120.1 ?
C69 C70 H70 . . 120.1 ?
C70 C71 C72 . . 120.4(7) ?
C70 C71 H71 . . 119.8 ?
C72 C71 H71 . . 119.8 ?
C71 C72 C73 . . 119.9(8) ?
C71 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C68 C73 C72 . . 120.7(7) ?
C68 C73 H73 . . 119.7 ?
C72 C73 H73 . . 119.7 ?
C8 Fe1 C6 . . 67.2(5) ?
C8 Fe1 C3 . . 121.8(5) ?
C6 Fe1 C3 . . 120.4(4) ?
C8 Fe1 C4 . . 107.5(4) ?
C6 Fe1 C4 . . 155.7(5) ?
C3 Fe1 C4 . . 40.5(3) ?
C8 Fe1 C7 . . 39.1(5) ?
C6 Fe1 C7 . . 40.3(5) ?
C3 Fe1 C7 . . 105.8(4) ?
C4 Fe1 C7 . . 120.6(4) ?
C8 Fe1 C5 . . 123.4(5) ?
C6 Fe1 C5 . . 161.8(5) ?
C3 Fe1 C5 . . 68.8(3) ?
C4 Fe1 C5 . . 41.0(3) ?
C7 Fe1 C5 . . 157.0(6) ?
C8 Fe1 C9 . . 39.5(4) ?
C6 Fe1 C9 . . 67.0(4) ?
C3 Fe1 C9 . . 158.7(4) ?
C4 Fe1 C9 . . 125.0(3) ?
C7 Fe1 C9 . . 66.0(5) ?
C5 Fe1 C9 . . 110.5(3) ?
C8 Fe1 C2 . . 157.9(5) ?
C6 Fe1 C2 . . 107.8(4) ?
C3 Fe1 C2 . . 40.5(2) ?
C4 Fe1 C2 . . 67.7(3) ?
C7 Fe1 C2 . . 123.2(6) ?
C5 Fe1 C2 . . 68.1(3) ?
C9 Fe1 C2 . . 160.5(3) ?
C8 Fe1 C10 . . 66.7(4) ?
C6 Fe1 C10 . . 40.6(4) ?
C3 Fe1 C10 . . 158.0(4) ?
C4 Fe1 C10 . . 161.3(4) ?
C7 Fe1 C10 . . 67.0(4) ?
C5 Fe1 C10 . . 126.0(3) ?
C9 Fe1 C10 . . 39.3(3) ?
C2 Fe1 C10 . . 124.6(3) ?
C8 Fe1 C1 . . 159.7(6) ?
C6 Fe1 C1 . . 124.6(4) ?
C3 Fe1 C1 . . 69.1(3) ?
C4 Fe1 C1 . . 68.7(2) ?
C7 Fe1 C1 . . 160.2(6) ?
C5 Fe1 C1 . . 40.8(2) ?
C9 Fe1 C1 . . 125.3(3) ?
C2 Fe1 C1 . . 40.8(2) ?
C10 Fe1 C1 . . 110.2(3) ?
C18 Fe2 C16 . . 68.6(4) ?
C18 Fe2 C17 . . 43.0(5) ?
C16 Fe2 C17 . . 44.6(5) ?
C18 Fe2 C15 . . 143.6(4) ?
C16 Fe2 C15 . . 131.1(5) ?
C17 Fe2 C15 . . 173.1(6) ?
C18 Fe2 C13 . . 110.2(4) ?
C16 Fe2 C13 . . 151.1(5) ?
C17 Fe2 C13 . . 113.7(5) ?
C15 Fe2 C13 . . 67.9(3) ?
C18 Fe2 C14 . . 113.8(4) ?
C16 Fe2 C14 . . 169.2(5) ?
C17 Fe2 C14 . . 144.3(6) ?
C15 Fe2 C14 . . 40.9(3) ?
C13 Fe2 C14 . . 39.3(3) ?
C18 Fe2 C20 . . 63.3(5) ?
C16 Fe2 C20 . . 38.2(4) ?
C17 Fe2 C20 . . 68.9(5) ?
C15 Fe2 C20 . . 110.9(5) ?
C13 Fe2 C20 . . 168.3(5) ?
C14 Fe2 C20 . . 132.4(6) ?
C18 Fe2 C19 . . 37.5(4) ?
C16 Fe2 C19 . . 64.7(5) ?
C17 Fe2 C19 . . 68.7(5) ?
C15 Fe2 C19 . . 115.6(5) ?
C13 Fe2 C19 . . 132.7(5) ?
C14 Fe2 C19 . . 110.3(5) ?
C20 Fe2 C19 . . 36.3(4) ?
C18 Fe2 C12 . . 135.6(4) ?
C16 Fe2 C12 . . 119.3(4) ?
C17 Fe2 C12 . . 108.8(4) ?
C15 Fe2 C12 . . 67.8(3) ?
C13 Fe2 C12 . . 40.5(3) ?
C14 Fe2 C12 . . 67.0(3) ?
C20 Fe2 C12 . . 150.9(4) ?
C19 Fe2 C12 . . 172.0(5) ?
C18 Fe2 C11 . . 175.5(4) ?
C16 Fe2 C11 . . 109.7(3) ?
C17 Fe2 C11 . . 132.8(5) ?
C15 Fe2 C11 . . 40.7(3) ?
C13 Fe2 C11 . . 69.1(3) ?
C14 Fe2 C11 . . 68.6(3) ?
C20 Fe2 C11 . . 118.2(4) ?
C19 Fe2 C11 . . 146.1(5) ?
C12 Fe2 C11 . . 41.1(2) ?
C30 Fe3 C26 . . 40.0(4) ?
C30 Fe3 C27 . . 66.8(4) ?
C26 Fe3 C27 . . 40.0(4) ?
C30 Fe3 C29 . . 40.0(4) ?
C26 Fe3 C29 . . 67.3(4) ?
C27 Fe3 C29 . . 66.7(3) ?
C30 Fe3 C25 . . 108.2(3) ?
C26 Fe3 C25 . . 123.3(4) ?
C27 Fe3 C25 . . 159.4(4) ?
C29 Fe3 C25 . . 123.3(3) ?
C30 Fe3 C28 . . 67.2(4) ?
C26 Fe3 C28 . . 67.9(4) ?
C27 Fe3 C28 . . 40.4(3) ?
C29 Fe3 C28 . . 39.5(3) ?
C25 Fe3 C28 . . 158.2(3) ?
C30 Fe3 C24 . . 121.8(4) ?
C26 Fe3 C24 . . 158.1(4) ?
C27 Fe3 C24 . . 158.9(4) ?
C29 Fe3 C24 . . 106.5(3) ?
C25 Fe3 C24 . . 41.0(2) ?
C28 Fe3 C24 . . 121.6(3) ?
C30 Fe3 C22 . . 161.7(4) ?
C26 Fe3 C22 . . 125.6(4) ?
C27 Fe3 C22 . . 109.6(3) ?
C29 Fe3 C22 . . 157.0(4) ?
C25 Fe3 C22 . . 68.4(2) ?
C28 Fe3 C22 . . 122.7(3) ?
C24 Fe3 C22 . . 68.3(2) ?
C30 Fe3 C21 . . 124.5(4) ?
C26 Fe3 C21 . . 108.8(3) ?
C27 Fe3 C21 . . 123.7(3) ?
C29 Fe3 C21 . . 160.2(4) ?
C25 Fe3 C21 . . 41.1(2) ?
C28 Fe3 C21 . . 159.1(3) ?
C24 Fe3 C21 . . 69.4(2) ?
C22 Fe3 C21 . . 41.1(2) ?
C30 Fe3 C23 . . 156.5(5) ?
C26 Fe3 C23 . . 161.3(4) ?
C27 Fe3 C23 . . 124.5(4) ?
C29 Fe3 C23 . . 121.0(4) ?
C25 Fe3 C23 . . 68.2(3) ?
C28 Fe3 C23 . . 107.0(3) ?
C24 Fe3 C23 . . 40.2(2) ?
C22 Fe3 C23 . . 40.7(2) ?
C21 Fe3 C23 . . 69.1(2) ?
C34 Fe4 C39 . . 116.2(3) ?
C34 Fe4 C35 . . 39.9(3) ?
C39 Fe4 C35 . . 113.6(3) ?
C34 Fe4 C38 . . 108.0(3) ?
C39 Fe4 C38 . . 40.93(11) ?
C35 Fe4 C38 . . 134.6(3) ?
C34 Fe4 C31 . . 69.7(3) ?
C39 Fe4 C31 . . 136.0(3) ?
C35 Fe4 C31 . . 41.3(2) ?
C38 Fe4 C31 . . 175.4(3) ?
C34 Fe4 C40 . . 149.2(4) ?
C39 Fe4 C40 . . 40.80(12) ?
C35 Fe4 C40 . . 120.1(3) ?
C38 Fe4 C40 . . 68.56(13) ?
C31 Fe4 C40 . . 111.2(3) ?
C34 Fe4 C32 . . 67.6(3) ?
C39 Fe4 C32 . . 174.5(4) ?
C35 Fe4 C32 . . 66.4(3) ?
C38 Fe4 C32 . . 143.2(4) ?
C31 Fe4 C32 . . 40.2(2) ?
C40 Fe4 C32 . . 134.0(3) ?
C34 Fe4 C33 . . 39.7(3) ?
C39 Fe4 C33 . . 144.7(4) ?
C35 Fe4 C33 . . 66.3(3) ?
C38 Fe4 C33 . . 111.9(3) ?
C31 Fe4 C33 . . 69.1(3) ?
C40 Fe4 C33 . . 171.1(4) ?
C32 Fe4 C33 . . 40.7(3) ?
C34 Fe4 C37 . . 130.2(3) ?
C39 Fe4 C37 . . 68.50(13) ?
C35 Fe4 C37 . . 170.1(3) ?
C38 Fe4 C37 . . 40.65(11) ?
C31 Fe4 C37 . . 143.8(3) ?
C40 Fe4 C37 . . 68.17(13) ?
C32 Fe4 C37 . . 112.6(3) ?
C33 Fe4 C37 . . 106.1(3) ?
C34 Fe4 C36 . . 169.0(4) ?
C39 Fe4 C36 . . 68.36(13) ?
C35 Fe4 C36 . . 149.5(3) ?
C38 Fe4 C36 . . 68.25(13) ?
C31 Fe4 C36 . . 114.7(2) ?
C40 Fe4 C36 . . 40.45(11) ?
C32 Fe4 C36 . . 108.7(3) ?
C33 Fe4 C36 . . 130.9(4) ?
C37 Fe4 C36 . . 40.36(11) ?
C49 Fe5 C50 . . 40.8(4) ?
C49 Fe5 C42 . . 161.8(4) ?
C50 Fe5 C42 . . 155.1(4) ?
C49 Fe5 C45 . . 121.6(4) ?
C50 Fe5 C45 . . 111.5(3) ?
C42 Fe5 C45 . . 67.7(2) ?
C49 Fe5 C43 . . 124.6(4) ?
C50 Fe5 C43 . . 163.9(4) ?
C42 Fe5 C43 . . 40.8(2) ?
C45 Fe5 C43 . . 68.1(2) ?
C49 Fe5 C48 . . 40.1(4) ?
C50 Fe5 C48 . . 67.4(3) ?
C42 Fe5 C48 . . 124.8(3) ?
C45 Fe5 C48 . . 154.3(4) ?
C43 Fe5 C48 . . 105.6(3) ?
C49 Fe5 C47 . . 66.9(4) ?
C50 Fe5 C47 . . 66.7(4) ?
C42 Fe5 C47 . . 107.7(3) ?
C45 Fe5 C47 . . 165.9(3) ?
C43 Fe5 C47 . . 117.9(3) ?
C48 Fe5 C47 . . 39.3(3) ?
C49 Fe5 C44 . . 107.8(3) ?
C50 Fe5 C44 . . 128.6(4) ?
C42 Fe5 C44 . . 68.1(2) ?
C45 Fe5 C44 . . 40.5(2) ?
C43 Fe5 C44 . . 40.5(2) ?
C48 Fe5 C44 . . 118.6(3) ?
C47 Fe5 C44 . . 151.8(3) ?
C49 Fe5 C46 . . 67.7(4) ?
C50 Fe5 C46 . . 39.9(4) ?
C42 Fe5 C46 . . 120.2(3) ?
C45 Fe5 C46 . . 130.0(3) ?
C43 Fe5 C46 . . 152.6(3) ?
C48 Fe5 C46 . . 66.9(3) ?
C47 Fe5 C46 . . 39.7(3) ?
C44 Fe5 C46 . . 166.6(3) ?
C49 Fe5 C41 . . 156.1(4) ?
C50 Fe5 C41 . . 121.7(3) ?
C42 Fe5 C41 . . 40.8(2) ?
C45 Fe5 C41 . . 40.6(2) ?
C43 Fe5 C41 . . 69.2(2) ?
C48 Fe5 C41 . . 162.7(4) ?
C47 Fe5 C41 . . 127.3(3) ?
C44 Fe5 C41 . . 68.9(2) ?
C46 Fe5 C41 . . 109.7(3) ?
C59 Fe6 C60 . . 39.7(3) ?
C59 Fe6 C58 . . 40.1(3) ?
C60 Fe6 C58 . . 67.3(3) ?
C59 Fe6 C54 . . 106.8(4) ?
C60 Fe6 C54 . . 129.5(4) ?
C58 Fe6 C54 . . 114.4(3) ?
C59 Fe6 C55 . . 116.4(3) ?
C60 Fe6 C55 . . 109.8(3) ?
C58 Fe6 C55 . . 147.6(3) ?
C54 Fe6 C55 . . 40.7(3) ?
C59 Fe6 C53 . . 128.7(3) ?
C60 Fe6 C53 . . 167.0(4) ?
C58 Fe6 C53 . . 107.2(3) ?
C54 Fe6 C53 . . 40.6(4) ?
C55 Fe6 C53 . . 68.1(3) ?
C59 Fe6 C57 . . 67.8(3) ?
C60 Fe6 C57 . . 67.4(3) ?
C58 Fe6 C57 . . 40.9(3) ?
C54 Fe6 C57 . . 148.2(4) ?
C55 Fe6 C57 . . 170.4(3) ?
C53 Fe6 C57 . . 116.8(4) ?
C59 Fe6 C56 . . 66.6(3) ?
C60 Fe6 C56 . . 39.4(3) ?
C58 Fe6 C56 . . 67.4(3) ?
C54 Fe6 C56 . . 168.3(4) ?
C55 Fe6 C56 . . 132.1(3) ?
C53 Fe6 C56 . . 151.0(4) ?
C57 Fe6 C56 . . 40.1(3) ?
C59 Fe6 C52 . . 167.7(3) ?
C60 Fe6 C52 . . 151.7(3) ?
C58 Fe6 C52 . . 130.2(3) ?
C54 Fe6 C52 . . 68.6(4) ?
C55 Fe6 C52 . . 68.1(3) ?
C53 Fe6 C52 . . 40.7(3) ?
C57 Fe6 C52 . . 109.7(3) ?
C56 Fe6 C52 . . 119.9(3) ?
C59 Fe6 C51 . . 150.1(3) ?
C60 Fe6 C51 . . 119.3(3) ?
C58 Fe6 C51 . . 169.5(3) ?
C54 Fe6 C51 . . 68.6(3) ?
C55 Fe6 C51 . . 40.7(3) ?
C53 Fe6 C51 . . 68.1(3) ?
C57 Fe6 C51 . . 131.8(3) ?
C56 Fe6 C51 . . 111.9(3) ?
C52 Fe6 C51 . . 40.3(2) ?
C21 Si1 C1 . . 107.8(3) ?
C21 Si1 C11 . . 104.9(3) ?
C1 Si1 C11 . . 106.4(2) ?
C21 Si1 C64 . . 116.2(3) ?
C1 Si1 C64 . . 111.0(3) ?
C11 Si1 C64 . . 109.9(3) ?
C62 Si2 C68 . . 107.0(3) ?
C62 Si2 C65 . . 105.9(3) ?
C68 Si2 C65 . . 109.5(3) ?
C62 Si2 C63 . . 111.7(3) ?
C68 Si2 C63 . . 111.4(3) ?
C65 Si2 C63 . . 111.1(3) ?
C41 Si3 C51 . . 110.6(2) ?
C41 Si3 C31 . . 112.7(2) ?
C51 Si3 C31 . . 106.3(3) ?
C41 Si3 C61 . . 108.9(3) ?
C51 Si3 C61 . . 108.8(3) ?
C31 Si3 C61 . . 109.5(3) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C5 C1 C2 C3 . . . . 0.0(7) ?
Si1 C1 C2 C3 . . . . 173.7(4) ?
Fe1 C1 C2 C3 . . . . -58.5(5) ?
C5 C1 C2 Fe1 . . . . 58.5(4) ?
Si1 C1 C2 Fe1 . . . . -127.8(4) ?
C1 C2 C3 C4 . . . . -0.8(8) ?
Fe1 C2 C3 C4 . . . . -60.2(5) ?
C1 C2 C3 Fe1 . . . . 59.4(4) ?
C2 C3 C4 C5 . . . . 1.3(8) ?
Fe1 C3 C4 C5 . . . . -59.1(5) ?
C2 C3 C4 Fe1 . . . . 60.4(5) ?
C3 C4 C5 C1 . . . . -1.3(7) ?
Fe1 C4 C5 C1 . . . . -60.3(4) ?
C3 C4 C5 Fe1 . . . . 59.0(5) ?
C2 C1 C5 C4 . . . . 0.8(7) ?
Si1 C1 C5 C4 . . . . -172.3(4) ?
Fe1 C1 C5 C4 . . . . 59.2(4) ?
C2 C1 C5 Fe1 . . . . -58.4(4) ?
Si1 C1 C5 Fe1 . . . . 128.4(5) ?
C10 C6 C7 C8 . . . . -2.6(12) ?
Fe1 C6 C7 C8 . . . . 58.9(8) ?
C10 C6 C7 Fe1 . . . . -61.5(6) ?
C6 C7 C8 C9 . . . . 3.0(13) ?
Fe1 C7 C8 C9 . . . . 61.7(7) ?
C6 C7 C8 Fe1 . . . . -58.8(8) ?
C7 C8 C9 C10 . . . . -2.2(12) ?
Fe1 C8 C9 C10 . . . . 59.5(6) ?
C7 C8 C9 Fe1 . . . . -61.7(8) ?
C8 C9 C10 C6 . . . . 0.6(9) ?
Fe1 C9 C10 C6 . . . . 59.3(5) ?
C8 C9 C10 Fe1 . . . . -58.7(6) ?
C7 C6 C10 C9 . . . . 1.2(10) ?
Fe1 C6 C10 C9 . . . . -60.1(6) ?
C7 C6 C10 Fe1 . . . . 61.4(7) ?
C15 C11 C12 C13 . . . . 0.8(8) ?
Si1 C11 C12 C13 . . . . 176.3(5) ?
Fe2 C11 C12 C13 . . . . -58.8(5) ?
C15 C11 C12 Fe2 . . . . 59.6(5) ?
Si1 C11 C12 Fe2 . . . . -124.9(5) ?
C11 C12 C13 C14 . . . . -1.3(9) ?
Fe2 C12 C13 C14 . . . . -60.3(6) ?
C11 C12 C13 Fe2 . . . . 59.0(5) ?
C12 C13 C14 C15 . . . . 1.3(10) ?
Fe2 C13 C14 C15 . . . . -58.6(6) ?
C12 C13 C14 Fe2 . . . . 59.9(5) ?
C13 C14 C15 C11 . . . . -0.9(10) ?
Fe2 C14 C15 C11 . . . . -60.1(5) ?
C13 C14 C15 Fe2 . . . . 59.2(6) ?
C12 C11 C15 C14 . . . . 0.1(8) ?
Si1 C11 C15 C14 . . . . -175.3(5) ?
Fe2 C11 C15 C14 . . . . 59.7(6) ?
C12 C11 C15 Fe2 . . . . -59.7(4) ?
Si1 C11 C15 Fe2 . . . . 125.0(5) ?
C20 C16 C17 C18 . . . . 0.7(10) ?
Fe2 C16 C17 C18 . . . . 62.1(5) ?
C20 C16 C17 Fe2 . . . . -61.4(7) ?
C16 C17 C18 C19 . . . . -1.3(11) ?
Fe2 C17 C18 C19 . . . . 60.4(8) ?
C16 C17 C18 Fe2 . . . . -61.7(5) ?
C17 C18 C19 C20 . . . . 1.5(15) ?
Fe2 C18 C19 C20 . . . . 60.1(9) ?
C17 C18 C19 Fe2 . . . . -58.5(7) ?
C18 C19 C20 C16 . . . . -1.1(16) ?
Fe2 C19 C20 C16 . . . . 58.1(9) ?
