#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:24:52 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179109 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/71/4307154.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_4307154
loop_
_publ_author_name
'Jeffrey B. Bonanno'
'Thomas P. Henry'
'Peter T. Wolczanski'
'Aaron W. Pierpont'
'Thomas R. Cundari'
_publ_section_title
;
Evidence for Strong Tantalum-to-Boron Dative Interactions in
(silox)3Ta(BH3) and (silox)3Ta(η2-B,Cl-BCl2Ph) (silox =tBu3SiO)1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1222
_journal_page_last               1232
_journal_paper_doi               10.1021/ic0616885
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C42 H86 B Cl2 O3 Si3 Ta'
_chemical_formula_weight         986.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                102.020(10)
_cell_angle_beta                 96.160(10)
_cell_angle_gamma                119.120(10)
_cell_formula_units_Z            2
_cell_length_a                   13.1510(10)
_cell_length_b                   13.1990(10)
_cell_length_c                   17.441(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      15
_cell_volume                     2508.5(5)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'Siemens CIFTAB'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0819
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7851
_diffrn_reflns_theta_max         23.75
_diffrn_reflns_theta_min         1.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.402
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.305
_exptl_crystal_density_meas      ?
_exptl_crystal_F_000             1032
_refine_diff_density_max         1.834
_refine_diff_density_min         -1.820
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.040
_refine_ls_goodness_of_fit_obs   1.038
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     464
_refine_ls_number_reflns         7468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_restrained_S_obs      1.038
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_obs          0.0433
_refine_ls_shift/esd_max         -0.009
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0595P)²+7.1714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1174
_refine_ls_wR_factor_obs         0.1047
_reflns_number_observed          6444
_reflns_number_total             7476
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic0616885si20060906_042208.cif
_cod_data_source_block           ta_b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+7.1714P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0595P)^2^+7.1714P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2508.5(4)
_cod_database_code               4307154
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ta1 Ta 0.11468(2) 0.42561(2) 0.28719(2) 0.02334(11) Uani 1 d . .
Cl1 Cl 0.0899(2) 0.4738(2) 0.43150(11) 0.0390(4) Uani 1 d . .
Cl2 Cl 0.3633(2) 0.5881(2) 0.45281(14) 0.0542(5) Uani 1 d . .
Si1 Si 0.1560(2) 0.7139(2) 0.28731(12) 0.0312(4) Uani 1 d . .
Si2 Si -0.1887(2) 0.1756(2) 0.22428(12) 0.0310(4) Uani 1 d . .
Si3 Si 0.2924(2) 0.3628(2) 0.16815(13) 0.0360(5) Uani 1 d . .
O1 O 0.1450(4) 0.5807(4) 0.2873(3) 0.0293(10) Uani 1 d . .
O2 O -0.0411(4) 0.2859(4) 0.2596(3) 0.0298(10) Uani 1 d . .
O3 O 0.1981(4) 0.3903(4) 0.2159(3) 0.0341(11) Uani 1 d . .
B1 B 0.2204(7) 0.4439(7) 0.4090(5) 0.033(2) Uiso 1 d . .
C01 C 0.2111(6) 0.3362(7) 0.4401(4) 0.036(2) Uani 1 d . .
C02 C 0.1024(7) 0.2363(8) 0.4369(6) 0.053(2) Uani 1 d . .
H02A H 0.0302(7) 0.2344(8) 0.4174(6) 0.080 Uiso 1 d R .
C03 C 0.0937(9) 0.1403(9) 0.4618(7) 0.069(3) Uani 1 d . .
H03A H 0.0165(9) 0.0692(9) 0.4543(7) 0.080 Uiso 1 d R .
C04 C 0.1957(9) 0.1445(8) 0.4940(6) 0.061(3) Uani 1 d . .
H04A H 0.1907(9) 0.0827(8) 0.5171(6) 0.080 Uiso 1 d R .
C05 C 0.3038(9) 0.2405(9) 0.4970(7) 0.072(3) Uani 1 d . .
H05A H 0.3754(9) 0.2414(9) 0.5165(7) 0.080 Uiso 1 d R .
C06 C 0.3126(8) 0.3349(8) 0.4714(6) 0.058(2) Uani 1 d . .
