#------------------------------------------------------------------------------
#$Date: 2017-10-14 22:27:35 +0300 (Sat, 14 Oct 2017) $
#$Revision: 202017 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/52/7015287.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_7015287
loop_
_publ_author_name
'Galajov, Miguel'
'García, Carlos'
'Gómez, Manuel'
'Gómez-Sal, Pilar'
_publ_section_title
;
 Trialkyl imido niobium and tantalum compounds: synthesis, structural
 study and migratory insertion reactions.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2797
_journal_page_last               2804
_journal_paper_doi               10.1039/c0dt01449d
_journal_volume                  40
_journal_year                    2011
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C28 H75 N1 O2 Si6 Ta2'
_chemical_formula_sum            'C28 H75 N O2 Si6 Ta2'
_chemical_formula_weight         988.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2010-12-13T11:49:58-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                93.650(10)
_cell_angle_beta                 94.013(9)
_cell_angle_gamma                105.789(9)
_cell_formula_units_Z            2
_cell_length_a                   11.102(2)
_cell_length_b                   14.161(3)
_cell_length_c                   15.7690(10)
_cell_measurement_reflns_used    286
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      18.17
_cell_measurement_theta_min      3.45
_cell_measurement_wavelength     0.71073
_cell_volume                     2370.9(7)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Giacovazzo et al, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       X=UH
_diffrn_orient_matrix_UB_11      0.01
_diffrn_orient_matrix_UB_12      0
_diffrn_orient_matrix_UB_13      0
_diffrn_orient_matrix_UB_21      0
_diffrn_orient_matrix_UB_22      0.01
_diffrn_orient_matrix_UB_23      0
_diffrn_orient_matrix_UB_31      0
_diffrn_orient_matrix_UB_32      0
_diffrn_orient_matrix_UB_33      0.01
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_av_unetI/netI     0.1921
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17615
_diffrn_reflns_reduction_process
;
Scaled and merged with Sortav
R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    4.784
_exptl_absorpt_correction_T_max  0.116
_exptl_absorpt_correction_T_min  0.06
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
R.H. Blessing, Acta Cryst. (1995), A51, 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.25
_refine_diff_density_max         3.18
_refine_diff_density_min         -3.27
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.888
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         10494
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.888
_refine_ls_R_factor_all          0.1259
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1368
_refine_ls_wR_factor_ref         0.171
_reflns_number_gt                5877
_reflns_number_total             10494
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c0dt01449d.txt
_cod_data_source_block           import
_cod_original_sg_symbol_Hall     'P -1'
_cod_database_code               7015287
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_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 0.64652(4) 0.41911(3) 0.75092(2) 0.03617(14) Uani 1 1 d . . .
Ta2 Ta 0.38191(4) 0.18340(3) 0.75675(2) 0.04017(15) Uani 1 1 d . . .
O1 O 0.5241(8) 0.2920(5) 0.7519(5) 0.0453(18) Uani 1 1 d . . .
O2 O 0.7800(9) 0.5342(6) 0.7590(5) 0.057(2) Uani 1 1 d . . .
N1 N 0.3128(12) 0.1260(7) 0.6558(6) 0.057(3) Uani 1 1 d . . .
Si1 Si 0.5120(5) -0.0141(3) 0.8182(3) 0.0706(11) Uani 1 1 d . . .
Si2 Si 0.7902(5) 0.3170(4) 0.5955(3) 0.0777(12) Uani 1 1 d . . .
Si3 Si 0.7147(3) 0.4007(3) 0.96692(19) 0.0506(8) Uani 1 1 d . . .
Si4 Si 0.9213(4) 0.7222(3) 0.7410(4) 0.0832(14) Uani 1 1 d . . .
Si5 Si 0.4098(3) 0.5267(2) 0.68706(19) 0.0481(7) Uani 1 1 d . . .
Si6 Si 0.1021(5) 0.1563(3) 0.8589(4) 0.0858(15) Uani 1 1 d . . .