C18 C19 C20 Fe2 . . . . -59.2(9) ?
C17 C16 C20 C19 . . . . 0.1(13) ?
Fe2 C16 C20 C19 . . . . -59.0(10) ?
C17 C16 C20 Fe2 . . . . 59.2(6) ?
C25 C21 C22 C23 . . . . 0.0(6) ?
Si1 C21 C22 C23 . . . . 176.9(4) ?
Fe3 C21 C22 C23 . . . . -59.2(4) ?
C25 C21 C22 Fe3 . . . . 59.1(4) ?
Si1 C21 C22 Fe3 . . . . -123.9(4) ?
C21 C22 C23 C24 . . . . 0.4(7) ?
Fe3 C22 C23 C24 . . . . -58.7(4) ?
C21 C22 C23 Fe3 . . . . 59.1(4) ?
C22 C23 C24 C25 . . . . -0.6(7) ?
Fe3 C23 C24 C25 . . . . -59.2(4) ?
C22 C23 C24 Fe3 . . . . 58.7(4) ?
C23 C24 C25 C21 . . . . 0.6(7) ?
Fe3 C24 C25 C21 . . . . -59.4(4) ?
C23 C24 C25 Fe3 . . . . 59.9(4) ?
C22 C21 C25 C24 . . . . -0.3(6) ?
Si1 C21 C25 C24 . . . . -176.9(5) ?
Fe3 C21 C25 C24 . . . . 59.1(4) ?
C22 C21 C25 Fe3 . . . . -59.4(4) ?
Si1 C21 C25 Fe3 . . . . 124.1(5) ?
C30 C26 C27 C28 . . . . -0.8(9) ?
Fe3 C26 C27 C28 . . . . 59.6(6) ?
C30 C26 C27 Fe3 . . . . -60.4(6) ?
C26 C27 C28 C29 . . . . 0.7(9) ?
Fe3 C27 C28 C29 . . . . 60.2(6) ?
C26 C27 C28 Fe3 . . . . -59.5(6) ?
C27 C28 C29 C30 . . . . -0.4(9) ?
Fe3 C28 C29 C30 . . . . 59.5(6) ?
C27 C28 C29 Fe3 . . . . -59.9(6) ?
C27 C26 C30 C29 . . . . 0.5(9) ?
Fe3 C26 C30 C29 . . . . -59.9(6) ?
C27 C26 C30 Fe3 . . . . 60.4(6) ?
C28 C29 C30 C26 . . . . 0.0(10) ?
Fe3 C29 C30 C26 . . . . 59.9(6) ?
C28 C29 C30 Fe3 . . . . -59.9(6) ?
C35 C31 C32 C33 . . . . 3.5(8) ?
Si3 C31 C32 C33 . . . . 173.5(5) ?
Fe4 C31 C32 C33 . . . . -57.9(6) ?
C35 C31 C32 Fe4 . . . . 61.4(4) ?
Si3 C31 C32 Fe4 . . . . -128.6(5) ?
C31 C32 C33 C34 . . . . -0.8(9) ?
Fe4 C32 C33 C34 . . . . -58.7(6) ?
C31 C32 C33 Fe4 . . . . 57.9(5) ?
C32 C33 C34 C35 . . . . -2.3(10) ?
Fe4 C33 C34 C35 . . . . -61.5(6) ?
C32 C33 C34 Fe4 . . . . 59.2(6) ?
C33 C34 C35 C31 . . . . 4.7(9) ?
Fe4 C34 C35 C31 . . . . -57.4(5) ?
C33 C34 C35 Fe4 . . . . 62.1(6) ?
C32 C31 C35 C34 . . . . -5.0(8) ?
Si3 C31 C35 C34 . . . . -174.6(5) ?
Fe4 C31 C35 C34 . . . . 57.3(5) ?
C32 C31 C35 Fe4 . . . . -62.3(4) ?
Si3 C31 C35 Fe4 . . . . 128.1(5) ?
C40 C36 C37 C38 . . . . 0 ?
Fe4 C36 C37 C38 . . . . 58.6(2) ?
C40 C36 C37 Fe4 . . . . -58.6(2) ?
C36 C37 C38 C39 . . . . 0 ?
Fe4 C37 C38 C39 . . . . 59.4(3) ?
C36 C37 C38 Fe4 . . . . -59.4(3) ?
C37 C38 C39 C40 . . . . 0 ?
Fe4 C38 C39 C40 . . . . 60.1(2) ?
C37 C38 C39 Fe4 . . . . -60.1(2) ?
C38 C39 C40 C36 . . . . 0 ?
Fe4 C39 C40 C36 . . . . 59.8(3) ?
C38 C39 C40 Fe4 . . . . -59.8(3) ?
C37 C36 C40 C39 . . . . 0 ?
Fe4 C36 C40 C39 . . . . -58.9(2) ?
C37 C36 C40 Fe4 . . . . 58.9(2) ?
C45 C41 C42 C43 . . . . -0.3(6) ?
Si3 C41 C42 C43 . . . . 179.2(4) ?
Fe5 C41 C42 C43 . . . . -59.3(4) ?
C45 C41 C42 Fe5 . . . . 59.0(4) ?
Si3 C41 C42 Fe5 . . . . -121.5(4) ?
C41 C42 C43 C44 . . . . -0.3(6) ?
Fe5 C42 C43 C44 . . . . -60.2(4) ?
C41 C42 C43 Fe5 . . . . 60.0(4) ?
C42 C43 C44 C45 . . . . 0.7(7) ?
Fe5 C43 C44 C45 . . . . -58.8(4) ?
C42 C43 C44 Fe5 . . . . 59.5(4) ?
C43 C44 C45 C41 . . . . -0.9(7) ?
Fe5 C44 C45 C41 . . . . -59.7(4) ?
C43 C44 C45 Fe5 . . . . 58.8(4) ?
C42 C41 C45 C44 . . . . 0.7(6) ?
Si3 C41 C45 C44 . . . . -178.7(4) ?
Fe5 C41 C45 C44 . . . . 59.5(4) ?
C42 C41 C45 Fe5 . . . . -58.7(3) ?
Si3 C41 C45 Fe5 . . . . 121.8(4) ?
C50 C46 C47 C48 . . . . 0.4(8) ?
Fe5 C46 C47 C48 . . . . 59.3(5) ?
C50 C46 C47 Fe5 . . . . -59.0(5) ?
C46 C47 C48 C49 . . . . -0.6(9) ?
Fe5 C47 C48 C49 . . . . 58.9(6) ?
C46 C47 C48 Fe5 . . . . -59.5(5) ?
C47 C48 C49 C50 . . . . 0.6(9) ?
Fe5 C48 C49 C50 . . . . 60.7(6) ?
C47 C48 C49 Fe5 . . . . -60.1(6) ?
C47 C46 C50 C49 . . . . 0.0(9) ?
Fe5 C46 C50 C49 . . . . -59.8(6) ?
C47 C46 C50 Fe5 . . . . 59.8(5) ?
C48 C49 C50 C46 . . . . -0.4(9) ?
Fe5 C49 C50 C46 . . . . 61.1(6) ?
C48 C49 C50 Fe5 . . . . -61.5(6) ?
C55 C51 C52 C53 . . . . -1.5(8) ?
Si3 C51 C52 C53 . . . . 174.9(5) ?
Fe6 C51 C52 C53 . . . . -59.4(5) ?
C55 C51 C52 Fe6 . . . . 57.9(5) ?
Si3 C51 C52 Fe6 . . . . -125.8(5) ?
C51 C52 C53 C54 . . . . 1.2(9) ?
Fe6 C52 C53 C54 . . . . -59.2(6) ?
C51 C52 C53 Fe6 . . . . 60.4(5) ?
C52 C53 C54 C55 . . . . -0.4(10) ?
Fe6 C53 C54 C55 . . . . -59.9(6) ?
C52 C53 C54 Fe6 . . . . 59.4(5) ?
C53 C54 C55 C51 . . . . -0.5(10) ?
Fe6 C54 C55 C51 . . . . -60.4(5) ?
C53 C54 C55 Fe6 . . . . 59.9(6) ?
C52 C51 C55 C54 . . . . 1.2(8) ?
Si3 C51 C55 C54 . . . . -175.4(5) ?
Fe6 C51 C55 C54 . . . . 59.5(6) ?
C52 C51 C55 Fe6 . . . . -58.2(5) ?
Si3 C51 C55 Fe6 . . . . 125.2(5) ?
C60 C56 C57 C58 . . . . 1.1(8) ?
Fe6 C56 C57 C58 . . . . 60.1(5) ?
C60 C56 C57 Fe6 . . . . -59.1(5) ?
C56 C57 C58 C59 . . . . -0.6(9) ?
Fe6 C57 C58 C59 . . . . 60.0(6) ?
C56 C57 C58 Fe6 . . . . -60.6(5) ?
C57 C58 C59 C60 . . . . 0.0(9) ?
Fe6 C58 C59 C60 . . . . 59.9(6) ?
C57 C58 C59 Fe6 . . . . -59.9(5) ?
C57 C56 C60 C59 . . . . -1.1(9) ?
Fe6 C56 C60 C59 . . . . -60.1(6) ?
C57 C56 C60 Fe6 . . . . 59.0(5) ?
C58 C59 C60 C56 . . . . 0.7(10) ?
Fe6 C59 C60 C56 . . . . 60.5(6) ?
C58 C59 C60 Fe6 . . . . -59.8(6) ?
Si3 C61 C62 Si2 . . . . 147.0(3) ?
Si2 C63 C64 Si1 . . . . 167.1(3) ?
Si2 C65 C66 C67 . . . . 120.8(10) ?
C73 C68 C69 C70 . . . . 1.4(10) ?
Si2 C68 C69 C70 . . . . 179.7(6) ?
C68 C69 C70 C71 . . . . -1.5(12) ?
C69 C70 C71 C72 . . . . 1.8(13) ?
C70 C71 C72 C73 . . . . -2.0(13) ?
C69 C68 C73 C72 . . . . -1.6(10) ?
Si2 C68 C73 C72 . . . . -179.8(6) ?
C71 C72 C73 C68 . . . . 1.9(12) ?
C25 C21 Si1 C1 . . . . 88.6(6) ?
C22 C21 Si1 C1 . . . . -87.5(5) ?
Fe3 C21 Si1 C1 . . . . -175.5(3) ?
C25 C21 Si1 C11 . . . . -158.4(5) ?
C22 C21 Si1 C11 . . . . 25.6(5) ?
Fe3 C21 Si1 C11 . . . . -62.5(4) ?
C25 C21 Si1 C64 . . . . -36.8(6) ?
C22 C21 Si1 C64 . . . . 147.2(5) ?
Fe3 C21 Si1 C64 . . . . 59.1(4) ?
C5 C1 Si1 C21 . . . . -147.3(5) ?
C2 C1 Si1 C21 . . . . 40.6(5) ?
Fe1 C1 Si1 C21 . . . . -50.1(5) ?
C5 C1 Si1 C11 . . . . 100.6(6) ?
C2 C1 Si1 C11 . . . . -71.5(5) ?
Fe1 C1 Si1 C11 . . . . -162.1(4) ?
C5 C1 Si1 C64 . . . . -19.0(6) ?
C2 C1 Si1 C64 . . . . 168.9(5) ?
Fe1 C1 Si1 C64 . . . . 78.3(5) ?
C15 C11 Si1 C21 . . . . 91.0(7) ?
C12 C11 Si1 C21 . . . . -83.4(6) ?
Fe2 C11 Si1 C21 . . . . -174.7(4) ?
C15 C11 Si1 C1 . . . . -154.9(6) ?
C12 C11 Si1 C1 . . . . 30.7(6) ?
Fe2 C11 Si1 C1 . . . . -60.6(5) ?
C15 C11 Si1 C64 . . . . -34.5(7) ?
C12 C11 Si1 C64 . . . . 151.0(5) ?
Fe2 C11 Si1 C64 . . . . 59.7(5) ?
C63 C64 Si1 C21 . . . . 43.8(6) ?
C63 C64 Si1 C1 . . . . -79.9(5) ?
C63 C64 Si1 C11 . . . . 162.6(5) ?
C61 C62 Si2 C68 . . . . -57.2(5) ?
C61 C62 Si2 C65 . . . . -173.9(4) ?
C61 C62 Si2 C63 . . . . 64.9(5) ?
C69 C68 Si2 C62 . . . . -48.9(6) ?
C73 C68 Si2 C62 . . . . 129.3(6) ?
C69 C68 Si2 C65 . . . . 65.4(6) ?
C73 C68 Si2 C65 . . . . -116.4(6) ?
C69 C68 Si2 C63 . . . . -171.3(5) ?
C73 C68 Si2 C63 . . . . 6.9(6) ?
C66 C65 Si2 C62 . . . . 164.2(6) ?
C66 C65 Si2 C68 . . . . 49.2(7) ?
C66 C65 Si2 C63 . . . . -74.2(7) ?
C45 C41 Si3 C51 . . . . -162.1(5) ?
C42 C41 Si3 C51 . . . . 18.6(6) ?
Fe5 C41 Si3 C51 . . . . -72.5(4) ?
C45 C41 Si3 C31 . . . . 79.1(5) ?
C42 C41 Si3 C31 . . . . -100.2(5) ?
Fe5 C41 Si3 C31 . . . . 168.8(3) ?
C45 C41 Si3 C61 . . . . -42.6(5) ?
C42 C41 Si3 C61 . . . . 138.1(5) ?
Fe5 C41 Si3 C61 . . . . 47.1(4) ?
C52 C51 Si3 C41 . . . . 32.6(6) ?
C55 C51 Si3 C41 . . . . -151.6(5) ?
Fe6 C51 Si3 C41 . . . . -62.1(5) ?
C52 C51 Si3 C31 . . . . 155.2(6) ?
C55 C51 Si3 C31 . . . . -29.0(6) ?
Fe6 C51 Si3 C31 . . . . 60.5(5) ?
C52 C51 Si3 C61 . . . . -87.0(6) ?
C55 C51 Si3 C61 . . . . 88.8(6) ?
Fe6 C51 Si3 C61 . . . . 178.3(4) ?
C32 C31 Si3 C41 . . . . 39.8(7) ?
C35 C31 Si3 C41 . . . . -152.7(5) ?
Fe4 C31 Si3 C41 . . . . -56.2(5) ?
C32 C31 Si3 C51 . . . . -81.4(6) ?
C35 C31 Si3 C51 . . . . 86.0(6) ?
Fe4 C31 Si3 C51 . . . . -177.4(4) ?
C32 C31 Si3 C61 . . . . 161.2(6) ?
C35 C31 Si3 C61 . . . . -31.3(7) ?
Fe4 C31 Si3 C61 . . . . 65.2(4) ?
C62 C61 Si3 C41 . . . . -178.3(4) ?
C62 C61 Si3 C51 . . . . -57.7(5) ?
C62 C61 Si3 C31 . . . . 58.1(5) ?


####################################################################### 
# 
# 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_Sonia1_4
_database_code_depnum_ccdc_archive 'CCDC 2105208'
loop_
_audit_author_name
_audit_author_address
'Josefina Perles'
;Universidad Autonoma de Madrid
Spain
;
_audit_update_record             
;
2021-08-24 deposited with the CCDC.	2023-03-16 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            4
_chemical_formula_moiety         ?
_chemical_formula_sum            'C104 H118 Fe9 O4 Si8'
_chemical_formula_iupac          ?
_chemical_formula_weight         2159.35

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
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'

_cell_length_a                   30.0478(10)
_cell_length_b                   9.2412(2)
_cell_length_c                   35.8794(12)
_cell_angle_alpha                90
_cell_angle_beta                 91.7620(10)
_cell_angle_gamma                90
_cell_volume                     9958.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5255
_cell_measurement_theta_min      2.2718
_cell_measurement_theta_max      20.6044
_cell_measurement_temperature    296.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4480

_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   
;
;
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
;

_diffrn_ambient_temperature      296.(2)

_diffrn_source                   'sealed tube'
_diffrn_source_type              ?

_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  ?

_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_measurement_method       ?

_diffrn_detector_area_resol_mean ?

_diffrn_reflns_number            101581
_diffrn_reflns_av_R_equivalents  0.1550
_diffrn_reflns_av_unetI/netI     0.1501
_diffrn_reflns_theta_min         1.85
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_full        25.38
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_limit_l_max       43

_refine_special_details          
;
;

_reflns_number_total             18227
_reflns_number_gt                7657
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.2087
_refine_ls_R_factor_gt           0.0750
_refine_ls_wR_factor_gt          0.1450
_refine_ls_wR_factor_ref         0.1888
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.046
_refine_ls_number_reflns         18227
_refine_ls_number_parameters     1116
_refine_ls_number_restraints     19
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0728P)²+3.2181P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.143
_refine_diff_density_min         -1.148
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 -0.0205(3) -0.0892(10) 0.2141(3) 0.108(4) Uani d . . . 1.0 . .
H H1A -0.003348 -0.150448 0.230706 0.161 Uiso calc U . R 1.0 . .
H H1B -0.030471 -0.143975 0.192714 0.161 Uiso calc U . R 1.0 . .
H H1C -0.045805 -0.052379 0.226783 0.161 Uiso calc U . R 1.0 . .
C C2 0.0626(4) -0.0001(12) 0.1733(3) 0.132(4) Uani d . . . 1.0 . .
H H2A 0.082135 0.079876 0.168849 0.199 Uiso calc U . R 1.0 . .
H H2B 0.052586 -0.040776 0.149879 0.199 Uiso calc U . R 1.0 . .
H H2C 0.078273 -0.072481 0.18769 0.199 Uiso calc U . R 1.0 . .
C C3 -0.0202(3) 0.2024(10) 0.1712(3) 0.089(3) Uani d . . . 1.0 . .
H H3A -0.044143 0.235599 0.1866 0.107 Uiso calc U . R 1.0 . .
H H3B -0.001463 0.285124 0.166219 0.107 Uiso calc U . R 1.0 . .
C C4 -0.0397(3) 0.1507(8) 0.1357(3) 0.078(3) Uani d . . . 1.0 . .
H H4A -0.061615 0.07787 0.141598 0.094 Uiso calc U . R 1.0 . .
H H4B -0.016183 0.10154 0.122752 0.094 Uiso calc U . R 1.0 . .
C C5 -0.0349(3) 0.4509(8) 0.0956(3) 0.065(2) Uani d . . . 1.0 . .
C C6 -0.0101(3) 0.5344(11) 0.1218(3) 0.097(4) Uani d . . . 1.0 . .
H H6 -0.005557 0.512986 0.146947 0.116 Uiso calc U . R 1.0 . .
C C7 0.0065(4) 0.6565(12) 0.1030(4) 0.115(5) Uani d . . . 1.0 . .
H H7 0.022839 0.731098 0.114196 0.138 Uiso calc U . R 1.0 . .
C C8 -0.0051(3) 0.6487(10) 0.0648(5) 0.119(5) Uani d . . . 1.0 . .
H H8 0.002749 0.713182 0.046237 0.143 Uiso calc U . R 1.0 . .
C C9 -0.0313(3) 0.5226(10) 0.0605(3) 0.100(4) Uani d . . . 1.0 . .
H H9 -0.044281 0.490734 0.038129 0.121 Uiso calc U . R 1.0 . .
C C10 0.0579(4) 0.2694(12) 0.0753(4) 0.100(4) Uani d . . . 1.0 . .
H H10 0.04397 0.181161 0.079487 0.12 Uiso calc U . R 1.0 . .
C C11 0.0819(4) 0.3531(16) 0.1026(4) 0.111(4) Uani d . . . 1.0 . .
H H11 0.086675 0.330284 0.127701 0.133 Uiso calc U . R 1.0 . .
C C12 0.0970(4) 0.4768(15) 0.0841(6) 0.137(6) Uani d . . . 1.0 . .
H H12 0.113194 0.551438 0.095416 0.164 Uiso calc U . R 1.0 . .
C C13 0.0850(5) 0.4729(17) 0.0476(5) 0.137(6) Uani d . . . 1.0 . .
H H13 0.092092 0.540733 0.029624 0.164 Uiso calc U . R 1.0 . .
C C14 0.0587(5) 0.3413(14) 0.0419(4) 0.134(5) Uani d . . . 1.0 . .
H H14 0.044978 0.311684 0.019573 0.16 Uiso calc U . R 1.0 . .
C C15 -0.0688(2) 0.1859(7) 0.0560(2) 0.048(2) Uani d . . . 1.0 . .
C C16 -0.0441(2) 0.0649(8) 0.0426(3) 0.065(3) Uani d . . . 1.0 . .
H H16 -0.023233 0.011997 0.056646 0.078 Uiso calc U . R 1.0 . .
C C17 -0.0562(3) 0.0385(10) 0.0050(3) 0.075(3) Uani d . . . 1.0 . .
