#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/44/4304419.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4304419
loop_
_publ_author_name
'Jamin L. Krinsky'
'Laura L. Anderson'
'John Arnold'
'Robert G. Bergman'
_publ_section_title
;
Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1053
_journal_page_last               1066
_journal_paper_doi               10.1021/ic701920v
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C90 H75 O5 Si5 Ta, C6 H6'
_chemical_formula_sum            'C96 H81 O5 Si5 Ta'
_chemical_formula_weight         1636.01
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.564(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.873(3)
_cell_length_b                   13.937(2)
_cell_length_c                   26.999(4)
_cell_measurement_reflns_used    2046
_cell_measurement_temperature    165(2)
_cell_measurement_theta_max      18.84
_cell_measurement_theta_min      2.53
_cell_volume                     8206(2)
_computing_cell_refinement       'Bruker SAINT v7.07B'
_computing_data_collection       'Bruker SMART v5.631'
_computing_data_reduction        'Bruker SAINT v7.07B'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      165(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0651
_diffrn_reflns_av_sigmaI/netI    0.1128
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23045
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.58
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.466
_exptl_absorpt_correction_T_max  0.7993
_exptl_absorpt_correction_T_min  0.7387
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3360
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.660
_refine_diff_density_min         -0.743
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.132(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.912
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     965
_refine_ls_number_reflns         11758
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.912
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                9832
_reflns_number_total             11758
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701920v-file006.cif
_cod_data_source_block           compound_12
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4304419
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.481544(13) 0.211883(18) 0.339617(13) 0.01788(7) Uani 1 1 d . . .
Si1 Si 0.57038(10) 0.25196(17) 0.47156(8) 0.0261(4) Uani 1 1 d . . .
Si2 Si 0.39029(10) 0.16940(16) 0.20970(8) 0.0250(5) Uani 1 1 d . . .
Si3 Si 0.37787(10) 0.06635(16) 0.37733(9) 0.0245(5) Uani 1 1 d . . .
Si4 Si 0.60536(10) 0.10595(16) 0.30993(9) 0.0234(5) Uani 1 1 d . . .
Si5 Si 0.45222(9) 0.45766(14) 0.31463(8) 0.0246(5) Uani 1 1 d . . .
O1 O 0.5279(3) 0.2360(4) 0.4119(3) 0.0284(14) Uani 1 1 d . . .
O2 O 0.4336(3) 0.1890(5) 0.2692(3) 0.0305(15) Uani 1 1 d . . .
O3 O 0.4337(2) 0.1225(4) 0.3628(2) 0.0291(13) Uani 1 1 d . . .
O4 O 0.5527(2) 0.1675(4) 0.3255(2) 0.0276(12) Uani 1 1 d . . .
O5 O 0.4611(2) 0.3433(3) 0.3303(2) 0.0257(12) Uani 1 1 d . . .
C10 C 0.6294(3) 0.3461(5) 0.4742(3) 0.0250(17) Uani 1 1 d . . .
C11 C 0.6172(4) 0.4236(6) 0.4404(4) 0.040(2) Uani 1 1 d . . .
H11A H 0.5786 0.4277 0.4143 0.048 Uiso 1 1 calc R . .
C12 C 0.6601(5) 0.4944(6) 0.4439(4) 0.052(3) Uani 1 1 d . . .
H12A H 0.6511 0.5455 0.4195 0.063 Uiso 1 1 calc R . .
C13 C 0.7156(5) 0.4933(7) 0.4820(4) 0.045(3) Uani 1 1 d . . .
H13A H 0.7442 0.5438 0.4846 0.054 Uiso 1 1 calc R . .
C14 C 0.7291(4) 0.4178(7) 0.5164(4) 0.045(2) Uani 1 1 d . . .
H14A H 0.7677 0.4155 0.5425 0.054 Uiso 1 1 calc R . .
C15 C 0.6864(4) 0.3444(7) 0.5130(3) 0.040(2) Uani 1 1 d . . .
H15A H 0.6961 0.2929 0.5372 0.048 Uiso 1 1 calc R . .
C20 C 0.5227(6) 0.2894(6) 0.5132(4) 0.040(3) Uani 1 1 d . . .
C21 C 0.5442(4) 0.3569(6) 0.5534(3) 0.043(2) Uani 1 1 d . . .
H21A H 0.5827 0.3869 0.5579 0.052 Uiso 1 1 calc R . .
C22 C 0.5108(7) 0.3810(9) 0.5865(4) 0.057(4) Uani 1 1 d . . .
H22A H 0.5277 0.4228 0.6150 0.068 Uiso 1 1 calc R . .
C23 C 0.4538(7) 0.3443(8) 0.5780(5) 0.072(4) Uani 1 1 d . . .
H23A H 0.4301 0.3636 0.5997 0.086 Uiso 1 1 calc R . .
C24 C 0.4290(5) 0.2783(7) 0.5378(5) 0.062(3) Uani 1 1 d . . .
H24A H 0.3891 0.2523 0.5321 0.075 Uiso 1 1 calc R . .
C25 C 0.4651(4) 0.2526(7) 0.5069(4) 0.040(2) Uani 1 1 d . . .
H25A H 0.4492 0.2071 0.4800 0.048 Uiso 1 1 calc R . .
C30 C 0.6127(4) 0.1391(6) 0.5007(3) 0.0332(19) Uani 1 1 d . . .
C31 C 0.6170(4) 0.1139(7) 0.5510(4) 0.053(3) Uani 1 1 d . . .
H31A H 0.5953 0.1505 0.5694 0.063 Uiso 1 1 calc R . .
C32 C 0.6520(5) 0.0372(8) 0.5756(5) 0.072(3) Uani 1 1 d . . .
H32A H 0.6539 0.0208 0.6102 0.086 Uiso 1 1 calc R . .
C33 C 0.6838(5) -0.0147(7) 0.5496(4) 0.058(3) Uani 1 1 d . . .
H33A H 0.7078 -0.0681 0.5658 0.070 Uiso 1 1 calc R . .
C34 C 0.6812(6) 0.0102(8) 0.5003(4) 0.076(4) Uani 1 1 d . . .
H34A H 0.7037 -0.0254 0.4821 0.091 Uiso 1 1 calc R . .
C35 C 0.6452(5) 0.0885(7) 0.4761(4) 0.060(3) Uani 1 1 d . . .