C11 C 0.4084(18) 0.0653(10) 0.8265(9) 0.073(4) Uani 1 1 d . . .
H11A H 0.4259 0.0942 0.8865 0.088 Uiso 1 1 calc R . .
H11B H 0.3233 0.0186 0.8232 0.088 Uiso 1 1 calc R . .
C12 C 0.503(3) -0.0683(18) 0.7091(14) 0.146(11) Uani 1 1 d . . .
H12A H 0.4166 -0.1063 0.6908 0.219 Uiso 1 1 calc R . .
H12B H 0.5584 -0.1119 0.7067 0.219 Uiso 1 1 calc R . .
H12C H 0.5306 -0.0158 0.6712 0.219 Uiso 1 1 calc R . .
C13 C 0.463(3) -0.1186(15) 0.8868(16) 0.129(9) Uani 1 1 d . . .
H13A H 0.466 -0.0925 0.9462 0.194 Uiso 1 1 calc R . .
H13B H 0.52 -0.1603 0.8827 0.194 Uiso 1 1 calc R . .
H13C H 0.377 -0.1577 0.8673 0.194 Uiso 1 1 calc R . .
C14 C 0.668(3) 0.0553(17) 0.8594(19) 0.139(9) Uani 1 1 d . . .
H14A H 0.666 0.0846 0.9171 0.208 Uiso 1 1 calc R . .
H14B H 0.7004 0.1077 0.8223 0.208 Uiso 1 1 calc R . .
H14C H 0.7228 0.0115 0.8613 0.208 Uiso 1 1 calc R . .
C21 C 0.6729(13) 0.3831(8) 0.6197(7) 0.050(3) Uani 1 1 d . . .
H21A H 0.5907 0.343 0.5917 0.06 Uiso 1 1 calc R . .
H21B H 0.6951 0.4455 0.5918 0.06 Uiso 1 1 calc R . .
C22 C 0.786(2) 0.2860(15) 0.4808(10) 0.105(7) Uani 1 1 d . . .
H22A H 0.6989 0.2525 0.4581 0.157 Uiso 1 1 calc R . .
H22B H 0.839 0.2425 0.4704 0.157 Uiso 1 1 calc R . .
H22C H 0.8161 0.3464 0.4524 0.157 Uiso 1 1 calc R . .
C23 C 0.747(3) 0.1922(15) 0.6420(13) 0.124(9) Uani 1 1 d . . .
H23A H 0.7499 0.2021 0.7043 0.186 Uiso 1 1 calc R . .
H23B H 0.8065 0.1556 0.6266 0.186 Uiso 1 1 calc R . .
H23C H 0.6617 0.1547 0.619 0.186 Uiso 1 1 calc R . .
C24 C 0.946(2) 0.377(2) 0.6419(18) 0.137(9) Uani 1 1 d . . .
H24A H 0.9449 0.392 0.7033 0.205 Uiso 1 1 calc R . .
H24B H 0.9799 0.4378 0.615 0.205 Uiso 1 1 calc R . .
H24C H 1.0001 0.3329 0.633 0.205 Uiso 1 1 calc R . .
C31 C 0.7495(12) 0.3749(8) 0.8552(6) 0.045(3) Uani 1 1 d . . .
H31A H 0.7367 0.3029 0.8453 0.055 Uiso 1 1 calc R . .
H31B H 0.84 0.4067 0.8515 0.055 Uiso 1 1 calc R . .
C32 C 0.825(2) 0.3594(17) 1.0415(9) 0.112(8) Uani 1 1 d . . .
H32A H 0.8105 0.3757 1.1006 0.168 Uiso 1 1 calc R . .
H32B H 0.912 0.3929 1.0318 0.168 Uiso 1 1 calc R . .
H32C H 0.8106 0.2881 1.0313 0.168 Uiso 1 1 calc R . .
C33 C 0.740(2) 0.5347(12) 0.9927(11) 0.102(6) Uani 1 1 d . . .
H33A H 0.7246 0.5469 1.0523 0.153 Uiso 1 1 calc R . .