H H17 -0.044717 -0.034023 -0.009887 0.09 Uiso calc U . R 1.0 . .
C C18 -0.0882(3) 0.1387(11) -0.0061(3) 0.078(3) Uani d . . . 1.0 . .
H H18 -0.102098 0.144254 -0.0296 0.093 Uiso calc U . R 1.0 . .
C C19 -0.0961(3) 0.2321(8) 0.0247(2) 0.060(2) Uani d . . . 1.0 . .
H H19 -0.11573 0.309957 0.024485 0.072 Uiso calc U . R 1.0 . .
C C20 -0.1433(4) -0.0555(10) 0.0821(3) 0.074(3) Uani d . . . 1.0 . .
H H20 -0.137131 -0.033884 0.106996 0.088 Uiso calc U . R 1.0 . .
C C21 -0.1244(4) -0.1699(10) 0.0613(4) 0.097(4) Uani d . . . 1.0 . .
H H21 -0.103807 -0.237144 0.070484 0.117 Uiso calc U . R 1.0 . .
C C22 -0.1416(5) -0.1644(13) 0.0252(4) 0.102(4) Uani d . . . 1.0 . .
H H22 -0.134261 -0.224352 0.005482 0.123 Uiso calc U . R 1.0 . .
C C23 -0.1723(3) -0.0501(15) 0.0243(3) 0.092(3) Uani d . . . 1.0 . .
H H23 -0.189942 -0.023279 0.003651 0.11 Uiso calc U . R 1.0 . .
C C24 -0.1723(3) 0.0163(10) 0.0587(4) 0.075(3) Uani d . . . 1.0 . .
H H24 -0.189161 0.09662 0.064975 0.09 Uiso calc U . R 1.0 . .
C C25 -0.1250(2) 0.3172(7) 0.1143(2) 0.0441(19) Uani d . . . 1.0 . .
C C26 -0.1540(3) 0.4182(8) 0.0959(2) 0.054(2) Uani d . . . 1.0 . .
H H26 -0.14572 0.48426 0.0778 0.065 Uiso calc U . R 1.0 . .
C C27 -0.1973(3) 0.4020(10) 0.1094(3) 0.076(3) Uani d . . . 1.0 . .
H H27 -0.222458 0.453928 0.101625 0.091 Uiso calc U . R 1.0 . .
C C28 -0.1956(3) 0.2934(11) 0.1368(3) 0.081(3) Uani d . . . 1.0 . .
H H28 -0.219431 0.261345 0.150548 0.098 Uiso calc U . R 1.0 . .
C C29 -0.1521(3) 0.2419(8) 0.1398(2) 0.065(2) Uani d . . . 1.0 . .
H H29 -0.142279 0.169182 0.155929 0.078 Uiso calc U . R 1.0 . .
C C30 -0.1070(4) 0.5732(15) 0.1809(4) 0.109(4) Uani d . . . 1.0 . .
H H30 -0.076404 0.569712 0.177491 0.131 Uiso calc U . R 1.0 . .
C C31 -0.1420(8) 0.6746(12) 0.1602(3) 0.161(9) Uani d . . . 1.0 . .
H H31 -0.138578 0.745229 0.142066 0.193 Uiso calc U . R 1.0 . .
C C32 -0.1795(6) 0.6254(13) 0.1776(4) 0.127(6) Uani d . . . 1.0 . .
H H32 -0.20753 0.663967 0.172039 0.152 Uiso calc U . R 1.0 . .
C C33 -0.1738(5) 0.5208(16) 0.2026(3) 0.120(5) Uani d . . . 1.0 . .
H H33 -0.195688 0.475837 0.216295 0.144 Uiso calc U . R 1.0 . .
C C34 -0.1305(5) 0.4937(13) 0.2041(3) 0.100(4) Uani d . . . 1.0 . .
H H34 -0.117616 0.425075 0.22005 0.12 Uiso calc U . R 1.0 . .
C C35 -0.0313(3) 0.4768(11) 0.2624(3) 0.109(4) Uani d . . . 1.0 . .
H H35A -0.009491 0.538096 0.251475 0.163 Uiso calc U . R 1.0 . .
H H35B -0.05615 0.534369 0.269837 0.163 Uiso calc U . R 1.0 . .
H H35C -0.041338 0.405793 0.244554 0.163 Uiso calc U . R 1.0 . .
C C36 0.0043(4) 0.5162(12) 0.3415(4) 0.151(4) Uani d . . . 1.0 . .
H H36A 0.01695 0.46693 0.362889 0.226 Uiso calc U . R 1.0 . .
H H36B -0.02316 0.561258 0.348016 0.226 Uiso calc U . R 1.0 . .
H H36C 0.024731 0.588697 0.333373 0.226 Uiso calc U . R 1.0 . .
C C37 -0.0435(3) 0.2364(8) 0.3197(2) 0.066(2) Uani d . . . 1.0 . .
H H37A -0.046712 0.164923 0.300017 0.08 Uiso calc U . R 1.0 . .
H H37B -0.02936 0.189279 0.341138 0.08 Uiso calc U . R 1.0 . .
C C38 -0.0893(2) 0.2865(8) 0.3302(2) 0.056(2) Uani d . . . 1.0 . .
H H38A -0.105508 0.31309 0.307459 0.067 Uiso calc U . R 1.0 . .
H H38B -0.085704 0.373833 0.345017 0.067 Uiso calc U . R 1.0 . .
C C39 -0.1393(3) -0.0140(7) 0.3314(2) 0.0462(19) Uani d . . . 1.0 . .
C C40 -0.1122(3) -0.1026(8) 0.3084(2) 0.064(2) Uani d . . . 1.0 . .
H H40 -0.082469 -0.085362 0.30333 0.077 Uiso calc U . R 1.0 . .
C C41 -0.1377(4) -0.2199(9) 0.2945(3) 0.076(3) Uani d . . . 1.0 . .
H H41 -0.127803 -0.293315 0.279147 0.092 Uiso calc U . R 1.0 . .
C C42 -0.1805(4) -0.2064(8) 0.3080(2) 0.072(3) Uani d . . . 1.0 . .
H H42 -0.204183 -0.269002 0.303163 0.087 Uiso calc U . R 1.0 . .
C C43 -0.1815(3) -0.0808(8) 0.3304(2) 0.058(2) Uani d . . . 1.0 . .
H H43 -0.206292 -0.047091 0.342624 0.07 Uiso calc U . R 1.0 . .
C C44 -0.1422(4) 0.1026(12) 0.2371(3) 0.087(3) Uani d . . . 1.0 . .
H H44 -0.112985 0.134306 0.235206 0.105 Uiso calc U . R 1.0 . .
C C45 -0.1591(6) -0.0200(12) 0.2218(3) 0.106(4) Uani d . . . 1.0 . .
H H45 -0.143488 -0.086441 0.20776 0.128 Uiso calc U . R 1.0 . .
C C46 -0.2035(5) -0.0303(13) 0.2304(4) 0.103(4) Uani d . . . 1.0 . .
H H46 -0.222968 -0.104297 0.22318 0.124 Uiso calc U . R 1.0 . .
C C47 -0.2140(4) 0.0909(15) 0.2518(3) 0.098(4) Uani d . . . 1.0 . .
H H47 -0.241653 0.112297 0.26144 0.118 Uiso calc U . R 1.0 . .
C C48 -0.1752(4) 0.1740(10) 0.2562(2) 0.074(3) Uani d . . . 1.0 . .
H H48 -0.172129 0.260265 0.269386 0.089 Uiso calc U . R 1.0 . .
C C49 -0.1793(2) 0.2465(7) 0.3650(2) 0.0418(19) Uani d . . . 1.0 . .
C C50 -0.2014(3) 0.3632(8) 0.3463(2) 0.061(2) Uani d . . . 1.0 . .
H H50 -0.189987 0.413608 0.32629 0.074 Uiso calc U . R 1.0 . .
C C51 -0.2432(3) 0.3926(10) 0.3621(3) 0.070(3) Uani d . . . 1.0 . .
H H51 -0.263579 0.463246 0.354542 0.084 Uiso calc U . R 1.0 . .
C C52 -0.2476(3) 0.2941(10) 0.3914(3) 0.069(3) Uani d . . . 1.0 . .
H H52 -0.271787 0.287435 0.406854 0.083 Uiso calc U . R 1.0 . .
C C53 -0.2090(2) 0.2063(8) 0.3936(2) 0.055(2) Uani d . . . 1.0 . .
H H53 -0.203712 0.133326 0.410992 0.066 Uiso calc U . R 1.0 . .
C C54 -0.1608(4) 0.6121(9) 0.4056(3) 0.091(3) Uani d . . . 1.0 . .
H H54 -0.153635 0.672454 0.385944 0.109 Uiso calc U . R 1.0 . .
C C55 -0.2007(4) 0.6148(12) 0.4246(4) 0.107(5) Uani d . . . 1.0 . .
H H55 -0.224404 0.677734 0.420155 0.128 Uiso calc U . R 1.0 . .
C C56 -0.1983(4) 0.5065(16) 0.4511(3) 0.107(4) Uani d . . . 1.0 . .
H H56 -0.220579 0.483649 0.467556 0.129 Uiso calc U . R 1.0 . .
C C57 -0.1572(4) 0.4369(10) 0.4493(3) 0.075(3) Uani d . . . 1.0 . .
H H57 -0.147472 0.360086 0.464136 0.09 Uiso calc U . R 1.0 . .
C C58 -0.1333(3) 0.5028(9) 0.4211(3) 0.064(2) Uani d . . . 1.0 . .
H H58 -0.10471 0.479153 0.414034 0.077 Uiso calc U . R 1.0 . .
C C59 -0.0980(2) 0.1211(7) 0.4025(2) 0.0378(18) Uani d . . . 1.0 . .
C C60 -0.1128(2) 0.0224(8) 0.4301(2) 0.055(2) Uani d . . . 1.0 . .
H H60 -0.135391 -0.045429 0.426506 0.066 Uiso calc U . R 1.0 . .
C C61 -0.0877(3) 0.0437(10) 0.4638(2) 0.076(3) Uani d . . . 1.0 . .
H H61 -0.090839 -0.007257 0.48591 0.091 Uiso calc U . R 1.0 . .
C C62 -0.0573(3) 0.1553(9) 0.4577(3) 0.065(2) Uani d . . . 1.0 . .
H H62 -0.036582 0.191676 0.475093 0.078 Uiso calc U . R 1.0 . .
C C63 -0.0635(2) 0.2024(7) 0.4209(2) 0.046(2) Uani d . . . 1.0 . .
H H63 -0.047365 0.276309 0.410013 0.055 Uiso calc U . R 1.0 . .
C C64 -0.0389(4) -0.2189(11) 0.4057(5) 0.114(5) Uani d . . . 1.0 . .
H H64 -0.061989 -0.283923 0.400726 0.136 Uiso calc U . R 1.0 . .
C C65 -0.0159(5) -0.1946(13) 0.4397(4) 0.114(5) Uani d . . . 1.0 . .
H H65 -0.021066 -0.243042 0.461898 0.136 Uiso calc U . R 1.0 . .
C C66 0.0146(4) -0.0916(16) 0.4355(4) 0.105(4) Uani d . . . 1.0 . .
H H66 0.033463 -0.055878 0.454319 0.126 Uiso calc U . R 1.0 . .
C C67 0.0139(3) -0.0473(9) 0.3998(4) 0.075(3) Uani d . . . 1.0 . .
H H67 0.032648 0.021999 0.389975 0.089 Uiso calc U . R 1.0 . .
C C68 -0.0188(4) -0.1206(11) 0.3803(3) 0.078(3) Uani d . . . 1.0 . .
H H68 -0.026613 -0.108716 0.355169 0.094 Uiso calc U . R 1.0 . .
C C69 0.0874(4) -0.1084(11) 0.3109(3) 0.140(5) Uani d . . . 1.0 . .
H H69A 0.058166 -0.068268 0.312984 0.21 Uiso calc U . R 1.0 . .
H H69B 0.095165 -0.162305 0.332996 0.21 Uiso calc U . R 1.0 . .
H H69C 0.087922 -0.171401 0.289603 0.21 Uiso calc U . R 1.0 . .
C C70 0.1801(4) -0.0275(13) 0.2833(3) 0.134(5) Uani d . . . 1.0 . .
H H70A 0.172527 -0.09364 0.263517 0.201 Uiso calc U . R 1.0 . .
H H70B 0.198416 -0.076107 0.301854 0.201 Uiso calc U . R 1.0 . .
H H70C 0.196182 0.053092 0.273543 0.201 Uiso calc U . R 1.0 . .
C C71 0.1390(3) 0.1301(13) 0.3510(3) 0.108(4) Uani d . . . 1.0 . .
H H71A 0.115284 0.199049 0.354793 0.129 Uiso calc U . R 1.0 . .
H H71B 0.137268 0.057408 0.370369 0.129 Uiso calc U . R 1.0 . .
C C72 0.1822(3) 0.2074(10) 0.3562(3) 0.088(3) Uani d . . . 1.0 . .
H H72A 0.183774 0.278436 0.336375 0.105 Uiso calc U . R 1.0 . .
H H72B 0.205623 0.137439 0.352138 0.105 Uiso calc U . R 1.0 . .
C C73 0.1588(2) 0.4593(8) 0.4098(2) 0.054(2) Uani d . . . 1.0 . .
C C74 0.1233(3) 0.5129(10) 0.3861(3) 0.076(3) Uani d . . . 1.0 . .
H H74 0.114001 0.472922 0.363384 0.091 Uiso calc U . R 1.0 . .
C C75 0.1047(3) 0.6353(10) 0.4027(3) 0.083(3) Uani d . . . 1.0 . .
H H75 0.081459 0.690161 0.392466 0.1 Uiso calc U . R 1.0 . .
C C76 0.1267(3) 0.6623(9) 0.4372(3) 0.079(3) Uani d . . . 1.0 . .
H H76 0.120371 0.735699 0.453934 0.094 Uiso calc U . R 1.0 . .
C C77 0.1606(3) 0.5547(8) 0.4412(3) 0.064(2) Uani d . . . 1.0 . .
H H77 0.180739 0.54758 0.46132 0.077 Uiso calc U . R 1.0 . .
C C78 0.0843(3) 0.2583(8) 0.4533(3) 0.065(3) Uani d . . . 1.0 . .
H H78 0.100731 0.175575 0.448275 0.078 Uiso calc U . R 1.0 . .
C C79 0.0496(3) 0.3159(9) 0.4308(3) 0.072(3) Uani d . . . 1.0 . .
H H79 0.038901 0.278005 0.408187 0.086 Uiso calc U . R 1.0 . .
C C80 0.0338(3) 0.4403(10) 0.4483(4) 0.087(3) Uani d . . . 1.0 . .
H H80 0.010778 0.499635 0.439423 0.105 Uiso calc U . R 1.0 . .
C C81 0.0584(4) 0.4594(10) 0.4812(3) 0.090(3) Uani d . . . 1.0 . .
H H81 0.05473 0.533994 0.498214 0.108 Uiso calc U . R 1.0 . .
C C82 0.0897(3) 0.3480(10) 0.4846(3) 0.076(3) Uani d . . . 1.0 . .
H H82 0.110445 0.335681 0.504109 0.091 Uiso calc U . R 1.0 . .
C C83 0.1948(2) 0.1774(8) 0.4412(2) 0.052(2) Uani d . . . 1.0 . .
C C84 0.2006(3) 0.2210(9) 0.4788(3) 0.079(3) Uani d . . . 1.0 . .
H H84 0.208449 0.313777 0.486653 0.094 Uiso calc U . R 1.0 . .
C C85 0.1929(3) 0.1025(12) 0.5029(3) 0.090(3) Uani d . . . 1.0 . .
H H85 0.194456 0.104968 0.528824 0.108 Uiso calc U . R 1.0 . .
C C86 0.1826(3) -0.0178(11) 0.4811(4) 0.090(3) Uani d . . . 1.0 . .
H H86 0.17624 -0.110293 0.489723 0.108 Uiso calc U . R 1.0 . .
C C87 0.1834(3) 0.0275(10) 0.4427(3) 0.080(3) Uani d . . . 1.0 . .
H H87 0.177564 -0.031593 0.422165 0.095 Uiso calc U . R 1.0 . .
C C88 0.2975(4) 0.034(3) 0.4386(4) 0.127(5) Uani d . . . 1.0 . .
H H88 0.29803 0.047384 0.412898 0.152 Uiso calc U . R 1.0 . .
C C89 0.3060(3) 0.1409(15) 0.4649(7) 0.119(5) Uani d . . . 1.0 . .
H H89 0.313688 0.236331 0.460006 0.143 Uiso calc U . R 1.0 . .
C C90 0.3010(5) 0.081(3) 0.4998(5) 0.158(7) Uani d . . . 1.0 . .
H H90 0.304465 0.128366 0.522522 0.189 Uiso calc U . R 1.0 . .
C C91 0.2895(5) -0.069(3) 0.4947(7) 0.159(8) Uani d . . . 1.0 . .
H H91 0.283802 -0.136242 0.513216 0.19 Uiso calc U . R 1.0 . .
C C92 0.2885(5) -0.093(2) 0.4557(7) 0.146(6) Uani d . . . 1.0 . .
H H92 0.282619 -0.180617 0.443827 0.175 Uiso calc U . R 1.0 . .
C C93 0.2544(3) 0.3777(10) 0.3976(3) 0.070(3) Uani d . . . 1.0 . .
C C94 0.2748(3) 0.4864(10) 0.4208(3) 0.079(3) Uani d . . . 1.0 . .
H H94 0.260204 0.536584 0.439262 0.094 Uiso calc U . R 1.0 . .
C C95 0.3199(4) 0.5082(13) 0.4120(4) 0.106(4) Uani d . . . 1.0 . .
H H95 0.339979 0.573142 0.423045 0.127 Uiso calc U . R 1.0 . .
C C96 0.3277(4) 0.4107(14) 0.3832(4) 0.115(4) Uani d . . . 1.0 . .
H H96 0.354955 0.39911 0.371918 0.138 Uiso calc U . R 1.0 . .
C C97 0.2883(3) 0.3310(11) 0.3732(3) 0.098(3) Uani d . . . 1.0 . .
H H97 0.285267 0.261998 0.354381 0.118 Uiso calc U . R 1.0 . .
C C98 0.2438(6) 0.7343(14) 0.3612(3) 0.145(5) Uani d . . G 1.0 . .
H H98 0.229461 0.783769 0.379933 0.174 Uiso calc U . R 1.0 . .
C C99 0.2889(5) 0.7526(11) 0.3514(4) 0.159(6) Uani d . . G 1.0 . .
H H99 0.30924 0.816243 0.362568 0.191 Uiso calc U . R 1.0 . .
C C100 0.2975(3) 0.6567(17) 0.3215(4) 0.142(5) Uani d . . G 1.0 . .
H H100 0.324406 0.646549 0.309711 0.17 Uiso calc U . R 1.0 . .
C C101 0.2577(6) 0.5791(11) 0.3129(3) 0.146(5) Uani d . . G 1.0 . .
H H101 0.254 0.509197 0.29441 0.175 Uiso calc U . R 1.0 . .
C C102 0.2245(3) 0.6270(16) 0.3374(4) 0.136(5) Uani d . . G 1.0 . .
H H102 0.195321 0.594004 0.337809 0.163 Uiso calc U . R 1.0 . .
C C03A 0.1620(6) 0.484(2) 0.2573(6) 0.151(4) Uani d . P D 0.603(5) A 1
H H06A 0.167399 0.381716 0.258987 0.181 Uiso calc U P R 0.603(5) A 1
H H06B 0.160251 0.523856 0.281889 0.181 Uiso calc U P R 0.603(5) A 1
H H06C 0.185977 0.529307 0.24456 0.181 Uiso calc U P R 0.603(5) A 1
C C04A 0.1197(7) 0.585(2) 0.1845(4) 0.151(4) Uani d . P D 0.603(5) A 1
H H04A 0.127648 0.68512 0.185605 0.181 Uiso calc U P R 0.603(5) A 1
H H04B 0.092516 0.573391 0.170001 0.181 Uiso calc U P R 0.603(5) A 1
H H04C 0.143025 0.531093 0.17298 0.181 Uiso calc U P R 0.603(5) A 1
C C03B 0.1768(6) 0.482(3) 0.2270(10) 0.151(4) Uani d . P D 0.397(5) A 2
H H03D 0.185606 0.403744 0.243321 0.181 Uiso calc U P R 0.397(5) A 2
H H03E 0.181936 0.572299 0.239365 0.181 Uiso calc U P R 0.397(5) A 2
H H03F 0.193922 0.477658 0.204829 0.181 Uiso calc U P R 0.397(5) A 2
C C04B 0.0869(9) 0.639(2) 0.2100(10) 0.151(4) Uani d . P D 0.397(5) A 2
H H04D 0.10768 0.717214 0.207788 0.181 Uiso calc U P R 0.397(5) A 2
H H04E 0.069569 0.653283 0.231711 0.181 Uiso calc U P R 0.397(5) A 2
H H04F 0.067557 0.635979 0.188227 0.181 Uiso calc U P R 0.397(5) A 2
Fe Fe1 0.02992(4) 0.47067(12) 0.08072(4) 0.0699(4) Uani d . . . 1.0 . .