H06A H 0.3902(8) 0.4018(8) 0.4738(6) 0.080 Uiso 1 d R .
C1 C 0.1749(7) 0.7299(7) 0.1817(5) 0.043(2) Uani 1 d . .
C2 C 0.0087(7) 0.7017(7) 0.3065(5) 0.044(2) Uani 1 d . .
C3 C 0.2939(7) 0.8406(7) 0.3717(5) 0.043(2) Uani 1 d . .
C4 C -0.2824(6) 0.2253(7) 0.2806(5) 0.043(2) Uani 1 d . .
C5 C -0.2098(7) 0.0262(7) 0.2402(6) 0.050(2) Uani 1 d . .
C6 C -0.2217(7) 0.1653(7) 0.1119(4) 0.039(2) Uani 1 d . .
C7 C 0.2540(7) 0.2017(7) 0.1682(5) 0.045(2) Uani 1 d . .
C8 C 0.4544(8) 0.4862(8) 0.2293(6) 0.055(2) Uani 1 d . .
C9 C 0.2598(8) 0.3729(8) 0.0605(5) 0.051(2) Uani 1 d . .
C11 C 0.0900(8) 0.6060(7) 0.1164(5) 0.052(2) Uani 1 d . .
H11A H 0.0997(8) 0.6145(7) 0.0639(5) 0.080 Uiso 1 d R .
H11B H 0.1090(8) 0.5475(7) 0.1263(5) 0.080 Uiso 1 d R .
H11C H 0.0085(8) 0.5789(7) 0.1187(5) 0.080 Uiso 1 d R .
C12 C 0.1468(9) 0.8225(8) 0.1616(5) 0.060(2) Uani 1 d . .
H12A H 0.1573(9) 0.8276(8) 0.1086(5) 0.080 Uiso 1 d R .
H12B H 0.0653(9) 0.7974(8) 0.1630(5) 0.080 Uiso 1 d R .
H12C H 0.2001(9) 0.9007(8) 0.2007(5) 0.080 Uiso 1 d R .
C13 C 0.3029(8) 0.7706(8) 0.1733(5) 0.055(2) Uani 1 d . .
H13A H 0.3095(8) 0.7779(8) 0.1202(5) 0.080 Uiso 1 d R .
H13B H 0.3586(8) 0.8476(8) 0.2129(5) 0.080 Uiso 1 d R .
H13C H 0.3208(8) 0.7109(8) 0.1820(5) 0.080 Uiso 1 d R .
C21 C 0.0199(9) 0.8258(8) 0.3336(7) 0.067(3) Uani 1 d . .
H21A H -0.0554(9) 0.8142(8) 0.3424(7) 0.080 Uiso 1 d R .
H21B H 0.0812(9) 0.8750(8) 0.3830(7) 0.080 Uiso 1 d R .
H21C H 0.0408(9) 0.8657(8) 0.2926(7) 0.080 Uiso 1 d R .
C22 C -0.0948(7) 0.6233(9) 0.2296(6) 0.062(3) Uani 1 d . .
H22A H -0.1664(7) 0.6193(9) 0.2408(6) 0.080 Uiso 1 d R .
H22B H -0.0747(7) 0.6590(9) 0.1866(6) 0.080 Uiso 1 d R .
H22C H -0.1082(7) 0.5428(9) 0.2137(6) 0.080 Uiso 1 d R .
C23 C -0.0301(8) 0.6412(8) 0.3726(6) 0.059(2) Uani 1 d . .
H23A H -0.1027(8) 0.6375(8) 0.3808(6) 0.080 Uiso 1 d R .
H23B H -0.0446(8) 0.5604(8) 0.3557(6) 0.080 Uiso 1 d R .
H23C H 0.0311(8) 0.6870(8) 0.4223(6) 0.080 Uiso 1 d R .
C31 C 0.3289(8) 0.9682(7) 0.3665(6) 0.056(2) Uani 1 d . .
H31A H 0.3980(8) 1.0283(7) 0.4096(6) 0.080 Uiso 1 d R .
H31B H 0.3472(8) 0.9761(7) 0.3155(6) 0.080 Uiso 1 d R .
