#------------------------------------------------------------------------------
#$Date: 2019-09-19 11:42:43 +0300 (Thu, 19 Sep 2019) $
#$Revision: 218534 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/39/7233951.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_7233951
loop_
_publ_author_name
'Mikkel A. Christensen'
'Christian R. Parker'
'Thomas Just Sorensen'
'Sebastian de Graaf'
'Thorbjorn J. Morsing'
'Theis Brock-Nannestad'
'Jesper Bendix'
'Michael M. Haley'
'Peter Rapta'
'Andrey Danilov'
'Sergey Kubatkin'
'Ole Hammerich'
'Mogens Brondsted Nielsen'
_publ_section_title
;
 Mixed valence radical cations and intermolecular complexes derived from
 indenofluorene-extended tetrathiafulvalenes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              10428
_journal_page_last               10438
_journal_paper_doi               10.1039/C4TC02178A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_moiety         'F6 Ta, 2(C17 H15 S4)'
_chemical_formula_sum            'C34 H30 F6 S8 Ta'
_chemical_formula_weight         990.08
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_cell_angle_alpha                106.242(2)
_cell_angle_beta                 98.995(2)
_cell_angle_gamma                107.963(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4413(5)
_cell_length_b                   13.8707(7)
_cell_length_c                   15.4171(7)
_cell_measurement_reflns_used    6359
_cell_measurement_temperature    122(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.32
_cell_volume                     1777.67(16)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2013)'
_diffrn_ambient_temperature      122(2)
_diffrn_measured_fraction_theta_full 0.9995
_diffrn_measured_fraction_theta_max 0.9995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0970
_diffrn_reflns_av_unetI/netI     0.0820
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25042
_diffrn_reflns_theta_full        25.0273
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.32
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.620
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.3554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1553 before and 0.0803 after correction.
The Ratio of minimum to maximum transmission is 0.4769.
The λ/2 correction factor is 0.0000.
;
_exptl_crystal_density_diffrn    1.8496
_exptl_crystal_F_000             979.2287
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         5.4155
_refine_diff_density_min         -1.5356
_refine_diff_density_rms         0.2552
_refine_ls_d_res_high            0.8400
_refine_ls_d_res_low             8.7900
_refine_ls_goodness_of_fit_ref   1.0349
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    48
_refine_ls_number_parameters     445
_refine_ls_number_reflns         6270
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0349
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0511P)²+4.8162P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1187
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              15
_reflns_limit_k_min              -16
_reflns_limit_l_max              18
_reflns_limit_l_min              0
_reflns_number_gt                4987
_reflns_number_total             6270
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            1000005.cif
_cod_data_source_block           PCOD1000005
_cod_database_code               7233951
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2a,H2b), C10(H10a,H10b), C19(H19a,H19b), C27(H27a,H27b)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C14(H14), C15(H15), C16(H16), C17(H17), C25(H25), C31(H31), C32(H32),
 C33(H33), C34(H34)
2.c Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c), C11(H11a,H11b,H11c), C18(H18a,H18b,H18c), C28(H28a,H28b,H28c)
;
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
Ta1 Ta 0.05828(4) 0.45311(3) 1.27254(2) 0.02675(12) Uani 1.000000 .
S1 S 0.2673(2) 0.28992(15) 0.84401(13) 0.0243(4) Uani 1.000000 .
S2 S -0.05139(19) 0.15190(13) 0.70814(11) 0.0145(3) Uani 1.000000 .
S3 S -0.0821(2) -0.02241(14) 0.77976(11) 0.0177(4) Uani 1.000000 .
S4 S 0.2217(2) 0.08865(15) 0.92300(12) 0.0218(4) Uani 1.000000 .
S5 S 0.80127(19) 0.21323(13) 0.90874(11) 0.0156(4) Uani 1.000000 .
S6 S 0.58517(18) 0.21279(13) 0.74240(11) 0.0130(3) Uani 1.000000 .
S7 S 0.35523(18) 0.00707(13) 0.72004(10) 0.0125(3) Uani 1.000000 .
S8 S 0.5515(2) -0.01999(13) 0.87980(11) 0.0168(4) Uani 1.000000 .
F1 F -0.0018(6) 0.4271(5) 1.1433(3) 0.0555(15) Uani 1.000000 .
F2 F -0.1383(5) 0.4536(4) 1.2799(3) 0.0429(12) Uani 1.000000 .
F3 F 0.1282(6) 0.6052(4) 1.2945(3) 0.0434(12) Uani 1.000000 .
F4 F 0.1167(7) 0.4834(4) 1.4015(3) 0.0499(14) Uani 1.000000 .
F5 F 0.2533(6) 0.4534(5) 1.2628(4) 0.0614(17) Uani 1.000000 .
F6 F -0.0117(6) 0.3034(4) 1.2487(4) 0.0474(13) Uani 1.000000 .