Fe Fe2 -0.11011(4) 0.02386(11) 0.03770(3) 0.0506(3) Uani d . . . 1.0 . .
Fe Fe3 -0.15414(4) 0.45662(12) 0.15164(3) 0.0644(4) Uani d . . . 1.0 . .
Fe Fe4 -0.16554(4) -0.02834(11) 0.27787(3) 0.0514(3) Uani d . . . 1.0 . .
Fe Fe5 -0.19207(4) 0.41772(11) 0.40047(3) 0.0502(3) Uani d . . . 1.0 . .
Fe Fe6 -0.04690(4) -0.01189(11) 0.42230(3) 0.0514(3) Uani d . . . 1.0 . .
Fe Fe7 0.09943(4) 0.46301(11) 0.43713(3) 0.0547(3) Uani d . . . 1.0 . .
Fe Fe8 0.24349(4) 0.05832(12) 0.46880(4) 0.0640(4) Uani d . . . 1.0 . .
Fe Fe9 0.27746(5) 0.54394(17) 0.36696(4) 0.0931(5) Uani d . . . 1.0 . .
O O1 0.0317(2) 0.1441(7) 0.23600(18) 0.0931(17) Uani d . . D 1.0 . .
O O2 0.04153(18) 0.3140(6) 0.29320(17) 0.0814(18) Uani d . . D 1.0 . .
O O3 0.1070(2) 0.1522(7) 0.27453(18) 0.104(2) Uani d . . D 1.0 . .
O O4A 0.0810(4) 0.3601(13) 0.2276(3) 0.0931(17) Uani d . P D 0.603(5) A 1
O O4B 0.0915(6) 0.363(2) 0.2387(5) 0.0931(17) Uani d . P D 0.397(5) A 2
Si Si1 0.06603(9) 0.2406(3) 0.25920(7) 0.0684(7) Uani d . . D 1.0 . .
Si Si2 0.01438(10) 0.0633(3) 0.19900(8) 0.0827(7) Uani d . . . 1.0 . .
Si Si3 -0.06654(7) 0.2774(2) 0.10224(6) 0.0500(6) Uani d . . . 1.0 . .
Si Si4 -0.00635(8) 0.3851(2) 0.30366(7) 0.0584(6) Uani d . . . 1.0 . .
Si Si5 -0.12510(7) 0.1582(2) 0.35668(6) 0.0403(5) Uani d . . . 1.0 . .
Si Si6 0.12793(10) 0.0390(3) 0.30509(8) 0.0804(8) Uani d . . . 1.0 . .
Si Si7 0.19669(7) 0.3039(2) 0.40133(7) 0.0578(6) Uani d . . . 1.0 . .
Si Si8A 0.11190(18) 0.5148(6) 0.23249(16) 0.0827(7) Uani d . P D 0.603(5) A 1
H H8A 0.094579 0.585936 0.246201 0.099 Uiso calc U P R 0.603(5) A 1
Si Si8B 0.1180(3) 0.4642(9) 0.2144(3) 0.0827(7) Uani d . P D 0.397(5) A 2
H H8B 0.11686 0.42101 0.189448 0.099 Uiso calc U P R 0.397(5) A 2


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 Si2 . 1.848(9) ?
C1 H1A . 0.96 ?
C1 H1B . 0.96 ?
C1 H1C . 0.96 ?
C2 Si2 . 1.837(11) ?
C2 H2A . 0.96 ?
C2 H2B . 0.96 ?
C2 H2C . 0.96 ?
C3 C4 . 1.463(11) ?
C3 Si2 . 1.914(9) ?
C3 H3A . 0.97 ?
C3 H3B . 0.97 ?
C4 Si3 . 1.847(8) ?
C4 H4A . 0.97 ?
C4 H4B . 0.97 ?
C5 C6 . 1.409(12) ?
C5 C9 . 1.431(13) ?
C5 Si3 . 1.883(8) ?
C5 Fe1 . 2.043(8) ?
C6 C7 . 1.415(14) ?
C6 Fe1 . 2.019(10) ?
C6 H6 . 0.93 ?
C7 C8 . 1.404(15) ?
C7 Fe1 . 2.028(10) ?
C7 H7 . 0.93 ?
C8 C9 . 1.412(12) ?
C8 Fe1 . 2.026(10) ?
C8 H8 . 0.93 ?
C9 Fe1 . 2.014(10) ?
C9 H9 . 0.93 ?
C10 C14 . 1.373(14) ?
C10 C11 . 1.428(14) ?
C10 Fe1 . 2.052(10) ?
C10 H10 . 0.93 ?
C11 C12 . 1.406(15) ?
C11 Fe1 . 2.041(11) ?
C11 H11 . 0.93 ?
C12 C13 . 1.345(18) ?
C12 Fe1 . 2.018(11) ?
C12 H12 . 0.93 ?
C13 C14 . 1.462(17) ?
C13 Fe1 . 2.066(13) ?
C13 H13 . 0.93 ?
C14 Fe1 . 2.048(12) ?
C14 H14 . 0.93 ?
C15 C16 . 1.432(9) ?
C15 C19 . 1.436(10) ?
C15 Si3 . 1.862(8) ?
C15 Fe2 . 2.040(7) ?
C16 C17 . 1.410(12) ?
C16 Fe2 . 2.022(8) ?
C16 H16 . 0.93 ?
C17 C18 . 1.384(12) ?
C17 Fe2 . 2.033(8) ?
C17 H17 . 0.93 ?
C18 C19 . 1.428(11) ?
C18 Fe2 . 2.024(9) ?
C18 H18 . 0.93 ?
C19 Fe2 . 2.027(7) ?
C19 H19 . 0.93 ?
C20 C24 . 1.361(12) ?
C20 C21 . 1.423(13) ?
C20 Fe2 . 2.041(8) ?
C20 H20 . 0.93 ?
C21 C22 . 1.380(14) ?
C21 Fe2 . 2.032(9) ?
C21 H21 . 0.93 ?
C22 C23 . 1.403(14) ?
C22 Fe2 . 2.024(9) ?
C22 H22 . 0.93 ?
C23 C24 . 1.381(13) ?
C23 Fe2 . 2.034(8) ?
C23 H23 . 0.93 ?
C24 Fe2 . 2.037(9) ?
C24 H24 . 0.93 ?
C25 C29 . 1.425(10) ?
C25 C26 . 1.427(9) ?
C25 Si3 . 1.858(7) ?
C25 Fe3 . 2.073(7) ?
C26 C27 . 1.411(11) ?
C26 Fe3 . 2.032(8) ?
C26 H26 . 0.93 ?
C27 C28 . 1.405(12) ?
C27 Fe3 . 2.028(9) ?
C27 H27 . 0.93 ?
C28 C29 . 1.392(11) ?
C28 Fe3 . 2.018(9) ?
C28 H28 . 0.93 ?
C29 Fe3 . 2.031(8) ?
C29 H29 . 0.93 ?
C30 C34 . 1.331(14) ?
C30 C31 . 1.578(18) ?
C30 Fe3 . 2.044(10) ?
C30 H30 . 0.93 ?
C31 C32 . 1.381(19) ?
C31 Fe3 . 2.068(10) ?
C31 H31 . 0.93 ?
C32 C33 . 1.327(15) ?
C32 Fe3 . 1.982(10) ?
C32 H32 . 0.93 ?
C33 C34 . 1.325(13) ?
C33 Fe3 . 2.029(10) ?
C33 H33 . 0.93 ?
C34 Fe3 . 2.021(10) ?
C34 H34 . 0.93 ?
C35 Si4 . 1.844(9) ?
C35 H35A . 0.96 ?
C35 H35B . 0.96 ?
C35 H35C . 0.96 ?
C36 Si4 . 1.840(12) ?
C36 H36A . 0.96 ?
C36 H36B . 0.96 ?
C36 H36C . 0.96 ?
C37 C38 . 1.510(10) ?
C37 Si4 . 1.874(8) ?
C37 H37A . 0.97 ?
C37 H37B . 0.97 ?
C38 Si5 . 1.878(7) ?
C38 H38A . 0.97 ?
C38 H38B . 0.97 ?
C39 C43 . 1.410(10) ?
C39 C40 . 1.434(10) ?
C39 Si5 . 1.874(7) ?
C39 Fe4 . 2.058(7) ?
C40 C41 . 1.410(11) ?
C40 Fe4 . 2.032(8) ?
C40 H40 . 0.93 ?
C41 C42 . 1.392(11) ?
C41 Fe4 . 2.039(8) ?
C41 H41 . 0.93 ?
C42 C43 . 1.412(10) ?
C42 Fe4 . 2.027(8) ?
C42 H42 . 0.93 ?
C43 Fe4 . 2.018(8) ?
C43 H43 . 0.93 ?
C44 C45 . 1.353(13) ?
C44 C48 . 1.389(12) ?
C44 Fe4 . 2.039(9) ?
C44 H44 . 0.93 ?
C45 C46 . 1.382(15) ?
C45 Fe4 . 2.029(10) ?
C45 H45 . 0.93 ?
C46 C47 . 1.401(14) ?
C46 Fe4 . 2.023(10) ?
C46 H46 . 0.93 ?
C47 C48 . 1.401(13) ?
C47 Fe4 . 2.031(9) ?
C47 H47 . 0.93 ?
C48 Fe4 . 2.042(8) ?
C48 H48 . 0.93 ?
C49 C50 . 1.425(9) ?
C49 C53 . 1.427(10) ?
C49 Si5 . 1.855(7) ?
C49 Fe5 . 2.073(6) ?
C50 C51 . 1.420(11) ?
C50 Fe5 . 2.019(8) ?
C50 H50 . 0.93 ?
C51 C52 . 1.400(12) ?
C51 Fe5 . 2.044(8) ?
C51 H51 . 0.93 ?
C52 C53 . 1.416(10) ?
C52 Fe5 . 2.039(8) ?
C52 H52 . 0.93 ?
C53 Fe5 . 2.032(7) ?
C53 H53 . 0.93 ?
C54 C55 . 1.395(14) ?
C54 C58 . 1.409(11) ?
C54 Fe5 . 2.032(9) ?
C54 H54 . 0.93 ?
C55 C56 . 1.381(15) ?
C55 Fe5 . 2.035(9) ?
C55 H55 . 0.93 ?
C56 C57 . 1.396(13) ?
C56 Fe5 . 2.007(9) ?
C56 H56 . 0.93 ?
C57 C58 . 1.396(12) ?
C57 Fe5 . 2.020(8) ?
C57 H57 . 0.93 ?
C58 Fe5 . 2.051(7) ?
C58 H58 . 0.93 ?
C59 C63 . 1.428(9) ?
C59 C60 . 1.428(9) ?
C59 Si5 . 1.843(7) ?
C59 Fe6 . 2.075(6) ?
C60 C61 . 1.420(11) ?
C60 Fe6 . 2.032(7) ?
C60 H60 . 0.93 ?
C61 C62 . 1.399(11) ?
C61 Fe6 . 2.023(9) ?
C61 H61 . 0.93 ?
C62 C63 . 1.397(10) ?
C62 Fe6 . 2.030(8) ?
C62 H62 . 0.93 ?
C63 Fe6 . 2.042(7) ?
C63 H63 . 0.93 ?
C64 C65 . 1.404(16) ?
C64 C68 . 1.433(15) ?
C64 Fe6 . 2.020(9) ?
C64 H64 . 0.93 ?
C65 C66 . 1.332(15) ?
C65 Fe6 . 2.019(10) ?
C65 H65 . 0.93 ?
C66 C67 . 1.342(13) ?
C66 Fe6 . 2.031(10) ?
C66 H66 . 0.93 ?
C67 C68 . 1.370(12) ?
C67 Fe6 . 2.046(9) ?
C67 H67 . 0.93 ?
C68 Fe6 . 2.018(9) ?
C68 H68 . 0.93 ?
C69 Si6 . 1.842(11) ?
C69 H69A . 0.96 ?
C69 H69B . 0.96 ?
C69 H69C . 0.96 ?
C70 Si6 . 1.877(10) ?
C70 H70A . 0.96 ?
C70 H70B . 0.96 ?
C70 H70C . 0.96 ?
C71 C72 . 1.488(11) ?
C71 Si6 . 1.869(9) ?
C71 H71A . 0.97 ?
C71 H71B . 0.97 ?
C72 Si7 . 1.887(9) ?
C72 H72A . 0.97 ?
C72 H72B . 0.97 ?
C73 C74 . 1.432(11) ?
C73 C77 . 1.432(10) ?
C73 Si7 . 1.863(8) ?
C73 Fe7 . 2.064(7) ?
C74 C75 . 1.402(12) ?
C74 Fe7 . 2.039(9) ?
C74 H74 . 0.93 ?
C75 C76 . 1.406(12) ?
C75 Fe7 . 2.025(9) ?
C75 H75 . 0.93 ?
C76 C77 . 1.428(10) ?
C76 Fe7 . 2.016(8) ?
C76 H76 . 0.93 ?
C77 Fe7 . 2.024(7) ?
C77 H77 . 0.93 ?
C78 C82 . 1.403(11) ?
C78 C79 . 1.405(11) ?
C78 Fe7 . 2.034(7) ?
C78 H78 . 0.93 ?
C79 C80 . 1.401(11) ?
C79 Fe7 . 2.031(8) ?
C79 H79 . 0.93 ?
C80 C81 . 1.386(13) ?
C80 Fe7 . 2.036(9) ?
C80 H80 . 0.93 ?
C81 C82 . 1.397(12) ?
C81 Fe7 . 2.034(10) ?
C81 H81 . 0.93 ?
C82 Fe7 . 2.035(9) ?
C82 H82 . 0.93 ?
C83 C84 . 1.415(11) ?
C83 C87 . 1.428(11) ?
C83 Si7 . 1.850(8) ?
C83 Fe8 . 2.061(7) ?
C84 C85 . 1.418(12) ?
C84 Fe8 . 2.019(8) ?
C84 H84 . 0.93 ?
C85 C86 . 1.389(12) ?
C85 Fe8 . 2.023(10) ?
C85 H85 . 0.93 ?
C86 C87 . 1.441(13) ?
C86 Fe8 . 2.023(9) ?
C86 H86 . 0.93 ?
C87 Fe8 . 2.027(9) ?
C87 H87 . 0.93 ?
C88 C92 . 1.355(18) ?
C88 C89 . 1.385(16) ?
C88 Fe8 . 1.993(12) ?
C88 H88 . 0.93 ?
C89 C90 . 1.383(17) ?
C89 Fe8 . 2.036(11) ?
C89 H89 . 0.93 ?
C90 C91 . 1.43(2) ?
C90 Fe8 . 2.036(12) ?
C90 H90 . 0.93 ?
C91 C92 . 1.42(2) ?
C91 Fe8 . 2.019(12) ?
C91 H91 . 0.93 ?
C92 Fe8 . 2.010(12) ?
C92 H92 . 0.93 ?
C93 C97 . 1.431(11) ?
C93 C94 . 1.429(12) ?
C93 Si7 . 1.872(9) ?
C93 Fe9 . 2.024(9) ?
C94 C95 . 1.416(12) ?
C94 Fe9 . 2.006(9) ?
C94 H94 . 0.93 ?
C95 C96 . 1.398(14) ?
C95 Fe9 . 2.055(11) ?
C95 H95 . 0.93 ?
C96 C97 . 1.431(13) ?
C96 Fe9 . 2.020(11) ?
C96 H96 . 0.93 ?
C97 Fe9 . 2.006(10) ?
C97 H97 . 0.93 ?
C98 C99 . 1.42 ?
C98 C102 . 1.42 ?
C98 Fe9 . 2.036(8) ?
C98 H98 . 0.93 ?
C99 C100 . 1.42 ?
C99 Fe9 . 2.040(9) ?
C99 H99 . 0.93 ?
C100 C101 . 1.42 ?
C100 Fe9 . 2.041(8) ?
C100 H100 . 0.93 ?
C101 C102 . 1.42 ?
C101 Fe9 . 2.038(9) ?
C101 H101 . 0.93 ?
C102 Fe9 . 2.035(8) ?
C102 H102 . 0.93 ?
C03A Si8A . 1.749(14) ?
C03A H06A . 0.96 ?
C03A H06B . 0.96 ?
C03A H06C . 0.96 ?
C04A Si8A . 1.862(14) ?
C04A H04A . 0.96 ?
C04A H04B . 0.96 ?
C04A H04C . 0.96 ?
C03B Si8B . 1.816(16) ?
C03B H03D . 0.96 ?
C03B H03E . 0.96 ?
C03B H03F . 0.96 ?
C04B Si8B . 1.870(16) ?
C04B H04D . 0.96 ?
C04B H04E . 0.96 ?
C04B H04F . 0.96 ?
O1 Si1 . 1.582(6) ?
O1 Si2 . 1.596(7) ?
O2 Si1 . 1.596(6) ?
O2 Si4 . 1.636(6) ?
O3 Si1 . 1.564(6) ?
O3 Si6 . 1.627(6) ?
O4A Si1 . 1.655(10) ?
O4A Si8A . 1.712(11) ?
O4B Si8B . 1.519(15) ?
O4B Si1 . 1.565(13) ?
Si8A H8A . 0.98 ?
Si8B H8B . 0.98 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Si2 C1 H1A . . 109.5 ?
Si2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
Si2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
Si2 C2 H2A . . 109.5 ?
Si2 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
Si2 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
C4 C3 Si2 . . 115.5(6) ?
C4 C3 H3A . . 108.4 ?
Si2 C3 H3A . . 108.4 ?
C4 C3 H3B . . 108.4 ?
Si2 C3 H3B . . 108.4 ?
H3A C3 H3B . . 107.5 ?
C3 C4 Si3 . . 120.9(6) ?
C3 C4 H4A . . 107.1 ?
Si3 C4 H4A . . 107.1 ?
C3 C4 H4B . . 107.1 ?
Si3 C4 H4B . . 107.1 ?
H4A C4 H4B . . 106.8 ?
C6 C5 C9 . . 106.3(8) ?
C6 C5 Si3 . . 129.8(8) ?
C9 C5 Si3 . . 123.9(7) ?
C6 C5 Fe1 . . 68.8(5) ?
C9 C5 Fe1 . . 68.3(5) ?
Si3 C5 Fe1 . . 126.8(4) ?
C5 C6 C7 . . 107.8(10) ?
C5 C6 Fe1 . . 70.6(5) ?
C7 C6 Fe1 . . 69.9(6) ?
C5 C6 H6 . . 126.1 ?
C7 C6 H6 . . 126.1 ?
Fe1 C6 H6 . . 125.0 ?
C8 C7 C6 . . 110.0(9) ?
C8 C7 Fe1 . . 69.6(6) ?
C6 C7 Fe1 . . 69.2(6) ?
C8 C7 H7 . . 125.0 ?
C6 C7 H7 . . 125.0 ?
Fe1 C7 H7 . . 127.9 ?
C7 C8 C9 . . 105.7(11) ?
C7 C8 Fe1 . . 69.8(6) ?
C9 C8 Fe1 . . 69.1(5) ?
C7 C8 H8 . . 127.2 ?
C9 C8 H8 . . 127.2 ?
Fe1 C8 H8 . . 125.5 ?
C8 C9 C5 . . 110.1(10) ?
C8 C9 Fe1 . . 70.0(6) ?
C5 C9 Fe1 . . 70.4(5) ?
C8 C9 H9 . . 125.0 ?
C5 C9 H9 . . 125.0 ?
Fe1 C9 H9 . . 126.2 ?
C14 C10 C11 . . 108.4(12) ?
C14 C10 Fe1 . . 70.3(7) ?
C11 C10 Fe1 . . 69.2(6) ?
C14 C10 H10 . . 125.8 ?
C11 C10 H10 . . 125.8 ?
Fe1 C10 H10 . . 126.3 ?
C12 C11 C10 . . 106.2(13) ?
C12 C11 Fe1 . . 68.8(7) ?
C10 C11 Fe1 . . 70.0(6) ?
C12 C11 H11 . . 126.9 ?
C10 C11 H11 . . 126.9 ?
Fe1 C11 H11 . . 125.9 ?
C13 C12 C11 . . 110.9(16) ?
C13 C12 Fe1 . . 72.8(10) ?
C11 C12 Fe1 . . 70.6(6) ?
C13 C12 H12 . . 124.5 ?
C11 C12 H12 . . 124.5 ?