H33B H 0.682 0.558 0.9553 0.153 Uiso 1 1 calc R . .
H33C H 0.8268 0.5699 0.9842 0.153 Uiso 1 1 calc R . .
C34 C 0.5479(16) 0.3390(14) 0.9842(10) 0.081(5) Uani 1 1 d . . .
H34A H 0.5329 0.355 1.0432 0.122 Uiso 1 1 calc R . .
H34B H 0.5315 0.2675 0.9733 0.122 Uiso 1 1 calc R . .
H34C H 0.4917 0.3622 0.9451 0.122 Uiso 1 1 calc R . .
C41 C 0.9030(16) 0.5986(8) 0.7852(9) 0.069(4) Uani 1 1 d . . .
H41A H 0.9675 0.5687 0.7644 0.082 Uiso 1 1 calc R . .
H41B H 0.9157 0.6077 0.8482 0.082 Uiso 1 1 calc R . .
C42 C 0.894(3) 0.703(3) 0.6273(18) 0.22(2) Uani 1 1 d . . .
H42A H 0.8092 0.6588 0.6115 0.323 Uiso 1 1 calc R . .
H42B H 0.956 0.6724 0.6048 0.323 Uiso 1 1 calc R . .
H42C H 0.9013 0.7659 0.6032 0.323 Uiso 1 1 calc R . .
C43 C 0.809(3) 0.7786(17) 0.792(3) 0.188(16) Uani 1 1 d . . .
H43A H 0.8295 0.7865 0.854 0.282 Uiso 1 1 calc R . .
H43B H 0.7236 0.7359 0.7781 0.282 Uiso 1 1 calc R . .
H43C H 0.8158 0.8432 0.7708 0.282 Uiso 1 1 calc R . .
C44 C 1.086(2) 0.7962(12) 0.7781(18) 0.119(8) Uani 1 1 d . . .
H44A H 1.0952 0.8049 0.8406 0.178 Uiso 1 1 calc R . .
H44B H 1.1025 0.8608 0.7553 0.178 Uiso 1 1 calc R . .
H44C H 1.1449 0.7616 0.758 0.178 Uiso 1 1 calc R . .
C51 C 0.5085(12) 0.4946(8) 0.7767(6) 0.047(3) Uani 1 1 d . . .
H51A H 0.45 0.4541 0.8135 0.056 Uiso 1 1 calc R . .
H51B H 0.5526 0.5569 0.8112 0.056 Uiso 1 1 calc R . .
C52 C 0.3256(16) 0.4158(11) 0.6130(9) 0.075(4) Uani 1 1 d . . .
H52A H 0.2699 0.3673 0.6448 0.112 Uiso 1 1 calc R . .
H52B H 0.3872 0.3865 0.5884 0.112 Uiso 1 1 calc R . .
H52C H 0.2757 0.4355 0.5672 0.112 Uiso 1 1 calc R . .
C53 C 0.5093(16) 0.6137(12) 0.6204(10) 0.077(4) Uani 1 1 d . . .
H53A H 0.5708 0.5837 0.5966 0.115 Uiso 1 1 calc R . .
H53B H 0.5536 0.6745 0.6556 0.115 Uiso 1 1 calc R . .
H53C H 0.4563 0.629 0.5739 0.115 Uiso 1 1 calc R . .
C54 C 0.2907(18) 0.5806(14) 0.7335(10) 0.088(5) Uani 1 1 d . . .
H54A H 0.235 0.5314 0.7646 0.132 Uiso 1 1 calc R . .
H54B H 0.241 0.6003 0.6875 0.132 Uiso 1 1 calc R . .
H54C H 0.3335 0.6384 0.7727 0.132 Uiso 1 1 calc R . .
C61 C 0.2395(13) 0.2338(10) 0.8111(9) 0.058(3) Uani 1 1 d . . .
H61A H 0.2832 0.2862 0.8562 0.069 Uiso 1 1 calc R . .