H31C H 0.2631(8) 0.9799(7) 0.3718(6) 0.080 Uiso 1 d R .
C32 C 0.2696(9) 0.8329(8) 0.4548(5) 0.059(2) Uani 1 d . .
H32A H 0.3388(9) 0.8963(8) 0.4966(5) 0.080 Uiso 1 d R .
H32B H 0.2022(9) 0.8418(8) 0.4599(5) 0.080 Uiso 1 d R .
H32C H 0.2519(9) 0.7553(8) 0.4598(5) 0.080 Uiso 1 d R .
C33 C 0.4051(7) 0.8298(8) 0.3693(6) 0.054(2) Uani 1 d . .
H33A H 0.4716(7) 0.8945(8) 0.4122(6) 0.080 Uiso 1 d R .
H33B H 0.3882(7) 0.7530(8) 0.3757(6) 0.080 Uiso 1 d R .
H33C H 0.4248(7) 0.8351(8) 0.3182(6) 0.080 Uiso 1 d R .
C41 C -0.2871(8) 0.3273(9) 0.2562(7) 0.063(3) Uani 1 d . .
H41A H -0.3345(8) 0.3499(9) 0.2853(7) 0.080 Uiso 1 d R .
H41B H -0.2069(8) 0.3962(9) 0.2685(7) 0.080 Uiso 1 d R .
H41C H -0.3220(8) 0.3005(9) 0.1992(7) 0.080 Uiso 1 d R .
C42 C -0.4124(7) 0.1195(8) 0.2659(6) 0.060(3) Uani 1 d . .
H42A H -0.4566(7) 0.1476(8) 0.2946(6) 0.080 Uiso 1 d R .
H42B H -0.4503(7) 0.0873(8) 0.2092(6) 0.080 Uiso 1 d R .
H42C H -0.4109(7) 0.0570(8) 0.2851(6) 0.080 Uiso 1 d R .
C43 C -0.2257(9) 0.2763(9) 0.3727(5) 0.065(3) Uani 1 d . .
H43A H -0.2728(9) 0.3013(9) 0.4003(5) 0.080 Uiso 1 d R .
H43B H -0.2223(9) 0.2148(9) 0.3920(5) 0.080 Uiso 1 d R .
H43C H -0.1460(9) 0.3450(9) 0.3828(5) 0.080 Uiso 1 d R .
C51 C -0.3260(9) -0.0853(7) 0.1823(6) 0.067(3) Uani 1 d . .
H51A H -0.3353(9) -0.1585(7) 0.1910(6) 0.080 Uiso 1 d R .
H51B H -0.3933(9) -0.0790(7) 0.1925(6) 0.080 Uiso 1 d R .
H51C H -0.3221(9) -0.0875(7) 0.1274(6) 0.080 Uiso 1 d R .
C52 C -0.2195(9) 0.0183(9) 0.3260(6) 0.071(3) Uani 1 d . .
H52A H -0.2304(9) -0.0577(9) 0.3300(6) 0.080 Uiso 1 d R .
H52B H -0.1475(9) 0.0841(9) 0.3644(6) 0.080 Uiso 1 d R .
H52C H -0.2870(9) 0.0235(9) 0.3373(6) 0.080 Uiso 1 d R .
C53 C -0.1016(9) 0.0146(8) 0.2249(7) 0.064(3) Uani 1 d . .
H53A H -0.1115(9) -0.0594(8) 0.2324(7) 0.080 Uiso 1 d R .
H53B H -0.0952(9) 0.0150(8) 0.1706(7) 0.080 Uiso 1 d R .
H53C H -0.0301(9) 0.0828(8) 0.2623(7) 0.080 Uiso 1 d R .
C61 C -0.3563(8) 0.0949(10) 0.0688(6) 0.079(3) Uani 1 d . .
H61A H -0.3660(8) 0.0940(10) 0.0133(6) 0.080 Uiso 1 d R .
H61B H -0.3914(8) 0.0130(10) 0.0714(6) 0.080 Uiso 1 d R .
H61C H -0.3955(8) 0.1320(10) 0.0953(6) 0.080 Uiso 1 d R .