Fe1 C12 H12 . . 123.6 ?
C12 C13 C14 . . 106.7(13) ?
C12 C13 Fe1 . . 68.8(8) ?
C14 C13 Fe1 . . 68.5(7) ?
C12 C13 H13 . . 126.6 ?
C14 C13 H13 . . 126.6 ?
Fe1 C13 H13 . . 127.6 ?
C10 C14 C13 . . 107.7(13) ?
C10 C14 Fe1 . . 70.6(7) ?
C13 C14 Fe1 . . 69.9(7) ?
C10 C14 H14 . . 126.2 ?
C13 C14 H14 . . 126.2 ?
Fe1 C14 H14 . . 124.9 ?
C16 C15 C19 . . 105.1(7) ?
C16 C15 Si3 . . 130.4(7) ?
C19 C15 Si3 . . 124.5(6) ?
C16 C15 Fe2 . . 68.7(4) ?
C19 C15 Fe2 . . 68.8(4) ?
Si3 C15 Fe2 . . 128.7(4) ?
C17 C16 C15 . . 109.5(8) ?
C17 C16 Fe2 . . 70.1(5) ?
C15 C16 Fe2 . . 70.0(4) ?
C17 C16 H16 . . 125.2 ?
C15 C16 H16 . . 125.2 ?
Fe2 C16 H16 . . 126.2 ?
C18 C17 C16 . . 108.5(8) ?
C18 C17 Fe2 . . 69.7(5) ?
C16 C17 Fe2 . . 69.2(5) ?
C18 C17 H17 . . 125.8 ?
C16 C17 H17 . . 125.8 ?
Fe2 C17 H17 . . 126.9 ?
C17 C18 C19 . . 108.2(9) ?
C17 C18 Fe2 . . 70.4(6) ?
C19 C18 Fe2 . . 69.5(5) ?
C17 C18 H18 . . 125.9 ?
C19 C18 H18 . . 125.9 ?
Fe2 C18 H18 . . 125.8 ?
C18 C19 C15 . . 108.7(8) ?
C18 C19 Fe2 . . 69.2(5) ?
C15 C19 Fe2 . . 69.8(4) ?
C18 C19 H19 . . 125.7 ?
C15 C19 H19 . . 125.7 ?
Fe2 C19 H19 . . 126.9 ?
C24 C20 C21 . . 107.4(10) ?
C24 C20 Fe2 . . 70.4(5) ?
C21 C20 Fe2 . . 69.2(5) ?
C24 C20 H20 . . 126.3 ?
C21 C20 H20 . . 126.3 ?
Fe2 C20 H20 . . 125.7 ?
C22 C21 C20 . . 108.7(10) ?
C22 C21 Fe2 . . 69.8(6) ?
C20 C21 Fe2 . . 69.9(5) ?
C22 C21 H21 . . 125.7 ?
C20 C21 H21 . . 125.7 ?
Fe2 C21 H21 . . 126.2 ?
C21 C22 C23 . . 106.1(10) ?
C21 C22 Fe2 . . 70.4(5) ?
C23 C22 Fe2 . . 70.2(5) ?
C21 C22 H22 . . 127.0 ?
C23 C22 H22 . . 127.0 ?
Fe2 C22 H22 . . 124.1 ?
C24 C23 C22 . . 109.3(10) ?
C24 C23 Fe2 . . 70.3(5) ?
C22 C23 Fe2 . . 69.4(5) ?
C24 C23 H23 . . 125.3 ?
C22 C23 H23 . . 125.3 ?
Fe2 C23 H23 . . 126.6 ?
C20 C24 C23 . . 108.5(10) ?
C20 C24 Fe2 . . 70.7(5) ?
C23 C24 Fe2 . . 70.0(5) ?
C20 C24 H24 . . 125.8 ?
C23 C24 H24 . . 125.8 ?
Fe2 C24 H24 . . 125.1 ?
C29 C25 C26 . . 105.2(7) ?
C29 C25 Si3 . . 128.1(6) ?
C26 C25 Si3 . . 126.2(6) ?
C29 C25 Fe3 . . 68.1(4) ?
C26 C25 Fe3 . . 68.2(4) ?
Si3 C25 Fe3 . . 134.0(4) ?
C27 C26 C25 . . 109.2(8) ?
C27 C26 Fe3 . . 69.5(5) ?
C25 C26 Fe3 . . 71.2(4) ?
C27 C26 H26 . . 125.4 ?
C25 C26 H26 . . 125.4 ?
Fe3 C26 H26 . . 125.5 ?
C28 C27 C26 . . 107.6(8) ?
C28 C27 Fe3 . . 69.3(5) ?
C26 C27 Fe3 . . 69.8(5) ?
C28 C27 H27 . . 126.2 ?
C26 C27 H27 . . 126.2 ?
Fe3 C27 H27 . . 126.2 ?
C29 C28 C27 . . 108.2(8) ?
C29 C28 Fe3 . . 70.4(5) ?
C27 C28 Fe3 . . 70.1(5) ?
C29 C28 H28 . . 125.9 ?
C27 C28 H28 . . 125.9 ?
Fe3 C28 H28 . . 125.2 ?
C28 C29 C25 . . 109.8(8) ?
C28 C29 Fe3 . . 69.4(5) ?
C25 C29 Fe3 . . 71.2(4) ?
C28 C29 H29 . . 125.1 ?
C25 C29 H29 . . 125.1 ?
Fe3 C29 H29 . . 125.8 ?
C34 C30 C31 . . 105.2(12) ?
C34 C30 Fe3 . . 70.0(6) ?
C31 C30 Fe3 . . 68.3(6) ?
C34 C30 H30 . . 127.4 ?
C31 C30 H30 . . 127.4 ?
Fe3 C30 H30 . . 125.9 ?
C32 C31 C30 . . 97.7(9) ?
C32 C31 Fe3 . . 66.7(6) ?
C30 C31 Fe3 . . 66.6(5) ?
C32 C31 H31 . . 131.1 ?
C30 C31 H31 . . 131.1 ?
Fe3 C31 H31 . . 127.0 ?
C33 C32 C31 . . 117.1(14) ?
C33 C32 Fe3 . . 72.6(6) ?
C31 C32 Fe3 . . 73.5(8) ?
C33 C32 H32 . . 121.5 ?
C31 C32 H32 . . 121.5 ?
Fe3 C32 H32 . . 124.0 ?
C34 C33 C32 . . 105.7(14) ?
C34 C33 Fe3 . . 70.6(6) ?
C32 C33 Fe3 . . 68.8(7) ?
C34 C33 H33 . . 127.1 ?
C32 C33 H33 . . 127.1 ?
Fe3 C33 H33 . . 125.1 ?
C33 C34 C30 . . 114.2(13) ?
C33 C34 Fe3 . . 71.2(7) ?
C30 C34 Fe3 . . 71.8(7) ?
C33 C34 H34 . . 122.9 ?
C30 C34 H34 . . 122.9 ?
Fe3 C34 H34 . . 125.8 ?
Si4 C35 H35A . . 109.5 ?
Si4 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
Si4 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
Si4 C36 H36A . . 109.5 ?
Si4 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
Si4 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
C38 C37 Si4 . . 114.1(5) ?
C38 C37 H37A . . 108.7 ?
Si4 C37 H37A . . 108.7 ?
C38 C37 H37B . . 108.7 ?
Si4 C37 H37B . . 108.7 ?
H37A C37 H37B . . 107.6 ?
C37 C38 Si5 . . 118.2(5) ?
C37 C38 H38A . . 107.8 ?
Si5 C38 H38A . . 107.8 ?
C37 C38 H38B . . 107.8 ?
Si5 C38 H38B . . 107.8 ?
H38A C38 H38B . . 107.1 ?
C43 C39 C40 . . 105.2(7) ?
C43 C39 Si5 . . 125.1(6) ?
C40 C39 Si5 . . 129.7(6) ?
C43 C39 Fe4 . . 68.2(4) ?
C40 C39 Fe4 . . 68.5(4) ?
Si5 C39 Fe4 . . 125.5(4) ?
C41 C40 C39 . . 109.2(8) ?
C41 C40 Fe4 . . 70.0(5) ?
C39 C40 Fe4 . . 70.4(4) ?
C41 C40 H40 . . 125.4 ?
C39 C40 H40 . . 125.4 ?
Fe4 C40 H40 . . 125.7 ?
C42 C41 C40 . . 107.9(8) ?
C42 C41 Fe4 . . 69.5(5) ?
C40 C41 Fe4 . . 69.5(5) ?
C42 C41 H41 . . 126.0 ?
C40 C41 H41 . . 126.0 ?
Fe4 C41 H41 . . 126.5 ?
C41 C42 C43 . . 107.9(8) ?
C41 C42 Fe4 . . 70.5(5) ?
C43 C42 Fe4 . . 69.2(4) ?
C41 C42 H42 . . 126.0 ?
C43 C42 H42 . . 126.0 ?
Fe4 C42 H42 . . 125.9 ?
C42 C43 C39 . . 109.8(8) ?
C42 C43 Fe4 . . 69.9(5) ?
C39 C43 Fe4 . . 71.3(4) ?
C42 C43 H43 . . 125.1 ?
C39 C43 H43 . . 125.1 ?
Fe4 C43 H43 . . 125.3 ?
C45 C44 C48 . . 109.5(11) ?
C45 C44 Fe4 . . 70.2(6) ?
C48 C44 Fe4 . . 70.2(5) ?
C45 C44 H44 . . 125.3 ?
C48 C44 H44 . . 125.3 ?
Fe4 C44 H44 . . 125.9 ?
C44 C45 C46 . . 108.7(11) ?
C44 C45 Fe4 . . 70.9(6) ?
C46 C45 Fe4 . . 69.8(6) ?
C44 C45 H45 . . 125.7 ?
C46 C45 H45 . . 125.7 ?
Fe4 C45 H45 . . 125.2 ?
C45 C46 C47 . . 107.6(10) ?
C45 C46 Fe4 . . 70.3(6) ?
C47 C46 Fe4 . . 70.1(6) ?
C45 C46 H46 . . 126.2 ?
C47 C46 H46 . . 126.2 ?
Fe4 C46 H46 . . 125.0 ?
C46 C47 C48 . . 107.4(10) ?
C46 C47 Fe4 . . 69.5(6) ?
C48 C47 Fe4 . . 70.3(5) ?
C46 C47 H47 . . 126.3 ?
C48 C47 H47 . . 126.3 ?
Fe4 C47 H47 . . 125.5 ?
C44 C48 C47 . . 106.8(9) ?
C44 C48 Fe4 . . 70.0(5) ?
C47 C48 Fe4 . . 69.5(5) ?
C44 C48 H48 . . 126.6 ?
C47 C48 H48 . . 126.6 ?
Fe4 C48 H48 . . 125.5 ?
C50 C49 C53 . . 104.1(7) ?
C50 C49 Si5 . . 131.0(6) ?
C53 C49 Si5 . . 124.9(5) ?
C50 C49 Fe5 . . 67.6(4) ?
C53 C49 Fe5 . . 68.1(4) ?
Si5 C49 Fe5 . . 128.0(3) ?
C51 C50 C49 . . 111.2(8) ?
C51 C50 Fe5 . . 70.5(5) ?
C49 C50 Fe5 . . 71.6(4) ?
C51 C50 H50 . . 124.4 ?
C49 C50 H50 . . 124.4 ?
Fe5 C50 H50 . . 125.0 ?
C52 C51 C50 . . 106.3(7) ?
C52 C51 Fe5 . . 69.8(5) ?
C50 C51 Fe5 . . 68.6(4) ?
C52 C51 H51 . . 126.8 ?
C50 C51 H51 . . 126.8 ?
Fe5 C51 H51 . . 126.3 ?
C51 C52 C53 . . 108.5(8) ?
C51 C52 Fe5 . . 70.1(5) ?
C53 C52 Fe5 . . 69.4(4) ?
C51 C52 H52 . . 125.7 ?
C53 C52 H52 . . 125.7 ?
Fe5 C52 H52 . . 126.4 ?
C52 C53 C49 . . 109.9(8) ?
C52 C53 Fe5 . . 69.9(4) ?
C49 C53 Fe5 . . 71.2(4) ?
C52 C53 H53 . . 125.1 ?
C49 C53 H53 . . 125.1 ?
Fe5 C53 H53 . . 125.4 ?
C55 C54 C58 . . 108.8(11) ?
C55 C54 Fe5 . . 70.1(6) ?
C58 C54 Fe5 . . 70.5(5) ?
C55 C54 H54 . . 125.6 ?
C58 C54 H54 . . 125.6 ?
Fe5 C54 H54 . . 125.4 ?
C56 C55 C54 . . 107.3(10) ?
C56 C55 Fe5 . . 68.9(6) ?
C54 C55 Fe5 . . 69.8(5) ?
C56 C55 H55 . . 126.4 ?
C54 C55 H55 . . 126.4 ?
Fe5 C55 H55 . . 126.5 ?
C55 C56 C57 . . 109.1(12) ?
C55 C56 Fe5 . . 71.1(6) ?
C57 C56 Fe5 . . 70.2(5) ?
C55 C56 H56 . . 125.4 ?
C57 C56 H56 . . 125.4 ?
Fe5 C56 H56 . . 124.8 ?
C56 C57 C58 . . 108.0(10) ?
C56 C57 Fe5 . . 69.2(5) ?
C58 C57 Fe5 . . 71.1(5) ?
C56 C57 H57 . . 126.0 ?
C58 C57 H57 . . 126.0 ?
Fe5 C57 H57 . . 125.2 ?
C57 C58 C54 . . 106.8(9) ?
C57 C58 Fe5 . . 68.7(5) ?
C54 C58 Fe5 . . 69.1(5) ?
C57 C58 H58 . . 126.6 ?
C54 C58 H58 . . 126.6 ?
Fe5 C58 H58 . . 127.1 ?
C63 C59 C60 . . 104.6(6) ?
C63 C59 Si5 . . 127.6(6) ?
C60 C59 Si5 . . 126.8(5) ?
C63 C59 Fe6 . . 68.5(4) ?
C60 C59 Fe6 . . 68.1(4) ?
Si5 C59 Fe6 . . 135.9(4) ?
C61 C60 C59 . . 109.5(7) ?
C61 C60 Fe6 . . 69.1(5) ?
C59 C60 Fe6 . . 71.3(4) ?
C61 C60 H60 . . 125.2 ?
C59 C60 H60 . . 125.2 ?
Fe6 C60 H60 . . 125.9 ?
C62 C61 C60 . . 107.5(8) ?
C62 C61 Fe6 . . 70.1(5) ?
C60 C61 Fe6 . . 69.9(5) ?
C62 C61 H61 . . 126.2 ?
C60 C61 H61 . . 126.2 ?
Fe6 C61 H61 . . 125.4 ?
C63 C62 C61 . . 108.0(7) ?
C63 C62 Fe6 . . 70.4(4) ?
C61 C62 Fe6 . . 69.5(5) ?
C63 C62 H62 . . 126.0 ?
C61 C62 H62 . . 126.0 ?
Fe6 C62 H62 . . 125.6 ?
C62 C63 C59 . . 110.4(7) ?
C62 C63 Fe6 . . 69.5(4) ?
C59 C63 Fe6 . . 71.0(4) ?
C62 C63 H63 . . 124.8 ?
C59 C63 H63 . . 124.8 ?
Fe6 C63 H63 . . 126.4 ?
C65 C64 C68 . . 104.2(10) ?
C65 C64 Fe6 . . 69.6(6) ?
C68 C64 Fe6 . . 69.1(5) ?
C65 C64 H64 . . 127.9 ?
C68 C64 H64 . . 127.9 ?
Fe6 C64 H64 . . 125.0 ?
C66 C65 C64 . . 109.7(12) ?
C66 C65 Fe6 . . 71.3(6) ?
C64 C65 Fe6 . . 69.7(6) ?
C66 C65 H65 . . 125.2 ?
C64 C65 H65 . . 125.2 ?
Fe6 C65 H65 . . 125.4 ?
C65 C66 C67 . . 109.7(12) ?
C65 C66 Fe6 . . 70.3(7) ?
C67 C66 Fe6 . . 71.4(6) ?
C65 C66 H66 . . 125.2 ?
C67 C66 H66 . . 125.2 ?
Fe6 C66 H66 . . 124.8 ?
C66 C67 C68 . . 109.1(10) ?
C66 C67 Fe6 . . 70.2(6) ?
C68 C67 Fe6 . . 69.2(5) ?
C66 C67 H67 . . 125.5 ?
C68 C67 H67 . . 125.5 ?
Fe6 C67 H67 . . 126.7 ?
C67 C68 C64 . . 107.3(10) ?
C67 C68 Fe6 . . 71.4(5) ?
C64 C68 Fe6 . . 69.3(6) ?
C67 C68 H68 . . 126.3 ?
C64 C68 H68 . . 126.3 ?
Fe6 C68 H68 . . 124.5 ?
Si6 C69 H69A . . 109.5 ?
Si6 C69 H69B . . 109.5 ?
H69A C69 H69B . . 109.5 ?
Si6 C69 H69C . . 109.5 ?
H69A C69 H69C . . 109.5 ?
H69B C69 H69C . . 109.5 ?
Si6 C70 H70A . . 109.5 ?
Si6 C70 H70B . . 109.5 ?
H70A C70 H70B . . 109.5 ?
Si6 C70 H70C . . 109.5 ?
H70A C70 H70C . . 109.5 ?
H70B C70 H70C . . 109.5 ?
C72 C71 Si6 . . 117.3(7) ?
C72 C71 H71A . . 108.0 ?
Si6 C71 H71A . . 108.0 ?
C72 C71 H71B . . 108.0 ?
Si6 C71 H71B . . 108.0 ?
H71A C71 H71B . . 107.2 ?
C71 C72 Si7 . . 120.8(7) ?
C71 C72 H72A . . 107.1 ?
Si7 C72 H72A . . 107.1 ?
C71 C72 H72B . . 107.1 ?
Si7 C72 H72B . . 107.1 ?
H72A C72 H72B . . 106.8 ?
C74 C73 C77 . . 105.2(7) ?
C74 C73 Si7 . . 128.2(7) ?
C77 C73 Si7 . . 126.5(6) ?
C74 C73 Fe7 . . 68.7(5) ?
C77 C73 Fe7 . . 68.0(4) ?
Si7 C73 Fe7 . . 129.2(4) ?
C75 C74 C73 . . 109.0(9) ?
C75 C74 Fe7 . . 69.3(5) ?
C73 C74 Fe7 . . 70.5(5) ?
C75 C74 H74 . . 125.5 ?
C73 C74 H74 . . 125.5 ?
Fe7 C74 H74 . . 126.4 ?
C74 C75 C76 . . 109.6(9) ?
C74 C75 Fe7 . . 70.4(5) ?
C76 C75 Fe7 . . 69.3(5) ?
C74 C75 H75 . . 125.2 ?
C76 C75 H75 . . 125.2 ?
Fe7 C75 H75 . . 126.7 ?
C75 C76 C77 . . 106.3(8) ?
C75 C76 Fe7 . . 70.0(5) ?
C77 C76 Fe7 . . 69.6(4) ?
C75 C76 H76 . . 126.9 ?
C77 C76 H76 . . 126.9 ?
Fe7 C76 H76 . . 125.1 ?
C76 C77 C73 . . 109.8(8) ?
C76 C77 Fe7 . . 69.0(4) ?
C73 C77 Fe7 . . 71.0(4) ?
C76 C77 H77 . . 125.1 ?
C73 C77 H77 . . 125.1 ?
Fe7 C77 H77 . . 126.5 ?
C82 C78 C79 . . 107.6(8) ?
C82 C78 Fe7 . . 69.9(5) ?
C79 C78 Fe7 . . 69.7(5) ?
C82 C78 H78 . . 126.2 ?
C79 C78 H78 . . 126.2 ?
Fe7 C78 H78 . . 125.8 ?
C80 C79 C78 . . 108.0(9) ?
C80 C79 Fe7 . . 70.1(5) ?
C78 C79 Fe7 . . 69.9(5) ?
C80 C79 H79 . . 126.0 ?
C78 C79 H79 . . 126.0 ?
Fe7 C79 H79 . . 125.6 ?
C81 C80 C79 . . 107.9(9) ?
C81 C80 Fe7 . . 70.0(5) ?
C79 C80 Fe7 . . 69.7(5) ?
C81 C80 H80 . . 126.1 ?
C79 C80 H80 . . 126.1 ?
Fe7 C80 H80 . . 125.8 ?
C80 C81 C82 . . 108.8(9) ?
C80 C81 Fe7 . . 70.2(6) ?
C82 C81 Fe7 . . 70.0(5) ?
C80 C81 H81 . . 125.6 ?
C82 C81 H81 . . 125.6 ?
Fe7 C81 H81 . . 125.8 ?