H61B H 0.2043 0.2669 0.7661 0.069 Uiso 1 1 calc R . .
C62 C 0.156(3) 0.096(3) 0.949(2) 0.200(17) Uani 1 1 d . . .
H62A H 0.0836 0.0554 0.974 0.3 Uiso 1 1 calc R . .
H62B H 0.207 0.1465 0.9926 0.3 Uiso 1 1 calc R . .
H62C H 0.2077 0.0544 0.9286 0.3 Uiso 1 1 calc R . .
C63 C 0.010(2) 0.0583(14) 0.776(2) 0.170(14) Uani 1 1 d . . .
H63A H -0.0644 0.018 0.7998 0.255 Uiso 1 1 calc R . .
H63B H 0.0623 0.0165 0.7578 0.255 Uiso 1 1 calc R . .
H63C H -0.0169 0.089 0.7267 0.255 Uiso 1 1 calc R . .
C64 C -0.002(2) 0.2345(17) 0.892(2) 0.146(11) Uani 1 1 d . . .
H64A H -0.0307 0.2627 0.8414 0.219 Uiso 1 1 calc R . .
H64B H 0.0452 0.2878 0.9339 0.219 Uiso 1 1 calc R . .
H64C H -0.0749 0.1938 0.9165 0.219 Uiso 1 1 calc R . .
C71 C 0.2593(19) 0.0920(10) 0.5686(9) 0.077(5) Uani 1 1 d . . .
C72 C 0.362(3) 0.130(3) 0.5105(12) 0.202(19) Uani 1 1 d . . .
H72A H 0.3303 0.1075 0.4511 0.304 Uiso 1 1 calc R . .
H72B H 0.4344 0.1053 0.5259 0.304 Uiso 1 1 calc R . .
H72C H 0.3886 0.2023 0.5171 0.304 Uiso 1 1 calc R . .
C73 C 0.214(3) -0.0212(12) 0.5640(13) 0.135(10) Uani 1 1 d . . .
H73A H 0.1764 -0.047 0.5062 0.202 Uiso 1 1 calc R . .
H73B H 0.1513 -0.0414 0.6048 0.202 Uiso 1 1 calc R . .
H73C H 0.2856 -0.0472 0.578 0.202 Uiso 1 1 calc R . .
C74 C 0.151(3) 0.1299(15) 0.5475(14) 0.146(12) Uani 1 1 d . . .
H74A H 0.0856 0.1049 0.5854 0.22 Uiso 1 1 calc R . .
H74B H 0.118 0.1081 0.4882 0.22 Uiso 1 1 calc R . .
H74C H 0.1778 0.2021 0.5549 0.22 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-3 5 -1 0.137
-1 0 3 0.294
1 0 -4 0.367
2 -4 1 0.103
0 10 -1 0.099
0 -6 1 0.127
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
O2 Ta1 O1 172.0(4) . . ?
O2 Ta1 C51 94.4(4) . . ?
O1 Ta1 C51 91.4(4) . . ?
O2 Ta1 C31 86.0(4) . . ?
O1 Ta1 C31 86.3(4) . . ?
C51 Ta1 C31 119.8(4) . . ?
O2 Ta1 C21 92.2(4) . . ?
O1 Ta1 C21 89.9(4) . . ?
C51 Ta1 C21 118.6(5) . . ?
C31 Ta1 C21 121.5(4) . . ?
N1 Ta2 O1 113.8(4) . . ?
N1 Ta2 C61 104.7(6) . . ?
O1 Ta2 C61 108.9(4) . . ?
N1 Ta2 C11 104.2(6) . . ?
O1 Ta2 C11 117.0(6) . . ?
C61 Ta2 C11 107.4(5) . . ?
Ta2 O1 Ta1 168.4(5) . . ?
C41 O2 Ta1 157.6(7) . . ?
C71 N1 Ta2 172.3(9) . . ?
C14 Si1 C11 108.6(10) . . ?
C14 Si1 C12 113.3(15) . . ?