C1 C 0.3847(9) 0.4763(6) 0.8161(5) 0.0312(19) Uani 1.000000 .
H1a H 0.4660(15) 0.4547(9) 0.798(3) 0.047(3) Uiso 1.000000 GR
H1b H 0.372(2) 0.5286(18) 0.789(3) 0.047(3) Uiso 1.000000 GR
H1c H 0.411(3) 0.507(3) 0.8832(6) 0.047(3) Uiso 1.000000 GR
C2 C 0.2351(9) 0.3781(6) 0.7817(5) 0.0267(17) Uani 1.000000 .
H2a H 0.2117(9) 0.3419(6) 0.7146(5) 0.032(2) Uiso 1.000000 R
H2b H 0.1500(9) 0.3991(6) 0.7955(5) 0.032(2) Uiso 1.000000 R
C3 C 0.1023(8) 0.1727(5) 0.7992(4) 0.0149(14) Uani 1.000000 .
C4 C -0.1663(8) 0.0235(5) 0.7013(4) 0.0132(14) Uani 1.000000 .
C5 C -0.3126(7) -0.0379(5) 0.6384(4) 0.0108(13) Uani 1.000000 .
C6 C -0.3933(7) -0.0074(5) 0.5707(4) 0.0106(13) Uani 1.000000 .
C7 C -0.3514(7) 0.0842(5) 0.5425(4) 0.0120(13) Uani 1.000000 .
H7 H -0.2546(7) 0.1392(5) 0.5700(4) 0.0143(16) Uiso 1.000000 R
C8 C -0.5428(8) -0.0896(5) 0.5267(4) 0.0119(13) Uani 1.000000 .
C9 C 0.0857(8) 0.0909(5) 0.8334(4) 0.0163(14) Uani 1.000000 .
C10 C 0.1521(10) 0.1355(7) 1.0249(5) 0.033(2) Uani 1.000000 .
H10a H 0.0408(10) 0.0989(7) 1.0081(5) 0.040(2) Uiso 1.000000 R
H10b H 0.1959(10) 0.1144(7) 1.0745(5) 0.040(2) Uiso 1.000000 R
C11 C 0.1896(12) 0.2541(8) 1.0621(6) 0.048(3) Uani 1.000000 .
H11a H 0.145(6) 0.2760(11) 1.0141(15) 0.073(4) Uiso 1.000000 GR
H11b H 0.148(6) 0.2715(10) 1.115(3) 0.073(4) Uiso 1.000000 GR
H11c H 0.2996(12) 0.2914(8) 1.082(4) 0.073(4) Uiso 1.000000 GR
C12 C -0.5577(7) -0.1741(5) 0.5670(4) 0.0109(13) Uani 1.000000 .
C13 C -0.4173(8) -0.1448(5) 0.6341(4) 0.0131(14) Uani 1.000000 .
C14 C -0.4019(8) -0.2157(5) 0.6805(4) 0.0179(15) Uani 1.000000 .
H14 H -0.3094(8) -0.1991(5) 0.7234(4) 0.0214(18) Uiso 1.000000 R
C15 C -0.5239(9) -0.3098(6) 0.6623(5) 0.0244(17) Uani 1.000000 .
H15 H -0.5128(9) -0.3564(6) 0.6938(5) 0.029(2) Uiso 1.000000 R
C16 C -0.6639(9) -0.3378(5) 0.5981(4) 0.0197(16) Uani 1.000000 .
H16 H -0.7457(9) -0.4016(5) 0.5877(4) 0.0237(19) Uiso 1.000000 R
C17 C -0.6798(8) -0.2690(5) 0.5498(4) 0.0148(14) Uani 1.000000 .
H17 H -0.7723(8) -0.2869(5) 0.5062(4) 0.0178(17) Uiso 1.000000 R
C18 C 0.7473(10) 0.4051(6) 0.9632(5) 0.034(2) Uani 1.000000 .
H18a H 0.6428(12) 0.365(3) 0.926(2) 0.051(3) Uiso 1.000000 GR
H18b H 0.755(5) 0.404(4) 1.0258(14) 0.051(3) Uiso 1.000000 GR
H18c H 0.777(4) 0.4784(15) 0.965(3) 0.051(3) Uiso 1.000000 GR
C19 C 0.8527(8) 0.3547(5) 0.9214(5) 0.0199(15) Uani 1.000000 .
H19a H 0.9575(8) 0.3947(5) 0.9607(5) 0.0239(18) Uiso 1.000000 R
H19b H 0.8508(8) 0.3612(5) 0.8602(5) 0.0239(18) Uiso 1.000000 R
C20 C 0.6277(8) 0.1525(5) 0.8223(4) 0.0141(14) Uani 1.000000 .
C21 C 0.4020(7) 0.1174(5) 0.6829(4) 0.0102(13) Uani 1.000000 .
C22 C 0.3047(7) 0.1294(5) 0.6141(4) 0.0128(14) Uani 1.000000 .