C62 C -0.1646(8) 0.2930(8) 0.1019(5) 0.053(2) Uani 1 d . .
H62A H -0.1815(8) 0.2873(8) 0.0457(5) 0.080 Uiso 1 d R .
H62B H -0.1965(8) 0.3365(8) 0.1309(5) 0.080 Uiso 1 d R .
H62C H -0.0793(8) 0.3355(8) 0.1232(5) 0.080 Uiso 1 d R .
C63 C -0.1632(9) 0.1034(8) 0.0653(5) 0.060(2) Uani 1 d . .
H63A H -0.1798(9) 0.0991(8) 0.0094(5) 0.080 Uiso 1 d R .
H63B H -0.0779(9) 0.1489(8) 0.0874(5) 0.080 Uiso 1 d R .
H63C H -0.1965(9) 0.0227(8) 0.0699(5) 0.080 Uiso 1 d R .
C71 C 0.2387(9) 0.1851(8) 0.2514(6) 0.060(2) Uani 1 d . .
H71A H 0.2193(9) 0.1047(8) 0.2507(6) 0.080 Uiso 1 d R .
H71B H 0.3125(9) 0.2439(8) 0.2911(6) 0.080 Uiso 1 d R .
H71C H 0.1755(9) 0.1968(8) 0.2647(6) 0.080 Uiso 1 d R .
C72 C 0.3505(9) 0.1753(9) 0.1469(7) 0.065(3) Uani 1 d . .
H72A H 0.3266(9) 0.0943(9) 0.1477(7) 0.080 Uiso 1 d R .
H72B H 0.3597(9) 0.1822(9) 0.0940(7) 0.080 Uiso 1 d R .
H72C H 0.4255(9) 0.2324(9) 0.1859(7) 0.080 Uiso 1 d R .
C73 C 0.1343(8) 0.1037(7) 0.1066(6) 0.054(2) Uani 1 d . .
H73A H 0.1178(8) 0.0250(7) 0.1083(6) 0.080 Uiso 1 d R .
H73B H 0.0704(8) 0.1142(7) 0.1201(6) 0.080 Uiso 1 d R .
H73C H 0.1403(8) 0.1102(7) 0.0533(6) 0.080 Uiso 1 d R .
C81 C 0.4883(9) 0.4606(10) 0.3066(7) 0.076(3) Uani 1 d . .
H81A H 0.5690(9) 0.5232(10) 0.3355(7) 0.080 Uiso 1 d R .
H81B H 0.4342(9) 0.4597(10) 0.3397(7) 0.080 Uiso 1 d R .
H81C H 0.4822(9) 0.3832(10) 0.2934(7) 0.080 Uiso 1 d R .
C82 C 0.5477(8) 0.4960(10) 0.1796(7) 0.077(3) Uani 1 d . .
H82A H 0.6273(8) 0.5576(10) 0.2113(7) 0.080 Uiso 1 d R .
H82B H 0.5422(8) 0.4190(10) 0.1643(7) 0.080 Uiso 1 d R .
H82C H 0.5308(8) 0.5161(10) 0.1319(7) 0.080 Uiso 1 d R .
C83 C 0.4652(8) 0.6107(8) 0.2552(6) 0.065(3) Uani 1 d . .
H83A H 0.5457(8) 0.6715(8) 0.2856(6) 0.080 Uiso 1 d R .
H83B H 0.4465(8) 0.6311(8) 0.2081(6) 0.080 Uiso 1 d R .
H83C H 0.4102(8) 0.6071(8) 0.2882(6) 0.080 Uiso 1 d R .
C91 C 0.3070(11) 0.3129(10) 0.0020(6) 0.079(3) Uani 1 d . .
H91A H 0.2878(11) 0.3217(10) -0.0499(6) 0.080 Uiso 1 d R .
H91B H 0.3923(11) 0.3502(10) 0.0198(6) 0.080 Uiso 1 d R .
H91C H 0.2683(11) 0.2281(10) -0.0020(6) 0.080 Uiso 1 d R .
C92 C 0.3157(9) 0.5060(9) 0.0585(6) 0.067(3) Uani 1 d . .