C11 Si1 C12 111.2(10) . . ?
C14 Si1 C13 106.7(13) . . ?
C11 Si1 C13 110.0(10) . . ?
C12 Si1 C13 106.9(12) . . ?
C24 Si2 C22 112.0(12) . . ?
C24 Si2 C21 114.6(9) . . ?
C22 Si2 C21 111.2(8) . . ?
C24 Si2 C23 104.7(14) . . ?
C22 Si2 C23 104.1(9) . . ?
C21 Si2 C23 109.4(8) . . ?
C33 Si3 C31 110.8(7) . . ?
C33 Si3 C34 106.9(10) . . ?
C31 Si3 C34 111.8(7) . . ?
C33 Si3 C32 107.7(10) . . ?
C31 Si3 C32 108.7(6) . . ?
C34 Si3 C32 110.8(9) . . ?
C42 Si4 C43 114.0(16) . . ?
C42 Si4 C44 112.9(12) . . ?
C43 Si4 C44 109.1(12) . . ?
C42 Si4 C41 108.3(13) . . ?
C43 Si4 C41 106.7(12) . . ?
C44 Si4 C41 105.3(8) . . ?
C53 Si5 C54 111.0(8) . . ?
C53 Si5 C52 105.8(8) . . ?
C54 Si5 C52 108.6(9) . . ?
C53 Si5 C51 110.8(7) . . ?
C54 Si5 C51 108.7(6) . . ?
C52 Si5 C51 111.9(6) . . ?
C62 Si6 C61 109.9(10) . . ?
C62 Si6 C63 108.4(17) . . ?
C61 Si6 C63 108.6(11) . . ?
C62 Si6 C64 112.6(15) . . ?
C61 Si6 C64 109.2(9) . . ?
C63 Si6 C64 108.0(12) . . ?
Si1 C11 Ta2 133.4(8) . . ?
Si1 C11 H11A 103.9 . . ?
Ta2 C11 H11A 103.9 . . ?
Si1 C11 H11B 103.9 . . ?
Ta2 C11 H11B 103.9 . . ?
H11A C11 H11B 105.4 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si2 C21 Ta1 119.5(6) . . ?
Si2 C21 H21A 107.4 . . ?
Ta1 C21 H21A 107.4 . . ?
Si2 C21 H21B 107.4 . . ?
Ta1 C21 H21B 107.4 . . ?
H21A C21 H21B 107 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C31 Ta1 119.5(6) . . ?
Si3 C31 H31A 107.4 . . ?
Ta1 C31 H31A 107.4 . . ?
Si3 C31 H31B 107.4 . . ?
Ta1 C31 H31B 107.4 . . ?
H31A C31 H31B 107 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si3 C33 H33A 109.5 . . ?
Si3 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si3 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si3 C34 H34A 109.5 . . ?
Si3 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si3 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O2 C41 Si4 110.3(9) . . ?
O2 C41 H41A 109.6 . . ?
Si4 C41 H41A 109.6 . . ?
O2 C41 H41B 109.6 . . ?
Si4 C41 H41B 109.6 . . ?
H41A C41 H41B 108.1 . . ?
Si4 C42 H42A 109.5 . . ?
Si4 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si4 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si4 C43 H43A 109.5 . . ?
Si4 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si4 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si4 C44 H44A 109.5 . . ?
Si4 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si4 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si5 C51 Ta1 120.9(5) . . ?
Si5 C51 H51A 107.1 . . ?
Ta1 C51 H51A 107.1 . . ?
Si5 C51 H51B 107.1 . . ?
Ta1 C51 H51B 107.1 . . ?
H51A C51 H51B 106.8 . . ?
Si5 C52 H52A 109.5 . . ?
Si5 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
Si5 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
Si5 C53 H53A 109.5 . . ?
Si5 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
Si5 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
Si5 C54 H54A 109.5 . . ?
Si5 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
Si5 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
Si6 C61 Ta2 125.8(7) . . ?
Si6 C61 H61A 105.9 . . ?