C81 C82 C78 . . 107.7(9) ?
C81 C82 Fe7 . . 69.9(6) ?
C78 C82 Fe7 . . 69.8(5) ?
C81 C82 H82 . . 126.1 ?
C78 C82 H82 . . 126.1 ?
Fe7 C82 H82 . . 125.8 ?
C84 C83 C87 . . 105.2(8) ?
C84 C83 Si7 . . 123.6(6) ?
C87 C83 Si7 . . 130.9(7) ?
C84 C83 Fe8 . . 68.1(5) ?
C87 C83 Fe8 . . 68.3(5) ?
Si7 C83 Fe8 . . 132.1(4) ?
C85 C84 C83 . . 110.1(8) ?
C85 C84 Fe8 . . 69.6(5) ?
C83 C84 Fe8 . . 71.3(5) ?
C85 C84 H84 . . 125.0 ?
C83 C84 H84 . . 125.0 ?
Fe8 C84 H84 . . 125.7 ?
C86 C85 C84 . . 108.3(9) ?
C86 C85 Fe8 . . 70.0(6) ?
C84 C85 Fe8 . . 69.3(5) ?
C86 C85 H85 . . 125.9 ?
C84 C85 H85 . . 125.9 ?
Fe8 C85 H85 . . 126.4 ?
C85 C86 C87 . . 107.2(9) ?
C85 C86 Fe8 . . 69.9(6) ?
C87 C86 Fe8 . . 69.3(5) ?
C85 C86 H86 . . 126.4 ?
C87 C86 H86 . . 126.4 ?
Fe8 C86 H86 . . 126.0 ?
C83 C87 C86 . . 109.2(9) ?
C83 C87 Fe8 . . 70.8(5) ?
C86 C87 Fe8 . . 69.0(5) ?
C83 C87 H87 . . 125.4 ?
C86 C87 H87 . . 125.4 ?
Fe8 C87 H87 . . 126.4 ?
C92 C88 C89 . . 110.1(16) ?
C92 C88 Fe8 . . 70.9(8) ?
C89 C88 Fe8 . . 71.6(8) ?
C92 C88 H88 . . 125.0 ?
C89 C88 H88 . . 125.0 ?
Fe8 C88 H88 . . 124.2 ?
C88 C89 C90 . . 107.9(15) ?
C88 C89 Fe8 . . 68.2(7) ?
C90 C89 Fe8 . . 70.2(8) ?
C88 C89 H89 . . 126.0 ?
C90 C89 H89 . . 126.0 ?
Fe8 C89 H89 . . 127.1 ?
C89 C90 C91 . . 107.8(17) ?
C89 C90 Fe8 . . 70.1(7) ?
C91 C90 Fe8 . . 68.6(8) ?
C89 C90 H90 . . 126.1 ?
C91 C90 H90 . . 126.1 ?
Fe8 C90 H90 . . 126.7 ?
C92 C91 C90 . . 105.9(15) ?
C92 C91 Fe8 . . 69.1(8) ?
C90 C91 Fe8 . . 70.0(7) ?
C92 C91 H91 . . 127.0 ?
C90 C91 H91 . . 127.0 ?
Fe8 C91 H91 . . 125.5 ?
C88 C92 C91 . . 108.3(17) ?
C88 C92 Fe8 . . 69.6(7) ?
C91 C92 Fe8 . . 69.7(8) ?
C88 C92 H92 . . 125.9 ?
C91 C92 H92 . . 125.9 ?
Fe8 C92 H92 . . 126.4 ?
C97 C93 C94 . . 105.6(8) ?
C97 C93 Si7 . . 127.7(8) ?
C94 C93 Si7 . . 126.6(7) ?
C97 C93 Fe9 . . 68.5(5) ?
C94 C93 Fe9 . . 68.6(5) ?
Si7 C93 Fe9 . . 130.4(5) ?
C95 C94 C93 . . 111.6(10) ?
C95 C94 Fe9 . . 71.5(6) ?
C93 C94 Fe9 . . 69.9(5) ?
C95 C94 H94 . . 124.2 ?
C93 C94 H94 . . 124.2 ?
Fe9 C94 H94 . . 126.0 ?
C96 C95 C94 . . 104.8(10) ?
C96 C95 Fe9 . . 68.6(7) ?
C94 C95 Fe9 . . 67.8(6) ?
C96 C95 H95 . . 127.6 ?
C94 C95 H95 . . 127.6 ?
Fe9 C95 H95 . . 127.6 ?
C95 C96 C97 . . 111.2(10) ?
C95 C96 Fe9 . . 71.3(7) ?
C97 C96 Fe9 . . 68.7(6) ?
C95 C96 H96 . . 124.4 ?
C97 C96 H96 . . 124.4 ?
Fe9 C96 H96 . . 127.3 ?
C93 C97 C96 . . 106.9(10) ?
C93 C97 Fe9 . . 69.9(5) ?
C96 C97 Fe9 . . 69.7(6) ?
C93 C97 H97 . . 126.6 ?
C96 C97 H97 . . 126.6 ?
Fe9 C97 H97 . . 125.5 ?
C99 C98 C102 . . 108.0 ?
C99 C98 Fe9 . . 69.8(3) ?
C102 C98 Fe9 . . 69.5(4) ?
C99 C98 H98 . . 126.0 ?
C102 C98 H98 . . 126.0 ?
Fe9 C98 H98 . . 126.3 ?
C98 C99 C100 . . 108.0 ?
C98 C99 Fe9 . . 69.5(3) ?
C100 C99 Fe9 . . 69.7(3) ?
C98 C99 H99 . . 126.0 ?
C100 C99 H99 . . 126.0 ?
Fe9 C99 H99 . . 126.4 ?
C101 C100 C99 . . 108.0 ?
C101 C100 Fe9 . . 69.5(3) ?
C99 C100 Fe9 . . 69.6(4) ?
C101 C100 H100 . . 126.0 ?
C99 C100 H100 . . 126.0 ?
Fe9 C100 H100 . . 126.5 ?
C100 C101 C102 . . 108.0 ?
C100 C101 Fe9 . . 69.7(3) ?
C102 C101 Fe9 . . 69.5(3) ?
C100 C101 H101 . . 126.0 ?
C102 C101 H101 . . 126.0 ?
Fe9 C101 H101 . . 126.4 ?
C101 C102 C98 . . 108.0 ?
C101 C102 Fe9 . . 69.7(3) ?
C98 C102 Fe9 . . 69.6(4) ?
C101 C102 H102 . . 126.0 ?
C98 C102 H102 . . 126.0 ?
Fe9 C102 H102 . . 126.2 ?
Si8A C03A H06A . . 109.5 ?
Si8A C03A H06B . . 109.5 ?
H06A C03A H06B . . 109.5 ?
Si8A C03A H06C . . 109.5 ?
H06A C03A H06C . . 109.5 ?
H06B C03A H06C . . 109.5 ?
Si8A C04A H04A . . 109.5 ?
Si8A C04A H04B . . 109.5 ?
H04A C04A H04B . . 109.5 ?
Si8A C04A H04C . . 109.5 ?
H04A C04A H04C . . 109.5 ?
H04B C04A H04C . . 109.5 ?
Si8B C03B H03D . . 109.5 ?
Si8B C03B H03E . . 109.5 ?
H03D C03B H03E . . 109.5 ?
Si8B C03B H03F . . 109.5 ?
H03D C03B H03F . . 109.5 ?
H03E C03B H03F . . 109.5 ?
Si8B C04B H04D . . 109.5 ?
Si8B C04B H04E . . 109.5 ?
H04D C04B H04E . . 109.5 ?
Si8B C04B H04F . . 109.5 ?
H04D C04B H04F . . 109.5 ?
H04E C04B H04F . . 109.5 ?
C9 Fe1 C6 . . 68.6(5) ?
C9 Fe1 C12 . . 156.2(6) ?
C6 Fe1 C12 . . 124.5(6) ?
C9 Fe1 C8 . . 40.9(3) ?
C6 Fe1 C8 . . 69.7(5) ?
C12 Fe1 C8 . . 120.3(5) ?
C9 Fe1 C7 . . 67.5(5) ?
C6 Fe1 C7 . . 40.9(4) ?
C12 Fe1 C7 . . 108.1(6) ?
C8 Fe1 C7 . . 40.5(4) ?
C9 Fe1 C11 . . 161.0(5) ?
C6 Fe1 C11 . . 109.9(5) ?
C12 Fe1 C11 . . 40.5(4) ?
C8 Fe1 C11 . . 157.8(5) ?
C7 Fe1 C11 . . 124.7(6) ?
C9 Fe1 C5 . . 41.3(4) ?
C6 Fe1 C5 . . 40.6(3) ?
C12 Fe1 C5 . . 161.1(7) ?
C8 Fe1 C5 . . 69.8(4) ?
C7 Fe1 C5 . . 68.2(4) ?
C11 Fe1 C5 . . 125.2(5) ?
C9 Fe1 C14 . . 107.1(6) ?
C6 Fe1 C14 . . 160.2(5) ?
C12 Fe1 C14 . . 67.3(6) ?
C8 Fe1 C14 . . 120.6(7) ?
C7 Fe1 C14 . . 157.0(6) ?
C11 Fe1 C14 . . 67.5(5) ?
C5 Fe1 C14 . . 123.5(5) ?
C9 Fe1 C10 . . 123.6(5) ?
C6 Fe1 C10 . . 126.0(5) ?
C12 Fe1 C10 . . 67.7(5) ?
C8 Fe1 C10 . . 156.9(6) ?
C7 Fe1 C10 . . 162.2(6) ?
C11 Fe1 C10 . . 40.8(4) ?
C5 Fe1 C10 . . 109.8(4) ?
C14 Fe1 C10 . . 39.1(4) ?
C9 Fe1 C13 . . 122.0(6) ?
C6 Fe1 C13 . . 157.3(6) ?
C12 Fe1 C13 . . 38.4(5) ?
C8 Fe1 C13 . . 104.4(6) ?
C7 Fe1 C13 . . 120.7(6) ?
C11 Fe1 C13 . . 67.0(5) ?
C5 Fe1 C13 . . 159.7(6) ?
C14 Fe1 C13 . . 41.6(5) ?
C10 Fe1 C13 . . 67.5(5) ?
C16 Fe2 C22 . . 129.1(5) ?
C16 Fe2 C18 . . 68.2(4) ?
C22 Fe2 C18 . . 116.1(5) ?
C16 Fe2 C19 . . 68.4(3) ?
C22 Fe2 C19 . . 149.7(5) ?
C18 Fe2 C19 . . 41.3(3) ?
C16 Fe2 C23 . . 167.3(5) ?
C22 Fe2 C23 . . 40.4(4) ?
C18 Fe2 C23 . . 108.1(4) ?
C19 Fe2 C23 . . 117.4(4) ?
C16 Fe2 C21 . . 110.4(4) ?
C22 Fe2 C21 . . 39.8(4) ?
C18 Fe2 C21 . . 149.7(5) ?
C19 Fe2 C21 . . 168.6(5) ?
C23 Fe2 C21 . . 66.3(5) ?
C16 Fe2 C17 . . 40.7(3) ?
C22 Fe2 C17 . . 107.7(4) ?
C18 Fe2 C17 . . 39.9(3) ?
C19 Fe2 C17 . . 68.2(3) ?
C23 Fe2 C17 . . 128.9(5) ?
C21 Fe2 C17 . . 118.8(4) ?
C16 Fe2 C24 . . 151.9(4) ?
C22 Fe2 C24 . . 68.0(4) ?
C18 Fe2 C24 . . 129.0(5) ?
C19 Fe2 C24 . . 108.5(4) ?
C23 Fe2 C24 . . 39.7(4) ?
C21 Fe2 C24 . . 66.9(4) ?
C17 Fe2 C24 . . 166.3(5) ?
C16 Fe2 C15 . . 41.3(3) ?
C22 Fe2 C15 . . 167.8(6) ?
C18 Fe2 C15 . . 69.9(3) ?
C19 Fe2 C15 . . 41.3(3) ?
C23 Fe2 C15 . . 150.3(5) ?
C21 Fe2 C15 . . 130.3(5) ?
C17 Fe2 C15 . . 69.5(3) ?
C24 Fe2 C15 . . 117.5(4) ?
C16 Fe2 C20 . . 120.1(4) ?
C22 Fe2 C20 . . 68.1(4) ?
C18 Fe2 C20 . . 166.6(5) ?
C19 Fe2 C20 . . 129.1(4) ?
C23 Fe2 C20 . . 66.2(4) ?
C21 Fe2 C20 . . 40.9(4) ?
C17 Fe2 C20 . . 153.1(5) ?
C24 Fe2 C20 . . 39.0(3) ?
C15 Fe2 C20 . . 108.7(3) ?
C32 Fe3 C28 . . 118.0(6) ?
C32 Fe3 C34 . . 63.8(5) ?
C28 Fe3 C34 . . 124.7(5) ?
C32 Fe3 C33 . . 38.6(4) ?
C28 Fe3 C33 . . 105.2(5) ?
C34 Fe3 C33 . . 38.2(4) ?
C32 Fe3 C27 . . 107.5(4) ?
C28 Fe3 C27 . . 40.6(3) ?
C34 Fe3 C27 . . 159.5(5) ?
C33 Fe3 C27 . . 123.3(5) ?
C32 Fe3 C29 . . 151.9(6) ?
C28 Fe3 C29 . . 40.2(3) ?
C34 Fe3 C29 . . 110.4(4) ?
C33 Fe3 C29 . . 119.1(5) ?
C27 Fe3 C29 . . 67.8(4) ?
C32 Fe3 C26 . . 127.8(5) ?
C28 Fe3 C26 . . 68.2(4) ?
C34 Fe3 C26 . . 159.3(5) ?
C33 Fe3 C26 . . 161.5(5) ?
C27 Fe3 C26 . . 40.7(3) ?
C29 Fe3 C26 . . 67.8(3) ?
C32 Fe3 C30 . . 67.3(5) ?
C28 Fe3 C30 . . 160.5(6) ?
C34 Fe3 C30 . . 38.2(4) ?
C33 Fe3 C30 . . 66.4(5) ?
C27 Fe3 C30 . . 158.7(6) ?
C29 Fe3 C30 . . 126.7(5) ?
C26 Fe3 C30 . . 125.1(5) ?
C32 Fe3 C31 . . 39.8(6) ?
C28 Fe3 C31 . . 150.7(7) ?
C34 Fe3 C31 . . 69.0(5) ?
C33 Fe3 C31 . . 68.6(5) ?
C27 Fe3 C31 . . 117.3(6) ?
C29 Fe3 C31 . . 167.6(7) ?
C26 Fe3 C31 . . 108.1(4) ?
C30 Fe3 C31 . . 45.1(5) ?
C32 Fe3 C25 . . 165.9(5) ?
C28 Fe3 C25 . . 68.6(3) ?
C34 Fe3 C25 . . 124.3(4) ?
C33 Fe3 C25 . . 154.9(5) ?
C27 Fe3 C25 . . 68.7(3) ?
C29 Fe3 C25 . . 40.6(3) ?
C26 Fe3 C25 . . 40.7(3) ?
C30 Fe3 C25 . . 111.0(4) ?
C31 Fe3 C25 . . 128.7(6) ?
C43 Fe4 C46 . . 129.8(5) ?
C43 Fe4 C40 . . 67.8(3) ?
C46 Fe4 C40 . . 150.0(5) ?
C43 Fe4 C42 . . 40.9(3) ?
C46 Fe4 C42 . . 108.3(4) ?
C40 Fe4 C42 . . 67.8(4) ?
C43 Fe4 C47 . . 111.8(4) ?
C46 Fe4 C47 . . 40.4(4) ?
C40 Fe4 C47 . . 166.8(5) ?
C42 Fe4 C47 . . 121.2(5) ?
C43 Fe4 C45 . . 165.4(5) ?
C46 Fe4 C45 . . 39.9(4) ?
C40 Fe4 C45 . . 116.7(5) ?
C42 Fe4 C45 . . 126.1(4) ?
C47 Fe4 C45 . . 67.2(5) ?
C43 Fe4 C41 . . 67.9(4) ?
C46 Fe4 C41 . . 117.1(5) ?
C40 Fe4 C41 . . 40.5(3) ?
C42 Fe4 C41 . . 40.0(3) ?
C47 Fe4 C41 . . 152.6(5) ?
C45 Fe4 C41 . . 105.9(4) ?
C43 Fe4 C44 . . 155.4(4) ?
C46 Fe4 C44 . . 66.4(5) ?
C40 Fe4 C44 . . 107.7(4) ?
C42 Fe4 C44 . . 162.0(4) ?
C47 Fe4 C44 . . 66.8(4) ?
C45 Fe4 C44 . . 38.9(4) ?
C41 Fe4 C44 . . 125.4(5) ?
C43 Fe4 C48 . . 122.7(4) ?
C46 Fe4 C48 . . 67.5(4) ?
C40 Fe4 C48 . . 127.9(4) ?
C42 Fe4 C48 . . 156.2(5) ?
C47 Fe4 C48 . . 40.2(4) ?
C45 Fe4 C48 . . 66.7(4) ?
C41 Fe4 C48 . . 163.5(5) ?
C44 Fe4 C48 . . 39.8(3) ?
C43 Fe4 C39 . . 40.5(3) ?
C46 Fe4 C39 . . 167.8(6) ?
C40 Fe4 C39 . . 41.1(3) ?
C42 Fe4 C39 . . 68.8(3) ?
C47 Fe4 C39 . . 130.0(5) ?
C45 Fe4 C39 . . 151.4(5) ?
C41 Fe4 C39 . . 68.9(3) ?
C44 Fe4 C39 . . 120.0(4) ?
C48 Fe4 C39 . . 110.0(3) ?
C56 Fe5 C57 . . 40.6(4) ?
C56 Fe5 C50 . . 163.5(5) ?
C57 Fe5 C50 . . 155.4(4) ?
C56 Fe5 C53 . . 118.3(5) ?
C57 Fe5 C53 . . 108.1(4) ?
C50 Fe5 C53 . . 67.4(3) ?
C56 Fe5 C54 . . 67.2(5) ?
C57 Fe5 C54 . . 67.6(4) ?
C50 Fe5 C54 . . 111.0(4) ?
C53 Fe5 C54 . . 166.9(4) ?
C56 Fe5 C55 . . 40.0(4) ?
C57 Fe5 C55 . . 67.8(4) ?
C50 Fe5 C55 . . 128.0(5) ?
C53 Fe5 C55 . . 151.3(5) ?
C54 Fe5 C55 . . 40.1(4) ?
C56 Fe5 C52 . . 105.9(4) ?
C57 Fe5 C52 . . 126.0(5) ?
C50 Fe5 C52 . . 67.5(4) ?
C53 Fe5 C52 . . 40.7(3) ?
C54 Fe5 C52 . . 152.0(4) ?
C55 Fe5 C52 . . 117.1(5) ?
C56 Fe5 C51 . . 124.5(5) ?
C57 Fe5 C51 . . 162.3(5) ?
C50 Fe5 C51 . . 40.9(3) ?
C53 Fe5 C51 . . 68.2(3) ?
C54 Fe5 C51 . . 119.8(4) ?
C55 Fe5 C51 . . 106.5(4) ?
C52 Fe5 C51 . . 40.1(3) ?
C56 Fe5 C58 . . 67.6(4) ?
C57 Fe5 C58 . . 40.1(3) ?
C50 Fe5 C58 . . 122.4(4) ?
C53 Fe5 C58 . . 128.5(3) ?
C54 Fe5 C58 . . 40.4(3) ?
C55 Fe5 C58 . . 67.8(4) ?
C52 Fe5 C58 . . 164.4(4) ?
C51 Fe5 C58 . . 155.2(4) ?
C56 Fe5 C49 . . 153.0(5) ?
C57 Fe5 C49 . . 119.8(3) ?
C50 Fe5 C49 . . 40.7(3) ?
C53 Fe5 C49 . . 40.7(3) ?
C54 Fe5 C49 . . 129.5(5) ?
C55 Fe5 C49 . . 166.3(6) ?
C52 Fe5 C49 . . 68.9(3) ?
C51 Fe5 C49 . . 69.5(3) ?
C58 Fe5 C49 . . 109.9(3) ?
C68 Fe6 C65 . . 67.4(5) ?
C68 Fe6 C64 . . 41.6(4) ?
C65 Fe6 C64 . . 40.7(5) ?
C68 Fe6 C61 . . 162.3(5) ?
C65 Fe6 C61 . . 105.6(4) ?
C64 Fe6 C61 . . 122.5(5) ?
C68 Fe6 C60 . . 127.7(4) ?
C65 Fe6 C60 . . 122.0(5) ?
C64 Fe6 C60 . . 108.2(4) ?
C61 Fe6 C60 . . 41.0(3) ?
C68 Fe6 C62 . . 157.2(5) ?