H92A H 0.2972(9) 0.5062(9) 0.0038(6) 0.080 Uiso 1 d R .
H92B H 0.2830(9) 0.5449(9) 0.0913(6) 0.080 Uiso 1 d R .
H92C H 0.4012(9) 0.5493(9) 0.0789(6) 0.080 Uiso 1 d R .
C93 C 0.1229(8) 0.3102(9) 0.0246(5) 0.061(2) Uani 1 d . .
H93A H 0.1101(8) 0.3169(9) -0.0289(5) 0.080 Uiso 1 d R .
H93B H 0.0835(8) 0.2259(9) 0.0221(5) 0.080 Uiso 1 d R .
H93C H 0.0904(8) 0.3490(9) 0.0578(5) 0.080 Uiso 1 d 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'
Cl Cl 0.1484 0.1585 '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'
B B 0.0013 0.0007 '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
O3 Ta1 O1 105.4(2) . . ?
O3 Ta1 O2 106.6(2) . . ?
O1 Ta1 O2 123.5(2) . . ?
O3 Ta1 B1 101.2(2) . . ?
O1 Ta1 B1 108.4(2) . . ?
O2 Ta1 B1 109.4(2) . . ?
O3 Ta1 Cl1 149.3(2) . . ?
O1 Ta1 Cl1 87.65(14) . . ?
O2 Ta1 Cl1 87.74(14) . . ?
B1 Ta1 Cl1 48.1(2) . . ?
B1 Cl1 Ta1 59.3(2) . . ?
O1 Si1 C3 107.4(3) . . ?
O1 Si1 C1 105.7(3) . . ?
C3 Si1 C1 112.2(3) . . ?
O1 Si1 C2 107.4(3) . . ?
C3 Si1 C2 112.1(4) . . ?
C1 Si1 C2 111.7(4) . . ?
O2 Si2 C4 109.4(3) . . ?
O2 Si2 C6 103.5(3) . . ?
C4 Si2 C6 111.3(4) . . ?
O2 Si2 C5 108.6(3) . . ?
C4 Si2 C5 111.1(4) . . ?
C6 Si2 C5 112.6(4) . . ?
O3 Si3 C9 106.3(3) . . ?
O3 Si3 C7 106.3(3) . . ?
C9 Si3 C7 112.3(4) . . ?
O3 Si3 C8 107.1(3) . . ?
C9 Si3 C8 112.2(4) . . ?
C7 Si3 C8 112.1(4) . . ?
Si1 O1 Ta1 173.6(3) . . ?
Si2 O2 Ta1 168.6(3) . . ?
Si3 O3 Ta1 168.6(3) . . ?
C01 B1 Cl2 114.4(5) . . ?
C01 B1 Cl1 110.9(5) . . ?
Cl2 B1 Cl1 107.5(4) . . ?
C01 B1 Ta1 126.4(5) . . ?
Cl2 B1 Ta1 114.7(4) . . ?
Cl1 B1 Ta1 72.6(3) . . ?
C02 C01 C06 115.6(7) . . ?
C02 C01 B1 122.3(7) . . ?
C06 C01 B1 122.1(7) . . ?
C01 C02 C03 122.5(8) . . ?
C04 C03 C02 119.8(9) . . ?
C05 C04 C03 119.0(8) . . ?
C04 C05 C06 121.2(9) . . ?
C05 C06 C01 121.8(8) . . ?
C12 C1 C13 107.0(7) . . ?
C12 C1 C11 108.1(7) . . ?
C13 C1 C11 107.0(7) . . ?
C12 C1 Si1 112.4(6) . . ?
C13 C1 Si1 112.2(6) . . ?
C11 C1 Si1 110.0(5) . . ?
C23 C2 C21 106.8(7) . . ?
C23 C2 C22 107.0(7) . . ?
C21 C2 C22 107.8(7) . . ?
C23 C2 Si1 111.0(5) . . ?
C21 C2 Si1 112.9(6) . . ?
C22 C2 Si1 111.0(6) . . ?
C32 C3 C31 108.5(7) . . ?
C32 C3 C33 106.0(7) . . ?
C31 C3 C33 107.2(7) . . ?
C32 C3 Si1 110.4(5) . . ?