H35A H 0.6438 0.1057 0.4418 0.073 Uiso 1 1 calc R . .
C40 C 0.4101(4) 0.2562(6) 0.1647(3) 0.030(2) Uani 1 1 d . . .
C41 C 0.4684(5) 0.2932(6) 0.1764(5) 0.038(3) Uani 1 1 d . . .
H41A H 0.4985 0.2739 0.2075 0.045 Uiso 1 1 calc R . .
C42 C 0.4843(5) 0.3595(7) 0.1428(4) 0.050(2) Uani 1 1 d . . .
H42A H 0.5249 0.3837 0.1509 0.060 Uiso 1 1 calc R . .
C43 C 0.4412(7) 0.3878(8) 0.0994(5) 0.056(4) Uani 1 1 d . . .
H43A H 0.4519 0.4327 0.0771 0.067 Uiso 1 1 calc R . .
C44 C 0.3813(5) 0.3533(7) 0.0859(4) 0.060(3) Uani 1 1 d . . .
H44A H 0.3514 0.3738 0.0550 0.072 Uiso 1 1 calc R . .
C45 C 0.3665(5) 0.2877(6) 0.1194(3) 0.046(2) Uani 1 1 d . . .
H45A H 0.3257 0.2639 0.1111 0.055 Uiso 1 1 calc R . .
C50 C 0.3090(4) 0.1915(5) 0.2060(3) 0.0308(19) Uani 1 1 d . . .
C51 C 0.2944(4) 0.2562(6) 0.2405(4) 0.044(2) Uani 1 1 d . . .
H51A H 0.3267 0.2854 0.2670 0.053 Uiso 1 1 calc R . .
C52 C 0.2338(5) 0.2787(7) 0.2368(5) 0.060(3) Uani 1 1 d . . .
H52A H 0.2245 0.3187 0.2619 0.072 Uiso 1 1 calc R . .
C53 C 0.1873(5) 0.2413(10) 0.1955(6) 0.075(4) Uani 1 1 d . . .
H53A H 0.1461 0.2608 0.1904 0.090 Uiso 1 1 calc R . .
C54 C 0.2002(5) 0.1768(10) 0.1622(4) 0.067(3) Uani 1 1 d . . .
H54A H 0.1677 0.1497 0.1351 0.081 Uiso 1 1 calc R . .
C55 C 0.2604(4) 0.1502(7) 0.1674(4) 0.048(2) Uani 1 1 d . . .
H55A H 0.2685 0.1037 0.1446 0.058 Uiso 1 1 calc R . .
C60 C 0.4049(3) 0.0447(5) 0.1911(3) 0.0290(18) Uani 1 1 d . . .
C61 C 0.4213(4) -0.0286(6) 0.2276(4) 0.040(2) Uani 1 1 d . . .
H61A H 0.4229 -0.0158 0.2625 0.048 Uiso 1 1 calc R . .
C62 C 0.4355(5) -0.1202(7) 0.2144(4) 0.061(3) Uani 1 1 d . . .
H62A H 0.4458 -0.1694 0.2399 0.073 Uiso 1 1 calc R . .
C63 C 0.4346(6) -0.1387(7) 0.1645(5) 0.066(3) Uani 1 1 d . . .
H63A H 0.4452 -0.2007 0.1553 0.079 Uiso 1 1 calc R . .
C64 C 0.4184(5) -0.0678(8) 0.1275(4) 0.064(3) Uani 1 1 d . . .
H64A H 0.4170 -0.0819 0.0928 0.076 Uiso 1 1 calc R . .
C65 C 0.4041(4) 0.0236(6) 0.1398(3) 0.043(2) Uani 1 1 d . . .
H65A H 0.3938 0.0721 0.1139 0.052 Uiso 1 1 calc R . .
C70 C 0.4123(3) -0.0013(5) 0.4391(3) 0.0250(17) Uani 1 1 d . . .
C71 C 0.3740(4) -0.0478(6) 0.4627(3) 0.037(2) Uani 1 1 d . . .
H71A H 0.3310 -0.0378 0.4498 0.045 Uiso 1 1 calc R . .
C72 C 0.3970(4) -0.1081(6) 0.5044(3) 0.040(2) Uani 1 1 d . . .
H72A H 0.3698 -0.1389 0.5199 0.048 Uiso 1 1 calc R . .
C73 C 0.4588(5) -0.1240(6) 0.5237(3) 0.046(2) Uani 1 1 d . . .
H73A H 0.4744 -0.1664 0.5522 0.055 Uiso 1 1 calc R . .
C74 C 0.4979(4) -0.0787(7) 0.5018(4) 0.047(2) Uani 1 1 d . . .
H74A H 0.5407 -0.0899 0.5149 0.057 Uiso 1 1 calc R . .
C75 C 0.4747(4) -0.0159(6) 0.4602(3) 0.037(2) Uani 1 1 d . . .
H75A H 0.5023 0.0173 0.4461 0.045 Uiso 1 1 calc R . .
C80 C 0.3394(4) -0.0243(6) 0.3277(3) 0.0289(18) Uani 1 1 d . . .
C81 C 0.2908(4) -0.0016(6) 0.2844(3) 0.0328(19) Uani 1 1 d . . .
H81A H 0.2754 0.0621 0.2797 0.039 Uiso 1 1 calc R . .
C82 C 0.2647(4) -0.0718(7) 0.2476(4) 0.049(2) Uani 1 1 d . . .
H82A H 0.2314 -0.0549 0.2181 0.059 Uiso 1 1 calc R . .
C83 C 0.2854(4) -0.1646(7) 0.2528(3) 0.043(2) Uani 1 1 d . . .
H83A H 0.2671 -0.2114 0.2272 0.051 Uiso 1 1 calc R . .
C84 C 0.3344(4) -0.1888(6) 0.2966(4) 0.046(2) Uani 1 1 d . . .
H84A H 0.3501 -0.2523 0.3012 0.055 Uiso 1 1 calc R . .
C85 C 0.3595(4) -0.1186(6) 0.3332(3) 0.039(2) Uani 1 1 d . . .
H85A H 0.3918 -0.1359 0.3633 0.047 Uiso 1 1 calc R . .
C90 C 0.3222(4) 0.1593(6) 0.3843(3) 0.0310(19) Uani 1 1 d . . .
C91 C 0.3391(4) 0.2553(7) 0.3902(4) 0.045(2) Uani 1 1 d . . .