C65 Fe6 C62 . . 121.4(6) ?
C64 Fe6 C62 . . 158.0(6) ?
C61 Fe6 C62 . . 40.4(3) ?
C60 Fe6 C62 . . 68.1(3) ?
C68 Fe6 C66 . . 66.1(4) ?
C65 Fe6 C66 . . 38.4(4) ?
C64 Fe6 C66 . . 67.0(5) ?
C61 Fe6 C66 . . 119.2(4) ?
C60 Fe6 C66 . . 155.2(5) ?
C62 Fe6 C66 . . 106.7(4) ?
C68 Fe6 C63 . . 124.9(4) ?
C65 Fe6 C63 . . 158.2(6) ?
C64 Fe6 C63 . . 160.4(6) ?
C61 Fe6 C63 . . 67.6(3) ?
C60 Fe6 C63 . . 67.3(3) ?
C62 Fe6 C63 . . 40.1(3) ?
C66 Fe6 C63 . . 125.2(5) ?
C68 Fe6 C67 . . 39.4(3) ?
C65 Fe6 C67 . . 65.1(4) ?
C64 Fe6 C67 . . 67.5(4) ?
C61 Fe6 C67 . . 154.0(5) ?
C60 Fe6 C67 . . 164.6(4) ?
C62 Fe6 C67 . . 121.6(4) ?
C66 Fe6 C67 . . 38.4(4) ?
C63 Fe6 C67 . . 111.4(3) ?
C68 Fe6 C59 . . 111.1(3) ?
C65 Fe6 C59 . . 158.6(6) ?
C64 Fe6 C59 . . 123.5(5) ?
C61 Fe6 C59 . . 69.1(3) ?
C60 Fe6 C59 . . 40.7(3) ?
C62 Fe6 C59 . . 68.8(3) ?
C66 Fe6 C59 . . 162.3(5) ?
C63 Fe6 C59 . . 40.6(2) ?
C67 Fe6 C59 . . 128.3(4) ?
C76 Fe7 C77 . . 41.4(3) ?
C76 Fe7 C75 . . 40.7(3) ?
C77 Fe7 C75 . . 68.1(4) ?
C76 Fe7 C79 . . 155.5(4) ?
C77 Fe7 C79 . . 162.4(3) ?
C75 Fe7 C79 . . 122.0(4) ?
C76 Fe7 C81 . . 105.7(4) ?
C77 Fe7 C81 . . 121.4(4) ?
C75 Fe7 C81 . . 123.2(4) ?
C79 Fe7 C81 . . 67.3(4) ?
C76 Fe7 C78 . . 160.8(4) ?
C77 Fe7 C78 . . 125.4(3) ?
C75 Fe7 C78 . . 158.0(5) ?
C79 Fe7 C78 . . 40.4(3) ?
C81 Fe7 C78 . . 67.5(3) ?
C76 Fe7 C82 . . 123.0(4) ?
C77 Fe7 C82 . . 108.1(4) ?
C75 Fe7 C82 . . 159.5(5) ?
C79 Fe7 C82 . . 67.7(4) ?
C81 Fe7 C82 . . 40.1(3) ?
C78 Fe7 C82 . . 40.3(3) ?
C76 Fe7 C80 . . 119.3(4) ?
C77 Fe7 C80 . . 155.7(4) ?
C75 Fe7 C80 . . 107.2(4) ?
C79 Fe7 C80 . . 40.3(3) ?
C81 Fe7 C80 . . 39.8(4) ?
C78 Fe7 C80 . . 67.8(3) ?
C82 Fe7 C80 . . 67.5(4) ?
C76 Fe7 C74 . . 68.9(4) ?
C77 Fe7 C74 . . 68.1(4) ?
C75 Fe7 C74 . . 40.3(3) ?
C79 Fe7 C74 . . 109.2(4) ?
C81 Fe7 C74 . . 159.9(4) ?
C78 Fe7 C74 . . 123.6(4) ?
C82 Fe7 C74 . . 158.8(4) ?
C80 Fe7 C74 . . 124.7(5) ?
C76 Fe7 C73 . . 70.0(3) ?
C77 Fe7 C73 . . 41.0(3) ?
C75 Fe7 C73 . . 68.7(3) ?
C79 Fe7 C73 . . 125.5(3) ?
C81 Fe7 C73 . . 157.4(4) ?
C78 Fe7 C73 . . 108.9(3) ?
C82 Fe7 C73 . . 122.5(4) ?
C80 Fe7 C73 . . 161.7(4) ?
C74 Fe7 C73 . . 40.9(3) ?
C88 Fe8 C92 . . 39.6(5) ?
C88 Fe8 C84 . . 135.7(7) ?
C92 Fe8 C84 . . 175.2(8) ?
C88 Fe8 C91 . . 68.1(6) ?
C92 Fe8 C91 . . 41.2(6) ?
C84 Fe8 C91 . . 141.5(9) ?
C88 Fe8 C85 . . 172.9(8) ?
C92 Fe8 C85 . . 143.7(9) ?
C84 Fe8 C85 . . 41.1(3) ?
C91 Fe8 C85 . . 110.8(7) ?
C88 Fe8 C86 . . 146.9(8) ?
C92 Fe8 C86 . . 115.4(7) ?
C84 Fe8 C86 . . 68.5(4) ?
C91 Fe8 C86 . . 107.9(6) ?
C85 Fe8 C86 . . 40.1(4) ?
C88 Fe8 C87 . . 117.5(6) ?
C92 Fe8 C87 . . 112.9(6) ?
C84 Fe8 C87 . . 67.9(4) ?
C91 Fe8 C87 . . 135.9(8) ?
C85 Fe8 C87 . . 68.4(4) ?
C86 Fe8 C87 . . 41.7(4) ?
C88 Fe8 C90 . . 67.5(6) ?
C92 Fe8 C90 . . 68.5(7) ?
C84 Fe8 C90 . . 111.2(7) ?
C91 Fe8 C90 . . 41.4(6) ?
C85 Fe8 C90 . . 106.9(6) ?
C86 Fe8 C90 . . 132.4(7) ?
C87 Fe8 C90 . . 174.1(7) ?
C88 Fe8 C89 . . 40.2(5) ?
C92 Fe8 C89 . . 67.4(6) ?
C84 Fe8 C89 . . 109.1(5) ?
C91 Fe8 C89 . . 68.3(6) ?
C85 Fe8 C89 . . 132.7(7) ?
C86 Fe8 C89 . . 171.2(8) ?
C87 Fe8 C89 . . 146.2(7) ?
C90 Fe8 C89 . . 39.7(5) ?
C88 Fe8 C83 . . 112.2(5) ?
C92 Fe8 C83 . . 137.0(8) ?
C84 Fe8 C83 . . 40.6(3) ?
C91 Fe8 C83 . . 176.7(9) ?
C85 Fe8 C83 . . 69.3(4) ?
C86 Fe8 C83 . . 69.9(4) ?
C87 Fe8 C83 . . 40.9(3) ?
C90 Fe8 C83 . . 141.9(8) ?
C89 Fe8 C83 . . 114.2(5) ?
C97 Fe9 C94 . . 69.2(4) ?
C97 Fe9 C96 . . 41.6(4) ?
C94 Fe9 C96 . . 67.3(4) ?
C97 Fe9 C93 . . 41.6(3) ?
C94 Fe9 C93 . . 41.5(3) ?
C96 Fe9 C93 . . 69.3(4) ?
C97 Fe9 C102 . . 123.3(6) ?
C94 Fe9 C102 . . 123.2(5) ?
C96 Fe9 C102 . . 161.0(7) ?
C93 Fe9 C102 . . 107.1(4) ?
C97 Fe9 C101 . . 107.7(4) ?
C94 Fe9 C101 . . 159.9(6) ?
C96 Fe9 C101 . . 124.4(6) ?
C93 Fe9 C101 . . 122.9(5) ?
C102 Fe9 C101 . . 40.82(15) ?
C97 Fe9 C98 . . 159.6(6) ?
C94 Fe9 C98 . . 107.0(4) ?
C96 Fe9 C98 . . 157.0(7) ?
C93 Fe9 C98 . . 122.3(5) ?
C102 Fe9 C98 . . 40.84(15) ?
C101 Fe9 C98 . . 68.67(17) ?
C97 Fe9 C100 . . 122.6(5) ?
C94 Fe9 C100 . . 157.7(6) ?
C96 Fe9 C100 . . 107.8(4) ?
C93 Fe9 C100 . . 159.4(6) ?
C102 Fe9 C100 . . 68.63(17) ?
C101 Fe9 C100 . . 40.75(15) ?
C98 Fe9 C100 . . 68.61(18) ?
C97 Fe9 C99 . . 158.4(6) ?
C94 Fe9 C99 . . 121.7(5) ?
C96 Fe9 C99 . . 121.6(6) ?
C93 Fe9 C99 . . 158.4(6) ?
C102 Fe9 C99 . . 68.66(17) ?
C101 Fe9 C99 . . 68.60(17) ?
C98 Fe9 C99 . . 40.78(16) ?
C100 Fe9 C99 . . 40.73(15) ?
C97 Fe9 C95 . . 70.2(5) ?
C94 Fe9 C95 . . 40.8(4) ?
C96 Fe9 C95 . . 40.1(4) ?
C93 Fe9 C95 . . 70.4(4) ?
C102 Fe9 C95 . . 158.0(7) ?
C101 Fe9 C95 . . 158.5(6) ?
C98 Fe9 C95 . . 120.9(6) ?
C100 Fe9 C95 . . 121.3(5) ?
C99 Fe9 C95 . . 105.2(4) ?
Si1 O1 Si2 . . 153.1(5) ?
Si1 O2 Si4 . . 140.9(4) ?
Si1 O3 Si6 . . 148.9(5) ?
Si1 O4A Si8A . . 130.2(7) ?
Si8B O4B Si1 . . 171.0(18) ?
O4B Si1 O3 . . 98.7(8) ?
O4B Si1 O1 . . 118.9(7) ?
O3 Si1 O1 . . 112.7(4) ?
O4B Si1 O2 . . 107.1(9) ?
O3 Si1 O2 . . 109.3(4) ?
O1 Si1 O2 . . 109.5(4) ?
O3 Si1 O4A . . 111.2(6) ?
O1 Si1 O4A . . 101.7(4) ?
O2 Si1 O4A . . 112.4(6) ?
O1 Si2 C2 . . 109.0(5) ?
O1 Si2 C1 . . 106.6(4) ?
C2 Si2 C1 . . 111.5(5) ?
O1 Si2 C3 . . 106.1(4) ?
C2 Si2 C3 . . 112.1(5) ?
C1 Si2 C3 . . 111.2(5) ?
C4 Si3 C25 . . 111.8(4) ?
C4 Si3 C15 . . 107.2(4) ?
C25 Si3 C15 . . 106.8(3) ?
C4 Si3 C5 . . 114.2(4) ?
C25 Si3 C5 . . 110.2(3) ?
C15 Si3 C5 . . 106.2(4) ?
O2 Si4 C36 . . 107.4(5) ?
O2 Si4 C35 . . 109.9(4) ?
C36 Si4 C35 . . 110.3(6) ?
O2 Si4 C37 . . 108.2(3) ?
C36 Si4 C37 . . 110.4(5) ?
C35 Si4 C37 . . 110.6(4) ?
C59 Si5 C49 . . 107.7(3) ?
C59 Si5 C39 . . 111.2(3) ?
C49 Si5 C39 . . 105.3(3) ?
C59 Si5 C38 . . 108.9(3) ?
C49 Si5 C38 . . 108.9(3) ?
C39 Si5 C38 . . 114.6(3) ?
O3 Si6 C69 . . 108.0(5) ?
O3 Si6 C71 . . 111.0(5) ?
C69 Si6 C71 . . 109.5(5) ?
O3 Si6 C70 . . 103.9(4) ?
C69 Si6 C70 . . 111.6(6) ?
C71 Si6 C70 . . 112.6(5) ?
C83 Si7 C73 . . 109.1(3) ?
C83 Si7 C93 . . 109.7(4) ?
C73 Si7 C93 . . 107.6(4) ?
C83 Si7 C72 . . 110.7(4) ?
C73 Si7 C72 . . 112.2(4) ?
C93 Si7 C72 . . 107.5(4) ?
O4A Si8A C03A . . 111.8(9) ?
O4A Si8A C04A . . 106.1(8) ?
C03A Si8A C04A . . 113.3(10) ?
O4A Si8A H8A . . 108.5 ?
C03A Si8A H8A . . 108.5 ?
C04A Si8A H8A . . 108.5 ?
O4B Si8B C03B . . 115.8(12) ?
O4B Si8B C04B . . 108.0(13) ?
C03B Si8B C04B . . 115.1(12) ?
O4B Si8B H8B . . 105.7 ?
C03B Si8B H8B . . 105.7 ?
C04B Si8B H8B . . 105.7 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Si2 C3 C4 Si3 . . . . -170.5(5) ?
C9 C5 C6 C7 . . . . 2.1(11) ?
Si3 C5 C6 C7 . . . . -178.9(7) ?
Fe1 C5 C6 C7 . . . . 60.3(7) ?
C9 C5 C6 Fe1 . . . . -58.2(7) ?
Si3 C5 C6 Fe1 . . . . 120.8(7) ?
C5 C6 C7 C8 . . . . -3.1(13) ?
Fe1 C6 C7 C8 . . . . 57.6(8) ?
C5 C6 C7 Fe1 . . . . -60.8(6) ?
C6 C7 C8 C9 . . . . 2.8(13) ?
Fe1 C7 C8 C9 . . . . 60.1(7) ?
C6 C7 C8 Fe1 . . . . -57.4(8) ?
C7 C8 C9 C5 . . . . -1.4(13) ?
Fe1 C8 C9 C5 . . . . 59.2(7) ?
C7 C8 C9 Fe1 . . . . -60.6(8) ?
C6 C5 C9 C8 . . . . -0.4(11) ?
Si3 C5 C9 C8 . . . . -179.5(7) ?
Fe1 C5 C9 C8 . . . . -58.9(7) ?
C6 C5 C9 Fe1 . . . . 58.5(6) ?
Si3 C5 C9 Fe1 . . . . -120.6(6) ?
C14 C10 C11 C12 . . . . -0.1(13) ?
Fe1 C10 C11 C12 . . . . -59.6(7) ?
C14 C10 C11 Fe1 . . . . 59.5(8) ?
C10 C11 C12 C13 . . . . -1.5(15) ?
Fe1 C11 C12 C13 . . . . -61.9(11) ?
C10 C11 C12 Fe1 . . . . 60.4(7) ?
C11 C12 C13 C14 . . . . 2.4(17) ?
Fe1 C12 C13 C14 . . . . -58.2(10) ?
C11 C12 C13 Fe1 . . . . 60.6(9) ?
C11 C10 C14 C13 . . . . 1.5(14) ?
Fe1 C10 C14 C13 . . . . 60.4(9) ?
C11 C10 C14 Fe1 . . . . -58.8(8) ?
C12 C13 C14 C10 . . . . -2.4(16) ?
Fe1 C13 C14 C10 . . . . -60.8(9) ?
C12 C13 C14 Fe1 . . . . 58.4(10) ?
C19 C15 C16 C17 . . . . -0.5(8) ?
Si3 C15 C16 C17 . . . . -177.6(6) ?
Fe2 C15 C16 C17 . . . . 59.1(6) ?
C19 C15 C16 Fe2 . . . . -59.6(5) ?
Si3 C15 C16 Fe2 . . . . 123.3(6) ?
C15 C16 C17 C18 . . . . -0.3(9) ?
Fe2 C16 C17 C18 . . . . 58.8(6) ?
C15 C16 C17 Fe2 . . . . -59.1(5) ?
C16 C17 C18 C19 . . . . 0.9(9) ?
Fe2 C17 C18 C19 . . . . 59.4(5) ?
C16 C17 C18 Fe2 . . . . -58.5(6) ?
C17 C18 C19 C15 . . . . -1.2(9) ?
Fe2 C18 C19 C15 . . . . 58.8(5) ?
C17 C18 C19 Fe2 . . . . -60.0(6) ?
C16 C15 C19 C18 . . . . 1.0(8) ?
Si3 C15 C19 C18 . . . . 178.4(5) ?
Fe2 C15 C19 C18 . . . . -58.5(5) ?
C16 C15 C19 Fe2 . . . . 59.5(5) ?
Si3 C15 C19 Fe2 . . . . -123.2(5) ?
C24 C20 C21 C22 . . . . 1.0(10) ?
Fe2 C20 C21 C22 . . . . -59.2(7) ?
C24 C20 C21 Fe2 . . . . 60.3(6) ?
C20 C21 C22 C23 . . . . -2.2(11) ?
Fe2 C21 C22 C23 . . . . -61.5(7) ?
C20 C21 C22 Fe2 . . . . 59.3(6) ?
C21 C22 C23 C24 . . . . 2.5(11) ?
Fe2 C22 C23 C24 . . . . -59.1(7) ?
C21 C22 C23 Fe2 . . . . 61.6(7) ?
C21 C20 C24 C23 . . . . 0.6(10) ?
Fe2 C20 C24 C23 . . . . 60.1(6) ?
C21 C20 C24 Fe2 . . . . -59.5(6) ?
C22 C23 C24 C20 . . . . -2.0(11) ?
Fe2 C23 C24 C20 . . . . -60.5(6) ?
C22 C23 C24 Fe2 . . . . 58.5(7) ?
C29 C25 C26 C27 . . . . -1.0(8) ?
Si3 C25 C26 C27 . . . . 171.3(5) ?
Fe3 C25 C26 C27 . . . . -59.3(5) ?
C29 C25 C26 Fe3 . . . . 58.3(5) ?
Si3 C25 C26 Fe3 . . . . -129.4(5) ?
C25 C26 C27 C28 . . . . 1.1(9) ?
Fe3 C26 C27 C28 . . . . -59.2(6) ?
C25 C26 C27 Fe3 . . . . 60.4(5) ?
C26 C27 C28 C29 . . . . -0.8(10) ?
Fe3 C27 C28 C29 . . . . -60.4(6) ?
C26 C27 C28 Fe3 . . . . 59.6(6) ?
C27 C28 C29 C25 . . . . 0.2(10) ?
Fe3 C28 C29 C25 . . . . -60.0(6) ?
C27 C28 C29 Fe3 . . . . 60.1(6) ?
C26 C25 C29 C28 . . . . 0.5(9) ?
Si3 C25 C29 C28 . . . . -171.6(6) ?
Fe3 C25 C29 C28 . . . . 58.8(6) ?
C26 C25 C29 Fe3 . . . . -58.4(5) ?
Si3 C25 C29 Fe3 . . . . 129.6(6) ?
C34 C30 C31 C32 . . . . -0.2(11) ?
Fe3 C30 C31 C32 . . . . 60.4(7) ?
C34 C30 C31 Fe3 . . . . -60.6(7) ?
C30 C31 C32 C33 . . . . -0.5(13) ?
Fe3 C31 C32 C33 . . . . 59.9(9) ?
C30 C31 C32 Fe3 . . . . -60.4(6) ?
C31 C32 C33 C34 . . . . 1.0(15) ?
Fe3 C32 C33 C34 . . . . 61.3(8) ?
C31 C32 C33 Fe3 . . . . -60.3(10) ?
C32 C33 C34 C30 . . . . -1.1(14) ?
Fe3 C33 C34 C30 . . . . 59.0(9) ?
C32 C33 C34 Fe3 . . . . -60.1(8) ?
C31 C30 C34 C33 . . . . 0.8(13) ?
Fe3 C30 C34 C33 . . . . -58.7(9) ?
C31 C30 C34 Fe3 . . . . 59.5(7) ?
Si4 C37 C38 Si5 . . . . -166.5(4) ?
C43 C39 C40 C41 . . . . -0.8(9) ?
Si5 C39 C40 C41 . . . . -178.5(6) ?
Fe4 C39 C40 C41 . . . . -59.5(6) ?
C43 C39 C40 Fe4 . . . . 58.7(5) ?
Si5 C39 C40 Fe4 . . . . -119.0(6) ?
C39 C40 C41 C42 . . . . 0.6(10) ?
Fe4 C40 C41 C42 . . . . -59.1(6) ?
C39 C40 C41 Fe4 . . . . 59.7(6) ?
C40 C41 C42 C43 . . . . -0.2(10) ?
Fe4 C41 C42 C43 . . . . -59.3(6) ?
C40 C41 C42 Fe4 . . . . 59.1(6) ?
C41 C42 C43 C39 . . . . -0.3(9) ?
Fe4 C42 C43 C39 . . . . -60.4(5) ?
C41 C42 C43 Fe4 . . . . 60.1(6) ?
C40 C39 C43 C42 . . . . 0.7(8) ?
Si5 C39 C43 C42 . . . . 178.5(5) ?