Ta2 C61 H61A 105.9 . . ?
Si6 C61 H61B 105.9 . . ?
Ta2 C61 H61B 105.9 . . ?
H61A C61 H61B 106.2 . . ?
Si6 C62 H62A 109.5 . . ?
Si6 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
Si6 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si6 C63 H63A 109.5 . . ?
Si6 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
Si6 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si6 C64 H64A 109.5 . . ?
Si6 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
Si6 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
N1 C71 C74 110.5(15) . . ?
N1 C71 C72 107.1(15) . . ?
C74 C71 C72 110(2) . . ?
N1 C71 C73 106.9(12) . . ?
C74 C71 C73 108.9(18) . . ?
C72 C71 C73 113(2) . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C73 H73A 109.5 . . ?
C71 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C71 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C71 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ta1 O2 1.871(8) . ?
Ta1 O1 1.940(7) . ?
Ta1 C51 2.140(11) . ?
Ta1 C31 2.159(11) . ?
Ta1 C21 2.159(11) . ?
Ta2 N1 1.762(9) . ?
Ta2 O1 1.890(7) . ?
Ta2 C61 2.114(12) . ?
Ta2 C11 2.133(12) . ?
O2 C41 1.437(17) . ?
N1 C71 1.456(16) . ?
Si1 C14 1.80(3) . ?
Si1 C11 1.819(15) . ?
Si1 C12 1.82(2) . ?
Si1 C13 1.872(18) . ?
Si2 C24 1.79(3) . ?
Si2 C22 1.827(16) . ?
Si2 C21 1.844(13) . ?
Si2 C23 1.910(18) . ?
Si3 C33 1.855(16) . ?
Si3 C31 1.864(10) . ?
Si3 C34 1.867(17) . ?
Si3 C32 1.872(16) . ?
Si4 C42 1.79(3) . ?
Si4 C43 1.85(3) . ?
Si4 C44 1.87(2) . ?
Si4 C41 1.890(11) . ?
Si5 C53 1.852(15) . ?
Si5 C54 1.865(14) . ?
Si5 C52 1.877(14) . ?
Si5 C51 1.882(12) . ?
Si6 C62 1.85(3) . ?
Si6 C61 1.858(13) . ?
Si6 C63 1.87(3) . ?
Si6 C64 1.88(2) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 H22A 0.98 . ?
C22 H22B 0.98 . ?
C22 H22C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C41 H41A 0.99 . ?
C41 H41B 0.99 . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 H43A 0.98 . ?
C43 H43B 0.98 . ?
C43 H43C 0.98 . ?
C44 H44A 0.98 . ?
C44 H44B 0.98 . ?
C44 H44C 0.98 . ?
C51 H51A 0.99 . ?
C51 H51B 0.99 . ?
C52 H52A 0.98 . ?
C52 H52B 0.98 . ?
C52 H52C 0.98 . ?
C53 H53A 0.98 . ?
C53 H53B 0.98 . ?
C53 H53C 0.98 . ?
C54 H54A 0.98 . ?
C54 H54B 0.98 . ?
C54 H54C 0.98 . ?
C61 H61A 0.99 . ?
C61 H61B 0.99 . ?
C62 H62A 0.98 . ?
C62 H62B 0.98 . ?
C62 H62C 0.98 . ?
C63 H63A 0.98 . ?
C63 H63B 0.98 . ?
C63 H63C 0.98 . ?
C64 H64A 0.98 . ?
C64 H64B 0.98 . ?
C64 H64C 0.98 . ?
C71 C74 1.47(3) . ?
C71 C72 1.52(3) . ?
C71 C73 1.54(2) . ?
C72 H72A 0.98 . ?
C72 H72B 0.98 . ?
C72 H72C 0.98 . ?
C73 H73A 0.98 . ?
C73 H73B 0.98 . ?
C73 H73C 0.98 . ?
C74 H74A 0.98 . ?
C74 H74B 0.98 . ?
C74 H74C 0.98 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30652808