H91A H 0.3789 0.2727 0.3892 0.054 Uiso 1 1 calc R . .
C92 C 0.3003(5) 0.3274(7) 0.3975(4) 0.055(3) Uani 1 1 d . . .
H92A H 0.3130 0.3926 0.4007 0.065 Uiso 1 1 calc R . .
C93 C 0.2431(5) 0.3019(7) 0.4000(4) 0.058(3) Uani 1 1 d . . .
H93A H 0.2159 0.3493 0.4055 0.070 Uiso 1 1 calc R . .
C94 C 0.2258(5) 0.2075(8) 0.3944(5) 0.064(3) Uani 1 1 d . . .
H94A H 0.1867 0.1898 0.3969 0.077 Uiso 1 1 calc R . .
C95 C 0.2637(4) 0.1376(7) 0.3853(4) 0.046(2) Uani 1 1 d . . .
H95A H 0.2494 0.0733 0.3795 0.055 Uiso 1 1 calc R . .
C100 C 0.5921(4) -0.0231(6) 0.3197(3) 0.0333(19) Uani 1 1 d . . .
C101 C 0.6128(4) -0.0953(6) 0.2939(3) 0.036(2) Uani 1 1 d . . .
H10A H 0.6340 -0.0778 0.2699 0.044 Uiso 1 1 calc R . .
C102 C 0.6041(4) -0.1922(6) 0.3016(4) 0.048(2) Uani 1 1 d . . .
H10B H 0.6196 -0.2398 0.2836 0.058 Uiso 1 1 calc R . .
C103 C 0.5724(4) -0.2180(7) 0.3356(5) 0.057(3) Uani 1 1 d . . .
H10C H 0.5646 -0.2837 0.3403 0.068 Uiso 1 1 calc R . .
C104 C 0.5521(5) -0.1485(7) 0.3628(4) 0.060(3) Uani 1 1 d . . .
H10D H 0.5314 -0.1662 0.3870 0.072 Uiso 1 1 calc R . .
C105 C 0.5622(4) -0.0524(6) 0.3544(4) 0.049(2) Uani 1 1 d . . .
H10E H 0.5480 -0.0051 0.3734 0.059 Uiso 1 1 calc R . .
C110 C 0.6025(3) 0.1299(5) 0.2417(3) 0.0240(16) Uani 1 1 d . . .
C111 C 0.6351(4) 0.2057(6) 0.2294(3) 0.0329(18) Uani 1 1 d . . .
H11B H 0.6595 0.2450 0.2565 0.039 Uiso 1 1 calc R . .
C112 C 0.6332(4) 0.2252(6) 0.1791(4) 0.042(2) Uani 1 1 d . . .
H11C H 0.6558 0.2776 0.1717 0.050 Uiso 1 1 calc R . .
C113 C 0.5971(4) 0.1665(7) 0.1384(3) 0.044(2) Uani 1 1 d . . .
H11D H 0.5957 0.1786 0.1034 0.053 Uiso 1 1 calc R . .
C114 C 0.5645(4) 0.0929(7) 0.1497(3) 0.045(2) Uani 1 1 d . . .
H11E H 0.5404 0.0538 0.1223 0.053 Uiso 1 1 calc R . .
C115 C 0.5656(4) 0.0735(6) 0.2000(3) 0.0327(19) Uani 1 1 d . . .
H11F H 0.5416 0.0224 0.2068 0.039 Uiso 1 1 calc R . .
C120 C 0.6802(3) 0.1460(5) 0.3543(3) 0.0295(18) Uani 1 1 d . . .
C121 C 0.6903(4) 0.2403(6) 0.3727(4) 0.041(2) Uani 1 1 d . . .
H12B H 0.6574 0.2848 0.3626 0.049 Uiso 1 1 calc R . .
C122 C 0.7460(4) 0.2712(6) 0.4049(4) 0.047(3) Uani 1 1 d . . .
H12C H 0.7510 0.3354 0.4172 0.057 Uiso 1 1 calc R . .
C123 C 0.7933(4) 0.2086(7) 0.4187(3) 0.042(2) Uani 1 1 d . . .
H12D H 0.8320 0.2296 0.4405 0.051 Uiso 1 1 calc R . .
C124 C 0.7866(4) 0.1154(6) 0.4018(4) 0.047(2) Uani 1 1 d . . .
H12E H 0.8203 0.0724 0.4120 0.057 Uiso 1 1 calc R . .
C125 C 0.7302(4) 0.0842(6) 0.3698(3) 0.038(2) Uani 1 1 d . . .
H12F H 0.7257 0.0195 0.3582 0.046 Uiso 1 1 calc R . .
C130 C 0.4570(3) 0.5260(6) 0.3755(3) 0.0238(18) Uani 1 1 d . . .
C131 C 0.4541(4) 0.4772(6) 0.4200(3) 0.030(2) Uani 1 1 d . . .
H13B H 0.4527 0.4091 0.4201 0.037 Uiso 1 1 calc R . .
C132 C 0.4533(4) 0.5287(6) 0.4644(3) 0.038(2) Uani 1 1 d . . .
H13C H 0.4499 0.4952 0.4940 0.046 Uiso 1 1 calc R . .
C133 C 0.4573(4) 0.6256(6) 0.4655(3) 0.037(2) Uani 1 1 d . . .
H13D H 0.4579 0.6597 0.4961 0.044 Uiso 1 1 calc R . .
C134 C 0.4604(4) 0.6749(6) 0.4217(3) 0.034(2) Uani 1 1 d . . .
H13E H 0.4630 0.7430 0.4225 0.041 Uiso 1 1 calc R . .
C135 C 0.4598(3) 0.6260(6) 0.3770(3) 0.0305(18) Uani 1 1 d . . .
H13F H 0.4612 0.6607 0.3471 0.037 Uiso 1 1 calc R . .
C140 C 0.5142(4) 0.4933(5) 0.2860(3) 0.0239(19) Uani 1 1 d . . .
C141 C 0.5082(4) 0.5693(6) 0.2519(3) 0.038(2) Uani 1 1 d . . .
H14B H 0.4710 0.6048 0.2423 0.046 Uiso 1 1 calc R . .
C142 C 0.5543(5) 0.5956(7) 0.2314(4) 0.045(2) Uani 1 1 d . . .