Fe4 C39 C43 C42 . . . . 59.5(5) ?
C40 C39 C43 Fe4 . . . . -58.9(5) ?
Si5 C39 C43 Fe4 . . . . 119.0(5) ?
C48 C44 C45 C46 . . . . 0.4(12) ?
Fe4 C44 C45 C46 . . . . 59.8(8) ?
C48 C44 C45 Fe4 . . . . -59.4(7) ?
C44 C45 C46 C47 . . . . -0.1(13) ?
Fe4 C45 C46 C47 . . . . 60.5(7) ?
C44 C45 C46 Fe4 . . . . -60.6(8) ?
C45 C46 C47 C48 . . . . -0.3(12) ?
Fe4 C46 C47 C48 . . . . 60.3(7) ?
C45 C46 C47 Fe4 . . . . -60.6(8) ?
C45 C44 C48 C47 . . . . -0.6(11) ?
Fe4 C44 C48 C47 . . . . -60.0(6) ?
C45 C44 C48 Fe4 . . . . 59.4(7) ?
C46 C47 C48 C44 . . . . 0.5(11) ?
Fe4 C47 C48 C44 . . . . 60.3(6) ?
C46 C47 C48 Fe4 . . . . -59.8(7) ?
C53 C49 C50 C51 . . . . -0.8(8) ?
Si5 C49 C50 C51 . . . . 178.8(5) ?
Fe5 C49 C50 C51 . . . . -59.6(5) ?
C53 C49 C50 Fe5 . . . . 58.8(5) ?
Si5 C49 C50 Fe5 . . . . -121.6(6) ?
C49 C50 C51 C52 . . . . 0.4(9) ?
Fe5 C50 C51 C52 . . . . -59.9(5) ?
C49 C50 C51 Fe5 . . . . 60.3(5) ?
C50 C51 C52 C53 . . . . 0.3(9) ?
Fe5 C51 C52 C53 . . . . -58.9(5) ?
C50 C51 C52 Fe5 . . . . 59.2(5) ?
C51 C52 C53 C49 . . . . -0.8(9) ?
Fe5 C52 C53 C49 . . . . -60.2(5) ?
C51 C52 C53 Fe5 . . . . 59.4(6) ?
C50 C49 C53 C52 . . . . 1.0(8) ?
Si5 C49 C53 C52 . . . . -178.7(5) ?
Fe5 C49 C53 C52 . . . . 59.4(5) ?
C50 C49 C53 Fe5 . . . . -58.4(5) ?
Si5 C49 C53 Fe5 . . . . 121.9(5) ?
C58 C54 C55 C56 . . . . -1.2(11) ?
Fe5 C54 C55 C56 . . . . 59.0(7) ?
C58 C54 C55 Fe5 . . . . -60.1(6) ?
C54 C55 C56 C57 . . . . 0.6(12) ?
Fe5 C55 C56 C57 . . . . 60.2(7) ?
C54 C55 C56 Fe5 . . . . -59.5(7) ?
C55 C56 C57 C58 . . . . 0.1(11) ?
Fe5 C56 C57 C58 . . . . 60.9(6) ?
C55 C56 C57 Fe5 . . . . -60.7(7) ?
C56 C57 C58 C54 . . . . -0.9(9) ?
Fe5 C57 C58 C54 . . . . 58.8(6) ?
C56 C57 C58 Fe5 . . . . -59.7(6) ?
C55 C54 C58 C57 . . . . 1.3(10) ?
Fe5 C54 C58 C57 . . . . -58.6(6) ?
C55 C54 C58 Fe5 . . . . 59.9(7) ?
C63 C59 C60 C61 . . . . -0.4(8) ?
Si5 C59 C60 C61 . . . . -169.6(5) ?
Fe6 C59 C60 C61 . . . . 58.7(6) ?
C63 C59 C60 Fe6 . . . . -59.1(4) ?
Si5 C59 C60 Fe6 . . . . 131.7(5) ?
C59 C60 C61 C62 . . . . 0.2(9) ?
Fe6 C60 C61 C62 . . . . 60.2(6) ?
C59 C60 C61 Fe6 . . . . -60.0(5) ?
C60 C61 C62 C63 . . . . 0.1(9) ?
Fe6 C61 C62 C63 . . . . 60.2(6) ?
C60 C61 C62 Fe6 . . . . -60.1(6) ?
C61 C62 C63 C59 . . . . -0.3(9) ?
Fe6 C62 C63 C59 . . . . 59.3(5) ?
C61 C62 C63 Fe6 . . . . -59.6(6) ?
C60 C59 C63 C62 . . . . 0.4(8) ?
Si5 C59 C63 C62 . . . . 169.5(5) ?
Fe6 C59 C63 C62 . . . . -58.4(5) ?
C60 C59 C63 Fe6 . . . . 58.8(5) ?
Si5 C59 C63 Fe6 . . . . -132.1(5) ?
C68 C64 C65 C66 . . . . 0.6(12) ?
Fe6 C64 C65 C66 . . . . -60.3(8) ?
C68 C64 C65 Fe6 . . . . 60.9(6) ?
C64 C65 C66 C67 . . . . -1.4(13) ?
Fe6 C65 C66 C67 . . . . -60.8(8) ?
C64 C65 C66 Fe6 . . . . 59.4(8) ?
C65 C66 C67 C68 . . . . 1.7(12) ?
Fe6 C66 C67 C68 . . . . -58.4(6) ?
C65 C66 C67 Fe6 . . . . 60.1(8) ?
C66 C67 C68 C64 . . . . -1.3(10) ?
Fe6 C67 C68 C64 . . . . -60.3(6) ?
C66 C67 C68 Fe6 . . . . 59.0(7) ?
C65 C64 C68 C67 . . . . 0.5(10) ?
Fe6 C64 C68 C67 . . . . 61.7(6) ?
C65 C64 C68 Fe6 . . . . -61.2(7) ?
Si6 C71 C72 Si7 . . . . 179.7(5) ?
C77 C73 C74 C75 . . . . 0.2(9) ?
Si7 C73 C74 C75 . . . . -177.6(6) ?
Fe7 C73 C74 C75 . . . . 58.7(6) ?
C77 C73 C74 Fe7 . . . . -58.5(5) ?
Si7 C73 C74 Fe7 . . . . 123.7(6) ?
C73 C74 C75 C76 . . . . -1.1(10) ?
Fe7 C74 C75 C76 . . . . 58.3(7) ?
C73 C74 C75 Fe7 . . . . -59.4(6) ?
C74 C75 C76 C77 . . . . 1.5(10) ?
Fe7 C75 C76 C77 . . . . 60.5(6) ?
C74 C75 C76 Fe7 . . . . -59.0(6) ?
C75 C76 C77 C73 . . . . -1.4(10) ?
Fe7 C76 C77 C73 . . . . 59.4(6) ?
C75 C76 C77 Fe7 . . . . -60.7(6) ?
C74 C73 C77 C76 . . . . 0.7(9) ?
Si7 C73 C77 C76 . . . . 178.6(6) ?
Fe7 C73 C77 C76 . . . . -58.2(6) ?
C74 C73 C77 Fe7 . . . . 58.9(5) ?
Si7 C73 C77 Fe7 . . . . -123.3(6) ?
C82 C78 C79 C80 . . . . -0.1(10) ?
Fe7 C78 C79 C80 . . . . -59.9(6) ?
C82 C78 C79 Fe7 . . . . 59.9(6) ?
C78 C79 C80 C81 . . . . 0.0(11) ?
Fe7 C79 C80 C81 . . . . -59.8(7) ?
C78 C79 C80 Fe7 . . . . 59.8(6) ?
C79 C80 C81 C82 . . . . 0.1(11) ?
Fe7 C80 C81 C82 . . . . -59.5(7) ?
C79 C80 C81 Fe7 . . . . 59.6(6) ?
C80 C81 C82 C78 . . . . -0.1(11) ?
Fe7 C81 C82 C78 . . . . -59.8(6) ?
C80 C81 C82 Fe7 . . . . 59.7(7) ?
C79 C78 C82 C81 . . . . 0.1(10) ?
Fe7 C78 C82 C81 . . . . 59.8(6) ?
C79 C78 C82 Fe7 . . . . -59.7(6) ?
C87 C83 C84 C85 . . . . -0.5(10) ?
Si7 C83 C84 C85 . . . . 174.1(6) ?
Fe8 C83 C84 C85 . . . . -59.0(7) ?
C87 C83 C84 Fe8 . . . . 58.5(5) ?
Si7 C83 C84 Fe8 . . . . -126.9(6) ?
C83 C84 C85 C86 . . . . 0.7(11) ?
Fe8 C84 C85 C86 . . . . -59.3(7) ?
C83 C84 C85 Fe8 . . . . 60.0(6) ?
C84 C85 C86 C87 . . . . -0.6(11) ?
Fe8 C85 C86 C87 . . . . -59.5(6) ?
C84 C85 C86 Fe8 . . . . 58.9(7) ?
C84 C83 C87 C86 . . . . 0.1(9) ?
Si7 C83 C87 C86 . . . . -174.0(6) ?
Fe8 C83 C87 C86 . . . . 58.5(6) ?
C84 C83 C87 Fe8 . . . . -58.4(6) ?
Si7 C83 C87 Fe8 . . . . 127.6(7) ?
C85 C86 C87 C83 . . . . 0.4(11) ?
Fe8 C86 C87 C83 . . . . -59.6(6) ?
C85 C86 C87 Fe8 . . . . 59.9(7) ?
C92 C88 C89 C90 . . . . -1.6(15) ?
Fe8 C88 C89 C90 . . . . 59.1(9) ?
C92 C88 C89 Fe8 . . . . -60.7(9) ?
C88 C89 C90 C91 . . . . 0.6(15) ?
Fe8 C89 C90 C91 . . . . 58.5(9) ?
C88 C89 C90 Fe8 . . . . -57.9(9) ?
C89 C90 C91 C92 . . . . 0.6(16) ?
Fe8 C90 C91 C92 . . . . 60.0(10) ?
C89 C90 C91 Fe8 . . . . -59.4(10) ?
C89 C88 C92 C91 . . . . 2.0(16) ?
Fe8 C88 C92 C91 . . . . -59.2(10) ?
C89 C88 C92 Fe8 . . . . 61.1(9) ?
C90 C91 C92 C88 . . . . -1.6(16) ?
Fe8 C91 C92 C88 . . . . 59.1(9) ?
C90 C91 C92 Fe8 . . . . -60.6(10) ?
C97 C93 C94 C95 . . . . -0.6(11) ?
Si7 C93 C94 C95 . . . . 175.4(7) ?
Fe9 C93 C94 C95 . . . . -59.4(7) ?
C97 C93 C94 Fe9 . . . . 58.8(7) ?
Si7 C93 C94 Fe9 . . . . -125.2(7) ?
C93 C94 C95 C96 . . . . -0.4(12) ?
Fe9 C94 C95 C96 . . . . -58.9(8) ?
C93 C94 C95 Fe9 . . . . 58.5(7) ?
C94 C95 C96 C97 . . . . 1.3(14) ?
Fe9 C95 C96 C97 . . . . -57.1(9) ?
C94 C95 C96 Fe9 . . . . 58.4(7) ?
C94 C93 C97 C96 . . . . 1.3(11) ?
Si7 C93 C97 C96 . . . . -174.6(7) ?
Fe9 C93 C97 C96 . . . . 60.2(8) ?
C94 C93 C97 Fe9 . . . . -58.8(6) ?
Si7 C93 C97 Fe9 . . . . 125.2(7) ?
C95 C96 C97 C93 . . . . -1.7(14) ?
Fe9 C96 C97 C93 . . . . -60.3(7) ?
C95 C96 C97 Fe9 . . . . 58.6(9) ?
C102 C98 C99 C100 . . . . 0 ?
Fe9 C98 C99 C100 . . . . 59.2(3) ?
C102 C98 C99 Fe9 . . . . -59.2(3) ?
C98 C99 C100 C101 . . . . 0 ?
Fe9 C99 C100 C101 . . . . 59.1(3) ?
C98 C99 C100 Fe9 . . . . -59.1(3) ?
C99 C100 C101 C102 . . . . 0 ?
Fe9 C100 C101 C102 . . . . 59.1(3) ?
C99 C100 C101 Fe9 . . . . -59.1(3) ?
C100 C101 C102 C98 . . . . 0 ?
Fe9 C101 C102 C98 . . . . 59.3(3) ?
C100 C101 C102 Fe9 . . . . -59.3(3) ?
C99 C98 C102 C101 . . . . 0 ?
Fe9 C98 C102 C101 . . . . -59.4(3) ?
C99 C98 C102 Fe9 . . . . 59.4(3) ?
Si6 O3 Si1 O4B . . . . 156.3(12) ?
Si6 O3 Si1 O1 . . . . -77.2(10) ?
Si6 O3 Si1 O2 . . . . 44.6(10) ?
Si6 O3 Si1 O4A . . . . 169.3(9) ?
Si2 O1 Si1 O4B . . . . 33.3(15) ?
Si2 O1 Si1 O3 . . . . -81.4(10) ?
Si2 O1 Si1 O2 . . . . 156.8(9) ?
Si2 O1 Si1 O4A . . . . 37.7(12) ?
Si4 O2 Si1 O4B . . . . 93.3(9) ?
Si4 O2 Si1 O3 . . . . -160.7(6) ?
Si4 O2 Si1 O1 . . . . -36.9(7) ?
Si4 O2 Si1 O4A . . . . 75.3(7) ?
Si8A O4A Si1 O3 . . . . -69.2(13) ?
Si8A O4A Si1 O1 . . . . 170.6(11) ?
Si8A O4A Si1 O2 . . . . 53.7(13) ?
Si1 O1 Si2 C2 . . . . 33.0(11) ?
Si1 O1 Si2 C1 . . . . 153.6(10) ?
Si1 O1 Si2 C3 . . . . -87.9(10) ?
C3 C4 Si3 C25 . . . . -82.5(9) ?
C3 C4 Si3 C15 . . . . 160.8(8) ?
C3 C4 Si3 C5 . . . . 43.4(10) ?
C29 C25 Si3 C4 . . . . -14.3(8) ?
C26 C25 Si3 C4 . . . . 175.2(6) ?
Fe3 C25 Si3 C4 . . . . 81.4(6) ?
C29 C25 Si3 C15 . . . . 102.7(7) ?
C26 C25 Si3 C15 . . . . -67.9(7) ?
Fe3 C25 Si3 C15 . . . . -161.6(5) ?
C29 C25 Si3 C5 . . . . -142.4(7) ?
C26 C25 Si3 C5 . . . . 47.1(7) ?
Fe3 C25 Si3 C5 . . . . -46.7(7) ?
C16 C15 Si3 C4 . . . . -18.8(8) ?
C19 C15 Si3 C4 . . . . 164.5(6) ?
Fe2 C15 Si3 C4 . . . . 75.2(6) ?
C16 C15 Si3 C25 . . . . -138.7(7) ?
C19 C15 Si3 C25 . . . . 44.6(7) ?
Fe2 C15 Si3 C25 . . . . -44.8(6) ?
C16 C15 Si3 C5 . . . . 103.6(7) ?
C19 C15 Si3 C5 . . . . -73.1(7) ?
Fe2 C15 Si3 C5 . . . . -162.4(5) ?
C6 C5 Si3 C4 . . . . -37.0(9) ?
C9 C5 Si3 C4 . . . . 141.9(8) ?
Fe1 C5 Si3 C4 . . . . 55.0(8) ?
C6 C5 Si3 C25 . . . . 89.8(8) ?
C9 C5 Si3 C25 . . . . -91.3(8) ?
Fe1 C5 Si3 C25 . . . . -178.2(5) ?
C6 C5 Si3 C15 . . . . -154.8(8) ?
C9 C5 Si3 C15 . . . . 24.0(8) ?
Fe1 C5 Si3 C15 . . . . -62.8(7) ?
Si1 O2 Si4 C36 . . . . -153.4(7) ?
Si1 O2 Si4 C35 . . . . -33.4(8) ?
Si1 O2 Si4 C37 . . . . 87.5(7) ?
C38 C37 Si4 O2 . . . . -179.7(6) ?
C38 C37 Si4 C36 . . . . 63.0(8) ?
C38 C37 Si4 C35 . . . . -59.3(7) ?
C63 C59 Si5 C49 . . . . -100.5(6) ?
C60 C59 Si5 C49 . . . . 66.3(7) ?
Fe6 C59 Si5 C49 . . . . 162.1(5) ?
C63 C59 Si5 C39 . . . . 144.6(6) ?
C60 C59 Si5 C39 . . . . -48.6(7) ?
Fe6 C59 Si5 C39 . . . . 47.2(6) ?
C63 C59 Si5 C38 . . . . 17.4(7) ?
C60 C59 Si5 C38 . . . . -175.8(6) ?
Fe6 C59 Si5 C38 . . . . -80.0(6) ?
C50 C49 Si5 C59 . . . . 139.8(6) ?
C53 C49 Si5 C59 . . . . -40.6(7) ?
Fe5 C49 Si5 C59 . . . . 47.6(5) ?
C50 C49 Si5 C39 . . . . -101.5(7) ?
C53 C49 Si5 C39 . . . . 78.1(6) ?
Fe5 C49 Si5 C39 . . . . 166.3(4) ?
C50 C49 Si5 C38 . . . . 21.9(7) ?
C53 C49 Si5 C38 . . . . -158.5(6) ?
Fe5 C49 Si5 C38 . . . . -70.3(5) ?
C43 C39 Si5 C59 . . . . 98.0(7) ?
C40 C39 Si5 C59 . . . . -84.7(7) ?
Fe4 C39 Si5 C59 . . . . -175.2(4) ?
C43 C39 Si5 C49 . . . . -18.3(7) ?
C40 C39 Si5 C49 . . . . 158.9(7) ?
Fe4 C39 Si5 C49 . . . . 68.5(5) ?
C43 C39 Si5 C38 . . . . -138.0(6) ?
C40 C39 Si5 C38 . . . . 39.3(8) ?
Fe4 C39 Si5 C38 . . . . -51.2(6) ?
C37 C38 Si5 C59 . . . . 63.8(7) ?
C37 C38 Si5 C49 . . . . -179.1(6) ?
C37 C38 Si5 C39 . . . . -61.4(7) ?
Si1 O3 Si6 C69 . . . . 43.9(11) ?
Si1 O3 Si6 C71 . . . . -76.2(10) ?
Si1 O3 Si6 C70 . . . . 162.5(9) ?
C72 C71 Si6 O3 . . . . -85.1(9) ?
C72 C71 Si6 C69 . . . . 155.8(9) ?
C72 C71 Si6 C70 . . . . 31.0(11) ?
C84 C83 Si7 C73 . . . . -50.9(8) ?
C87 C83 Si7 C73 . . . . 122.2(8) ?
Fe8 C83 Si7 C73 . . . . -140.7(5) ?
C84 C83 Si7 C93 . . . . 66.7(8) ?
C87 C83 Si7 C93 . . . . -120.2(8) ?
Fe8 C83 Si7 C93 . . . . -23.1(7) ?
C84 C83 Si7 C72 . . . . -174.9(7) ?
C87 C83 Si7 C72 . . . . -1.8(9) ?
Fe8 C83 Si7 C72 . . . . 95.3(6) ?
C74 C73 Si7 C83 . . . . -125.8(7) ?
C77 C73 Si7 C83 . . . . 56.9(8) ?
Fe7 C73 Si7 C83 . . . . -33.3(7) ?
C74 C73 Si7 C93 . . . . 115.3(7) ?
C77 C73 Si7 C93 . . . . -62.0(8) ?
Fe7 C73 Si7 C93 . . . . -152.2(5) ?
C74 C73 Si7 C72 . . . . -2.7(9) ?
C77 C73 Si7 C72 . . . . 179.9(7) ?
Fe7 C73 Si7 C72 . . . . 89.8(6) ?
C97 C93 Si7 C83 . . . . 99.1(9) ?
C94 C93 Si7 C83 . . . . -76.0(9) ?
Fe9 C93 Si7 C83 . . . . -168.0(6) ?
C97 C93 Si7 C73 . . . . -142.3(8) ?
C94 C93 Si7 C73 . . . . 42.5(9) ?
Fe9 C93 Si7 C73 . . . . -49.4(8) ?
C97 C93 Si7 C72 . . . . -21.3(10) ?
C94 C93 Si7 C72 . . . . 163.6(8) ?
Fe9 C93 Si7 C72 . . . . 71.6(7) ?
C71 C72 Si7 C83 . . . . 57.2(9) ?
C71 C72 Si7 C73 . . . . -64.9(9) ?
C71 C72 Si7 C93 . . . . 177.0(8) ?
Si1 O4A Si8A C03A . . . . 50.6(16) ?
Si1 O4A Si8A C04A . . . . 174.7(12) ?