C31 C3 Si1 112.2(6) . . ?
C33 C3 Si1 112.2(6) . . ?
C41 C4 C42 107.9(7) . . ?
C41 C4 C43 105.7(8) . . ?
C42 C4 C43 108.2(7) . . ?
C41 C4 Si2 112.1(6) . . ?
C42 C4 Si2 112.1(6) . . ?
C43 C4 Si2 110.6(6) . . ?
C52 C5 C51 106.2(7) . . ?
C52 C5 C53 106.9(8) . . ?
C51 C5 C53 109.0(8) . . ?
C52 C5 Si2 113.6(7) . . ?
C51 C5 Si2 110.9(6) . . ?
C53 C5 Si2 110.0(5) . . ?
C62 C6 C61 107.6(7) . . ?
C62 C6 C63 106.0(7) . . ?
C61 C6 C63 107.7(7) . . ?
C62 C6 Si2 110.4(5) . . ?
C61 C6 Si2 114.8(6) . . ?
C63 C6 Si2 110.0(6) . . ?
C72 C7 C71 108.2(7) . . ?
C72 C7 C73 107.5(7) . . ?
C71 C7 C73 107.0(7) . . ?
C72 C7 Si3 112.7(6) . . ?
C71 C7 Si3 110.4(6) . . ?
C73 C7 Si3 110.9(6) . . ?
C81 C8 C83 106.9(8) . . ?
C81 C8 C82 107.9(8) . . ?
C83 C8 C82 108.5(8) . . ?
C81 C8 Si3 111.7(6) . . ?
C83 C8 Si3 109.7(6) . . ?
C82 C8 Si3 112.0(7) . . ?
C91 C9 C92 107.1(7) . . ?
C91 C9 C93 107.2(8) . . ?
C92 C9 C93 105.8(8) . . ?
C91 C9 Si3 112.6(7) . . ?
C92 C9 Si3 112.4(6) . . ?
C93 C9 Si3 111.2(6) . . ?
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 O3 1.875(5) . ?
Ta1 O1 1.885(4) . ?
Ta1 O2 1.890(4) . ?
Ta1 B1 2.308(8) . ?
Ta1 Cl1 2.561(2) . ?
Cl1 B1 1.999(8) . ?
Cl2 B1 1.828(8) . ?
Si1 O1 1.693(5) . ?
Si1 C3 1.924(8) . ?
Si1 C1 1.925(8) . ?
Si1 C2 1.936(8) . ?
Si2 O2 1.699(4) . ?
Si2 C4 1.921(8) . ?
Si2 C6 1.923(8) . ?
Si2 C5 1.938(8) . ?
Si3 O3 1.702(5) . ?
Si3 C9 1.927(9) . ?
Si3 C7 1.931(8) . ?
Si3 C8 1.934(9) . ?
B1 C01 1.582(11) . ?
C01 C02 1.380(11) . ?
C01 C06 1.395(11) . ?
C02 C03 1.380(12) . ?
C03 C04 1.369(13) . ?
C04 C05 1.353(13) . ?
C05 C06 1.368(12) . ?
C1 C12 1.531(11) . ?
C1 C13 1.533(12) . ?
C1 C11 1.547(11) . ?
C2 C23 1.530(12) . ?
C2 C21 1.534(11) . ?
C2 C22 1.543(12) . ?
C3 C32 1.531(11) . ?
C3 C31 1.540(11) . ?
C3 C33 1.541(12) . ?
C4 C41 1.520(12) . ?
C4 C42 1.540(10) . ?
C4 C43 1.546(12) . ?
C5 C52 1.537(13) . ?
C5 C51 1.543(12) . ?
C5 C53 1.548(12) . ?
C6 C62 1.534(11) . ?
C6 C61 1.544(11) . ?
C6 C63 1.547(11) . ?
C7 C72 1.533(11) . ?
C7 C71 1.531(12) . ?
C7 C73 1.544(11) . ?
C8 C81 1.529(14) . ?
C8 C83 1.541(12) . ?
C8 C82 1.547(12) . ?
C9 C91 1.528(12) . ?
C9 C92 1.550(12) . ?
C9 C93 1.553(12) . ?