H14C H 0.5486 0.6479 0.2079 0.054 Uiso 1 1 calc R . .
C143 C 0.6078(5) 0.5459(7) 0.2452(4) 0.050(3) Uani 1 1 d . . .
H14D H 0.6403 0.5649 0.2323 0.060 Uiso 1 1 calc R . .
C144 C 0.6151(4) 0.4672(7) 0.2780(4) 0.053(3) Uani 1 1 d . . .
H14E H 0.6518 0.4307 0.2862 0.064 Uiso 1 1 calc R . .
C145 C 0.5693(4) 0.4421(6) 0.2986(4) 0.042(2) Uani 1 1 d . . .
H14F H 0.5751 0.3892 0.3218 0.050 Uiso 1 1 calc R . .
C150 C 0.3757(4) 0.4846(5) 0.2667(3) 0.0308(18) Uani 1 1 d . . .
C151 C 0.3294(4) 0.5239(6) 0.2845(4) 0.039(2) Uani 1 1 d . . .
H15B H 0.3362 0.5311 0.3208 0.047 Uiso 1 1 calc R . .
C152 C 0.2743(4) 0.5524(7) 0.2504(4) 0.054(3) Uani 1 1 d . . .
H15C H 0.2431 0.5788 0.2630 0.065 Uiso 1 1 calc R . .
C153 C 0.2650(5) 0.5422(9) 0.1981(5) 0.069(4) Uani 1 1 d . . .
H15D H 0.2274 0.5627 0.1743 0.083 Uiso 1 1 calc R . .
C154 C 0.3094(5) 0.5026(8) 0.1795(4) 0.068(3) Uani 1 1 d . . .
H15E H 0.3022 0.4947 0.1432 0.082 Uiso 1 1 calc R . .
C155 C 0.3650(4) 0.4743(6) 0.2143(3) 0.044(2) Uani 1 1 d . . .
H15F H 0.3958 0.4474 0.2016 0.052 Uiso 1 1 calc R . .
C160 C 0.7443(11) 0.7004(14) 0.5732(9) 0.128(7) Uani 1 1 d . . .
H16A H 0.7841 0.7272 0.5803 0.154 Uiso 1 1 calc R . .
C161 C 0.7326(8) 0.6304(12) 0.6026(5) 0.087(4) Uani 1 1 d . . .
H16B H 0.7651 0.6067 0.6309 0.105 Uiso 1 1 calc R . .
C162 C 0.6781(9) 0.5933(11) 0.5938(6) 0.091(4) Uani 1 1 d . . .
H16C H 0.6722 0.5432 0.6156 0.109 Uiso 1 1 calc R . .
C163 C 0.6298(9) 0.6243(17) 0.5545(8) 0.135(8) Uani 1 1 d . . .
H16D H 0.5902 0.5986 0.5502 0.162 Uiso 1 1 calc R . .
C164 C 0.6377(15) 0.6901(15) 0.5221(9) 0.161(12) Uani 1 1 d . . .
H16E H 0.6046 0.7080 0.4928 0.193 Uiso 1 1 calc R . .
C165 C 0.6946(17) 0.7332(11) 0.5310(9) 0.162(13) Uani 1 1 d . . .
H16F H 0.7002 0.7838 0.5093 0.194 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Ta1 O3 118.2(3) . . ?
O4 Ta1 O5 119.1(2) . . ?
O3 Ta1 O5 122.7(2) . . ?
O4 Ta1 O2 90.9(3) . . ?
O3 Ta1 O2 90.3(3) . . ?
O5 Ta1 O2 89.1(2) . . ?
O4 Ta1 O1 91.0(3) . . ?
O3 Ta1 O1 88.6(3) . . ?
O5 Ta1 O1 90.3(2) . . ?
O2 Ta1 O1 178.1(4) . . ?
O1 Si1 C20 110.6(5) . . ?
O1 Si1 C10 110.1(3) . . ?
C20 Si1 C10 109.1(4) . . ?
O1 Si1 C30 112.1(4) . . ?
C20 Si1 C30 107.6(4) . . ?
C10 Si1 C30 107.2(4) . . ?
O2 Si2 C50 109.0(4) . . ?
O2 Si2 C40 109.6(4) . . ?
C50 Si2 C40 107.1(4) . . ?
O2 Si2 C60 108.3(3) . . ?
C50 Si2 C60 113.4(3) . . ?
C40 Si2 C60 109.3(4) . . ?
O3 Si3 C80 112.7(3) . . ?
O3 Si3 C90 107.2(3) . . ?
C80 Si3 C90 110.8(4) . . ?
O3 Si3 C70 107.7(3) . . ?
C80 Si3 C70 106.3(3) . . ?
C90 Si3 C70 112.1(4) . . ?
O4 Si4 C110 110.7(3) . . ?
O4 Si4 C120 106.5(3) . . ?
C110 Si4 C120 109.7(3) . . ?
O4 Si4 C100 107.9(3) . . ?
C110 Si4 C100 110.9(4) . . ?
C120 Si4 C100 111.0(4) . . ?
O5 Si5 C150 112.8(3) . . ?
O5 Si5 C130 107.3(3) . . ?
C150 Si5 C130 107.4(3) . . ?
O5 Si5 C140 108.2(3) . . ?
C150 Si5 C140 109.1(4) . . ?
C130 Si5 C140 112.1(4) . . ?
Si1 O1 Ta1 176.1(5) . . ?
Si2 O2 Ta1 177.7(5) . . ?
Si3 O3 Ta1 164.7(4) . . ?
Si4 O4 Ta1 166.7(4) . . ?
Si5 O5 Ta1 168.5(4) . . ?
C11 C10 C15 117.4(7) . . ?
C11 C10 Si1 121.5(6) . . ?
C15 C10 Si1 121.0(6) . . ?
C12 C11 C10 121.1(9) . . ?
C13 C12 C11 121.6(9) . . ?
C12 C13 C14 118.9(9) . . ?
C13 C14 C15 120.4(9) . . ?
C14 C15 C10 120.6(8) . . ?
C25 C20 C21 116.3(11) . . ?
C25 C20 Si1 122.3(8) . . ?
C21 C20 Si1 121.4(9) . . ?
C22 C21 C20 121.9(11) . . ?
C23 C22 C21 119.4(12) . . ?
C22 C23 C24 121.4(10) . . ?
C25 C24 C23 117.4(11) . . ?
C20 C25 C24 123.4(11) . . ?
C35 C30 C31 118.0(8) . . ?
C35 C30 Si1 121.7(7) . . ?
C31 C30 Si1 119.8(7) . . ?
C30 C31 C32 122.0(10) . . ?
C33 C32 C31 119.1(10) . . ?
C34 C33 C32 119.8(9) . . ?
C33 C34 C35 120.0(10) . . ?
C30 C35 C34 121.1(10) . . ?
C41 C40 C45 118.0(9) . . ?
C41 C40 Si2 120.3(8) . . ?
C45 C40 Si2 121.7(7) . . ?
C40 C41 C42 121.1(11) . . ?
C43 C42 C41 119.2(10) . . ?
C42 C43 C44 122.1(10) . . ?
C43 C44 C45 118.0(10) . . ?
C44 C45 C40 121.6(9) . . ?
C55 C50 C51 117.6(8) . . ?
C55 C50 Si2 122.0(7) . . ?
C51 C50 Si2 120.3(6) . . ?
C52 C51 C50 121.7(9) . . ?
C53 C52 C51 118.5(11) . . ?
C54 C53 C52 120.6(10) . . ?
C53 C54 C55 120.9(10) . . ?
C54 C55 C50 120.4(10) . . ?
C61 C60 C65 117.5(7) . . ?
C61 C60 Si2 121.8(6) . . ?
C65 C60 Si2 120.5(6) . . ?
C62 C61 C60 121.9(9) . . ?
C63 C62 C61 119.5(10) . . ?
C62 C63 C64 120.0(10) . . ?
C63 C64 C65 121.4(9) . . ?
C64 C65 C60 119.6(9) . . ?
C75 C70 C71 117.3(7) . . ?
C75 C70 Si3 123.0(6) . . ?
C71 C70 Si3 119.4(6) . . ?
C72 C71 C70 121.5(8) . . ?
C73 C72 C71 120.5(8) . . ?
C74 C73 C72 119.6(8) . . ?
C73 C74 C75 120.0(9) . . ?
C70 C75 C74 121.0(7) . . ?
C81 C80 C85 117.6(7) . . ?
C81 C80 Si3 122.5(6) . . ?
C85 C80 Si3 119.9(6) . . ?
C80 C81 C82 120.3(8) . . ?
C83 C82 C81 121.9(8) . . ?
C82 C83 C84 118.5(8) . . ?
C85 C84 C83 119.0(8) . . ?
C84 C85 C80 122.7(8) . . ?
C95 C90 C91 116.5(8) . . ?
C95 C90 Si3 123.0(7) . . ?
C91 C90 Si3 120.5(6) . . ?
C90 C91 C92 123.0(9) . . ?
C93 C92 C91 118.4(9) . . ?
C94 C93 C92 119.3(9) . . ?
C93 C94 C95 121.6(9) . . ?
C94 C95 C90 121.1(9) . . ?
C105 C100 C101 116.2(8) . . ?
C105 C100 Si4 121.3(7) . . ?
C101 C100 Si4 122.6(6) . . ?
C100 C101 C102 123.1(8) . . ?
C103 C102 C101 118.7(9) . . ?
C102 C103 C104 120.1(9) . . ?
C103 C104 C105 119.5(9) . . ?
C100 C105 C104 122.5(9) . . ?
C111 C110 C115 117.6(7) . . ?
C111 C110 Si4 120.9(6) . . ?
C115 C110 Si4 121.5(6) . . ?
C112 C111 C110 121.9(8) . . ?
C111 C112 C113 119.3(8) . . ?
C114 C113 C112 119.5(8) . . ?
C113 C114 C115 121.6(8) . . ?
C114 C115 C110 120.1(8) . . ?
C125 C120 C121 116.2(7) . . ?
C125 C120 Si4 121.5(6) . . ?
C121 C120 Si4 122.3(6) . . ?
C122 C121 C120 122.8(8) . . ?
C123 C122 C121 118.9(8) . . ?
C122 C123 C124 121.3(8) . . ?
C123 C124 C125 119.6(8) . . ?
C124 C125 C120 121.3(8) . . ?
C135 C130 C131 118.3(8) . . ?
C135 C130 Si5 121.6(6) . . ?
C131 C130 Si5 120.0(6) . . ?
C130 C131 C132 120.1(8) . . ?
C133 C132 C131 120.7(8) . . ?
C132 C133 C134 119.8(8) . . ?
C135 C134 C133 120.6(8) . . ?
C134 C135 C130 120.4(8) . . ?
C141 C140 C145 117.1(8) . . ?
C141 C140 Si5 122.8(7) . . ?
C145 C140 Si5 120.1(6) . . ?
C142 C141 C140 122.4(9) . . ?
C143 C142 C141 119.3(9) . . ?
C142 C143 C144 120.2(9) . . ?
C145 C144 C143 120.1(9) . . ?
C144 C145 C140 120.8(8) . . ?
C155 C150 C151 118.5(8) . . ?
C155 C150 Si5 122.2(6) . . ?
C151 C150 Si5 119.2(6) . . ?
C152 C151 C150 121.3(9) . . ?
C153 C152 C151 118.9(10) . . ?
C152 C153 C154 121.0(9) . . ?
C153 C154 C155 119.4(10) . . ?
C150 C155 C154 120.8(9) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O4 1.884(5) . ?
Ta1 O3 1.886(5) . ?
Ta1 O5 1.889(5) . ?
Ta1 O2 1.914(7) . ?
Ta1 O1 1.949(6) . ?
Si1 O1 1.625(7) . ?
Si1 C20 1.862(14) . ?
Si1 C10 1.867(8) . ?
Si1 C30 1.890(8) . ?
Si2 O2 1.635(7) . ?
Si2 C50 1.858(8) . ?
Si2 C40 1.864(9) . ?
Si2 C60 1.866(8) . ?
Si3 O3 1.643(5) . ?
Si3 C80 1.859(8) . ?
Si3 C90 1.864(8) . ?
Si3 C70 1.871(8) . ?
Si4 O4 1.634(6) . ?
Si4 C110 1.854(8) . ?
Si4 C120 1.854(8) . ?
Si4 C100 1.856(8) . ?
Si5 O5 1.645(5) . ?
Si5 C150 1.873(8) . ?
Si5 C130 1.874(8) . ?
Si5 C140 1.876(9) . ?
C10 C11 1.388(11) . ?
C10 C15 1.406(10) . ?
C11 C12 1.375(12) . ?
C12 C13 1.372(14) . ?
C13 C14 1.374(14) . ?
C14 C15 1.397(11) . ?
C20 C25 1.377(14) . ?
C20 C21 1.408(13) . ?
C21 C22 1.380(14) . ?
C22 C23 1.355(17) . ?
C23 C24 1.405(16) . ?
C24 C25 1.386(13) . ?
C30 C35 1.336(12) . ?
C30 C31 1.378(11) . ?
C31 C32 1.379(13) . ?
C32 C33 1.362(15) . ?
C33 C34 1.359(15) . ?
C34 C35 1.403(14) . ?
C40 C41 1.375(13) . ?
C40 C45 1.397(12) . ?
C41 C42 1.417(14) . ?
C42 C43 1.343(16) . ?
C43 C44 1.393(16) . ?
C44 C45 1.396(13) . ?
C50 C55 1.398(12) . ?
C50 C51 1.405(12) . ?
C51 C52 1.396(13) . ?
C52 C53 1.389(17) . ?
C53 C54 1.366(17) . ?
C54 C55 1.390(14) . ?
C60 C61 1.390(12) . ?
C60 C65 1.410(11) . ?
C61 C62 1.389(12) . ?
C62 C63 1.366(14) . ?
C63 C64 1.373(15) . ?
C64 C65 1.381(13) . ?
C70 C75 1.384(11) . ?
C70 C71 1.390(10) . ?
C71 C72 1.374(11) . ?
C72 C73 1.369(13) . ?
C73 C74 1.367(13) . ?
C74 C75 1.396(12) . ?
C80 C81 1.385(11) . ?
C80 C85 1.385(11) . ?
C81 C82 1.395(12) . ?
C82 C83 1.370(13) . ?
C83 C84 1.404(12) . ?
C84 C85 1.385(12) . ?
C90 C95 1.380(11) . ?
C90 C91 1.389(12) . ?
C91 C92 1.394(13) . ?
C92 C93 1.377(13) . ?
C93 C94 1.369(13) . ?
C94 C95 1.375(13) . ?
C100 C105 1.379(12) . ?
C100 C101 1.385(11) . ?
C101 C102 1.389(11) . ?
C102 C103 1.377(14) . ?
C103 C104 1.378(14) . ?
C104 C105 1.388(13) . ?
C110 C111 1.391(10) . ?
C110 C115 1.423(10) . ?
C111 C112 1.371(11) . ?
C112 C113 1.420(13) . ?
C113 C114 1.355(12) . ?
C114 C115 1.378(11) . ?
C120 C125 1.391(11) . ?
C120 C121 1.400(11) . ?
C121 C122 1.375(12) . ?
C122 C123 1.354(12) . ?
C123 C124 1.369(12) . ?
C124 C125 1.388(11) . ?
C130 C135 1.395(11) . ?
C130 C131 1.398(11) . ?
C131 C132 1.403(11) . ?
C132 C133 1.353(12) . ?
C133 C134 1.387(11) . ?
C134 C135 1.383(11) . ?
C140 C141 1.383(11) . ?
C140 C145 1.397(12) . ?
C141 C142 1.379(12) . ?
C142 C143 1.357(13) . ?
C143 C144 1.389(13) . ?
C144 C145 1.371(12) . ?
C150 C155 1.367(11) . ?
C150 C151 1.399(11) . ?
C151 C152 1.376(12) . ?
C152 C153 1.370(15) . ?
C153 C154 1.377(15) . ?
C154 C155 1.390(12) . ?
C160 C161 1.33(2) . ?
C160 C165 1.42(3) . ?
C161 C162 1.302(18) . ?
C162 C163 1.35(2) . ?
C163 C164 1.32(3) . ?
C164 C165 1.39(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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C80 Si3 O3 Ta1 98.1(14) . . . . ?
C90 Si3 O3 Ta1 -24.1(15) . . . . ?
C70 Si3 O3 Ta1 -145.0(14) . . . . ?
O4 Ta1 O3 Si3 -158.8(13) . . . . ?
O5 Ta1 O3 Si3 21.4(15) . . . . ?
O2 Ta1 O3 Si3 -67.7(14) . . . . ?
O1 Ta1 O3 Si3 110.8(14) . . . . ?
C110 Si4 O4 Ta1 96.3(16) . . . . ?
C120 Si4 O4 Ta1 -144.6(15) . . . . ?
C100 Si4 O4 Ta1 -25.3(17) . . . . ?
O3 Ta1 O4 Si4 30.2(17) . . . . ?
O5 Ta1 O4 Si4 -150.1(15) . . . . ?
O2 Ta1 O4 Si4 -60.6(16) . . . . ?
O1 Ta1 O4 Si4 119.1(16) . . . . ?
C150 Si5 O5 Ta1 105.3(16) . . . . ?
C130 Si5 O5 Ta1 -136.6(15) . . . . ?
C140 Si5 O5 Ta1 -15.5(17) . . . . ?
O4 Ta1 O5 Si5 20.4(17) . . . . ?
O3 Ta1 O5 Si5 -159.9(15) . . . . ?
O2 Ta1 O5 Si5 -70.1(16) . . . . ?
O1 Ta1 O5 Si5 111.6(16) . . . . ?
O1 Si1 C10 C11 33.6(8) . . . . ?
C20 Si1 C10 C11 -88.0(8) . . . . ?
C30 Si1 C10 C11 155.8(7) . . . . ?
O1 Si1 C10 C15 -150.7(6) . . . . ?
C20 Si1 C10 C15 87.7(7) . . . . ?
C30 Si1 C10 C15 -28.5(7) . . . . ?
C15 C10 C11 C12 1.6(13) . . . . ?
Si1 C10 C11 C12 177.4(6) . . . . ?
C10 C11 C12 C13 -2.2(15) . . . . ?
C11 C12 C13 C14 1.9(15) . . . . ?
C12 C13 C14 C15 -1.1(14) . . . . ?
C13 C14 C15 C10 0.6(13) . . . . ?
C11 C10 C15 C14 -0.9(12) . . . . ?
Si1 C10 C15 C14 -176.7(7) . . . . ?
O1 Si1 C20 C25 37.6(9) . . . . ?
C10 Si1 C20 C25 159.0(8) . . . . ?
C30 Si1 C20 C25 -85.1(9) . . . . ?
O1 Si1 C20 C21 -142.8(8) . . . . ?
C10 Si1 C20 C21 -21.5(9) . . . . ?
C30 Si1 C20 C21 94.5(8) . . . . ?
C25 C20 C21 C22 3.5(14) . . . . ?
Si1 C20 C21 C22 -176.1(8) . . . . ?
C20 C21 C22 C23 -5.1(16) . . . . ?
C21 C22 C23 C24 3.4(17) . . . . ?
C22 C23 C24 C25 -0.4(16) . . . . ?
C21 C20 C25 C24 -0.4(15) . . . . ?
Si1 C20 C25 C24 179.2(8) . . . . ?
C23 C24 C25 C20 -1.1(15) . . . . ?
O1 Si1 C30 C35 50.1(9) . . . . ?
C20 Si1 C30 C35 172.0(8) . . . . ?
C10 Si1 C30 C35 -70.8(9) . . . . ?
O1 Si1 C30 C31 -138.1(7) . . . . ?
C20 Si1 C30 C31 -16.3(9) . . . . ?
C10 Si1 C30 C31 101.0(8) . . . . ?
C35 C30 C31 C32 -2.0(16) . . . . ?
Si1 C30 C31 C32 -174.0(9) . . . . ?
C30 C31 C32 C33 0.7(18) . . . . ?
C31 C32 C33 C34 0.6(19) . . . . ?
C32 C33 C34 C35 -0.7(19) . . . . ?
C31 C30 C35 C34 1.8(16) . . . . ?
Si1 C30 C35 C34 173.8(9) . . . . ?
C33 C34 C35 C30 -0.5(19) . . . . ?
O2 Si2 C40 C41 28.4(9) . . . . ?
C50 Si2 C40 C41 146.5(8) . . . . ?
C60 Si2 C40 C41 -90.2(8) . . . . ?
O2 Si2 C40 C45 -149.8(7) . . . . ?
C50 Si2 C40 C45 -31.7(8) . . . . ?
C60 Si2 C40 C45 91.5(8) . . . . ?
C45 C40 C41 C42 -1.5(15) . . . . ?
Si2 C40 C41 C42 -179.8(7) . . . . ?
C40 C41 C42 C43 1.1(16) . . . . ?
C41 C42 C43 C44 -0.5(16) . . . . ?
C42 C43 C44 C45 0.3(17) . . . . ?
C43 C44 C45 C40 -0.7(15) . . . . ?
C41 C40 C45 C44 1.2(15) . . . . ?
Si2 C40 C45 C44 179.5(7) . . . . ?
O2 Si2 C50 C55 -157.1(7) . . . . ?
C40 Si2 C50 C55 84.4(8) . . . . ?
C60 Si2 C50 C55 -36.3(8) . . . . ?
O2 Si2 C50 C51 27.2(8) . . . . ?
C40 Si2 C50 C51 -91.3(7) . . . . ?
C60 Si2 C50 C51 148.0(7) . . . . ?
C55 C50 C51 C52 0.2(13) . . . . ?
Si2 C50 C51 C52 176.1(7) . . . . ?
C50 C51 C52 C53 -4.9(15) . . . . ?
C51 C52 C53 C54 6.2(17) . . . . ?
C52 C53 C54 C55 -2.9(18) . . . . ?
C53 C54 C55 C50 -2.0(16) . . . . ?
C51 C50 C55 C54 3.2(13) . . . . ?
Si2 C50 C55 C54 -172.6(7) . . . . ?
O2 Si2 C60 C61 30.9(7) . . . . ?
C50 Si2 C60 C61 -90.2(7) . . . . ?
C40 Si2 C60 C61 150.4(7) . . . . ?
O2 Si2 C60 C65 -144.2(7) . . . . ?
C50 Si2 C60 C65 94.6(7) . . . . ?
C40 Si2 C60 C65 -24.8(8) . . . . ?
C65 C60 C61 C62 -1.1(12) . . . . ?
Si2 C60 C61 C62 -176.4(7) . . . . ?
C60 C61 C62 C63 1.3(15) . . . . ?
C61 C62 C63 C64 -1.5(17) . . . . ?
C62 C63 C64 C65 1.5(18) . . . . ?
C63 C64 C65 C60 -1.2(16) . . . . ?
C61 C60 C65 C64 1.0(13) . . . . ?
Si2 C60 C65 C64 176.4(7) . . . . ?
O3 Si3 C70 C75 -13.0(8) . . . . ?
C80 Si3 C70 C75 108.0(7) . . . . ?
C90 Si3 C70 C75 -130.7(7) . . . . ?
O3 Si3 C70 C71 173.9(6) . . . . ?
C80 Si3 C70 C71 -65.1(7) . . . . ?
C90 Si3 C70 C71 56.1(7) . . . . ?
C75 C70 C71 C72 -1.8(12) . . . . ?
Si3 C70 C71 C72 171.8(7) . . . . ?
C70 C71 C72 C73 -0.2(13) . . . . ?
C71 C72 C73 C74 0.8(14) . . . . ?
C72 C73 C74 C75 0.5(14) . . . . ?
C71 C70 C75 C74 3.1(12) . . . . ?
Si3 C70 C75 C74 -170.2(7) . . . . ?
C73 C74 C75 C70 -2.5(14) . . . . ?
O3 Si3 C80 C81 -87.4(7) . . . . ?
C90 Si3 C80 C81 32.8(8) . . . . ?
C70 Si3 C80 C81 154.9(6) . . . . ?
O3 Si3 C80 C85 92.0(7) . . . . ?
C90 Si3 C80 C85 -147.8(7) . . . . ?
C70 Si3 C80 C85 -25.8(8) . . . . ?
C85 C80 C81 C82 -1.2(12) . . . . ?
Si3 C80 C81 C82 178.2(6) . . . . ?
C80 C81 C82 C83 0.1(14) . . . . ?
C81 C82 C83 C84 0.2(14) . . . . ?
C82 C83 C84 C85 0.6(14) . . . . ?
C83 C84 C85 C80 -1.8(14) . . . . ?
C81 C80 C85 C84 2.1(13) . . . . ?
Si3 C80 C85 C84 -177.3(7) . . . . ?
O3 Si3 C90 C95 165.6(7) . . . . ?
C80 Si3 C90 C95 42.2(8) . . . . ?
C70 Si3 C90 C95 -76.3(8) . . . . ?
O3 Si3 C90 C91 -16.2(8) . . . . ?
C80 Si3 C90 C91 -139.5(7) . . . . ?
C70 Si3 C90 C91 101.9(7) . . . . ?
C95 C90 C91 C92 0.8(13) . . . . ?
Si3 C90 C91 C92 -177.5(8) . . . . ?
C90 C91 C92 C93 1.3(15) . . . . ?
C91 C92 C93 C94 -1.0(16) . . . . ?
C92 C93 C94 C95 -1.4(17) . . . . ?
C93 C94 C95 C90 3.7(17) . . . . ?
C91 C90 C95 C94 -3.3(13) . . . . ?
Si3 C90 C95 C94 175.0(8) . . . . ?
O4 Si4 C100 C105 -25.3(8) . . . . ?
C110 Si4 C100 C105 -146.8(7) . . . . ?
C120 Si4 C100 C105 91.0(8) . . . . ?
O4 Si4 C100 C101 156.5(7) . . . . ?
C110 Si4 C100 C101 35.0(8) . . . . ?
C120 Si4 C100 C101 -87.1(8) . . . . ?
C105 C100 C101 C102 0.6(13) . . . . ?
Si4 C100 C101 C102 178.9(7) . . . . ?
C100 C101 C102 C103 1.1(15) . . . . ?
C101 C102 C103 C104 -2.4(15) . . . . ?
C102 C103 C104 C105 1.9(16) . . . . ?
C101 C100 C105 C104 -1.2(14) . . . . ?
Si4 C100 C105 C104 -179.5(8) . . . . ?
C103 C104 C105 C100 -0.1(16) . . . . ?
O4 Si4 C110 C111 88.0(6) . . . . ?
C120 Si4 C110 C111 -29.2(7) . . . . ?
C100 Si4 C110 C111 -152.2(6) . . . . ?
O4 Si4 C110 C115 -90.1(6) . . . . ?
C120 Si4 C110 C115 152.6(6) . . . . ?
C100 Si4 C110 C115 29.6(7) . . . . ?
C115 C110 C111 C112 -1.1(11) . . . . ?
Si4 C110 C111 C112 -179.3(6) . . . . ?
C110 C111 C112 C113 -0.3(12) . . . . ?
C111 C112 C113 C114 0.9(13) . . . . ?
C112 C113 C114 C115 0.0(14) . . . . ?
C113 C114 C115 C110 -1.4(13) . . . . ?
C111 C110 C115 C114 2.0(11) . . . . ?
Si4 C110 C115 C114 -179.8(6) . . . . ?
O4 Si4 C120 C125 149.1(7) . . . . ?
C110 Si4 C120 C125 -91.0(7) . . . . ?
C100 Si4 C120 C125 31.9(8) . . . . ?
O4 Si4 C120 C121 -32.9(8) . . . . ?
C110 Si4 C120 C121 87.0(7) . . . . ?
C100 Si4 C120 C121 -150.1(7) . . . . ?
C125 C120 C121 C122 -0.8(13) . . . . ?
Si4 C120 C121 C122 -178.8(8) . . . . ?
C120 C121 C122 C123 1.1(15) . . . . ?
C121 C122 C123 C124 -0.8(16) . . . . ?
C122 C123 C124 C125 0.2(15) . . . . ?
C123 C124 C125 C120 0.2(15) . . . . ?
C121 C120 C125 C124 0.1(13) . . . . ?
Si4 C120 C125 C124 178.2(7) . . . . ?
O5 Si5 C130 C135 171.1(6) . . . . ?
C150 Si5 C130 C135 -67.4(7) . . . . ?
C140 Si5 C130 C135 52.4(7) . . . . ?
O5 Si5 C130 C131 -13.0(7) . . . . ?
C150 Si5 C130 C131 108.6(7) . . . . ?
C140 Si5 C130 C131 -131.6(7) . . . . ?
C135 C130 C131 C132 0.7(12) . . . . ?
Si5 C130 C131 C132 -175.4(6) . . . . ?
C130 C131 C132 C133 -2.1(13) . . . . ?
C131 C132 C133 C134 1.9(13) . . . . ?
C132 C133 C134 C135 -0.3(13) . . . . ?
C133 C134 C135 C130 -1.2(12) . . . . ?
C131 C130 C135 C134 0.9(11) . . . . ?
Si5 C130 C135 C134 177.0(6) . . . . ?
O5 Si5 C140 C141 155.0(7) . . . . ?
C150 Si5 C140 C141 31.9(8) . . . . ?
C130 Si5 C140 C141 -86.9(7) . . . . ?
O5 Si5 C140 C145 -24.8(8) . . . . ?
C150 Si5 C140 C145 -147.9(7) . . . . ?
C130 Si5 C140 C145 93.3(8) . . . . ?
C145 C140 C141 C142 -0.8(13) . . . . ?
Si5 C140 C141 C142 179.4(7) . . . . ?
C140 C141 C142 C143 -0.5(14) . . . . ?
C141 C142 C143 C144 2.4(14) . . . . ?
C142 C143 C144 C145 -3.1(15) . . . . ?
C143 C144 C145 C140 1.7(15) . . . . ?
C141 C140 C145 C144 0.2(13) . . . . ?
Si5 C140 C145 C144 180.0(7) . . . . ?
O5 Si5 C150 C155 -84.6(7) . . . . ?
C130 Si5 C150 C155 157.4(7) . . . . ?
C140 Si5 C150 C155 35.7(8) . . . . ?
O5 Si5 C150 C151 100.7(7) . . . . ?
C130 Si5 C150 C151 -17.3(7) . . . . ?
C140 Si5 C150 C151 -139.0(6) . . . . ?
C155 C150 C151 C152 -0.4(13) . . . . ?
Si5 C150 C151 C152 174.5(7) . . . . ?
C150 C151 C152 C153 -0.3(15) . . . . ?
C151 C152 C153 C154 1.1(18) . . . . ?
C152 C153 C154 C155 -1.2(19) . . . . ?
C151 C150 C155 C154 0.3(14) . . . . ?
Si5 C150 C155 C154 -174.4(8) . . . . ?
C153 C154 C155 C150 0.5(17) . . . . ?
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1 ChemSpider 30660773