C23 C 0.1500(7) 0.0537(5) 0.5602(4) 0.0110(13) Uani 1.000000 .
C24 C 0.0835(7) 0.1011(5) 0.5027(4) 0.0107(13) Uani 1.000000 .
C25 C -0.0628(7) 0.0501(5) 0.4435(4) 0.0090(13) Uani 1.000000 .
H25 H -0.1029(7) 0.0835(5) 0.4069(4) 0.0109(15) Uiso 1.000000 R
C26 C 0.5215(8) 0.0545(5) 0.8101(4) 0.0145(14) Uani 1.000000 .
C27 C 0.3719(8) -0.1374(5) 0.8396(5) 0.0177(15) Uani 1.000000 .
H27a H 0.2881(8) -0.1160(5) 0.8557(5) 0.0212(18) Uiso 1.000000 R
H27b H 0.3457(8) -0.1721(5) 0.7721(5) 0.0212(18) Uiso 1.000000 R
C28 C 0.3977(8) -0.2141(6) 0.8879(5) 0.0211(16) Uani 1.000000 .
H28a H 0.476(4) -0.239(3) 0.868(2) 0.032(2) Uiso 1.000000 GR
H28b H 0.431(5) -0.1772(12) 0.9546(5) 0.032(2) Uiso 1.000000 GR
H28c H 0.3030(15) -0.2749(18) 0.872(2) 0.032(2) Uiso 1.000000 GR
C29 C 0.3323(7) 0.2255(5) 0.5848(4) 0.0114(13) Uani 1.000000 .
C30 C 0.1969(7) 0.2083(5) 0.5192(4) 0.0113(13) Uani 1.000000 .
C31 C 0.1853(8) 0.2872(6) 0.4826(4) 0.0188(15) Uani 1.000000 .
H31 H 0.0951(8) 0.2758(6) 0.4400(4) 0.0225(18) Uiso 1.000000 R
C32 C 0.3111(8) 0.3830(5) 0.5110(5) 0.0211(16) Uani 1.000000 .
H32 H 0.3053(8) 0.4368(5) 0.4874(5) 0.0253(19) Uiso 1.000000 R
C33 C 0.4453(8) 0.4000(5) 0.5737(5) 0.0218(16) Uani 1.000000 .
H33 H 0.5286(8) 0.4650(5) 0.5913(5) 0.0262(19) Uiso 1.000000 R
C34 C 0.4585(8) 0.3221(5) 0.6113(4) 0.0180(15) Uani 1.000000 .
H34 H 0.5497(8) 0.3342(5) 0.6534(4) 0.0216(18) Uiso 1.000000 R
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
S 0.12424 0.12443 6.90530 5.20340 1.43790 1.58630 1.46790 22.21510 0.25360
56.17200 0.866900026798
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Ta -0.58474 6.58145 29.20240 15.22930 14.51350 4.76492 1.77333 9.37046 0.29598
63.36440 9.24353981018
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
F2 Ta1 F1 88.9(2) . .
F3 Ta1 F1 88.8(2) . .
F3 Ta1 F2 89.2(2) . .
F4 Ta1 F1 178.0(2) . .
F4 Ta1 F2 90.1(2) . .
F4 Ta1 F3 89.5(2) . .
F5 Ta1 F1 89.9(2) . .
F5 Ta1 F2 178.7(2) . .
F5 Ta1 F3 90.3(2) . .
F5 Ta1 F4 91.0(2) . .
F6 Ta1 F1 90.2(2) . .
F6 Ta1 F2 90.7(2) . .
F6 Ta1 F3 179.0(2) . .
F6 Ta1 F4 91.5(2) . .
F6 Ta1 F5 89.8(3) . .
C3 S1 C2 106.3(3) . .
C4 S2 C3 97.0(3) . .
C9 S3 C4 97.7(3) . .
C10 S4 C9 101.4(3) . .
C20 S5 C19 102.2(3) . .
C21 S6 C20 97.0(3) . .
C26 S7 C21 97.0(3) . .
C27 S8 C26 103.9(3) . .
H1b C1 H1a 109.5 . .
H1c C1 H1a 109.5 . .
H1c C1 H1b 109.5 . .
C2 C1 H1a 109.5 . .
C2 C1 H1b 109.5 . .
C2 C1 H1c 109.5 . .
C1 C2 S1 105.6(5) . .
H2a C2 S1 110.6(8) . .
H2a C2 C1 110.6(9) . .
H2b C2 S1 110.6(8) . .
H2b C2 C1 110.6(9) . .
H2b C2 H2a 108.7 . .
S2 C3 S1 122.8(4) . .
C9 C3 S1 121.5(5) . .
C9 C3 S2 115.7(5) . .
S3 C4 S2 113.1(4) . .
C5 C4 S2 124.3(5) . .
C5 C4 S3 122.6(5) . .
C6 C5 C4 127.1(6) . .
C13 C5 C4 125.8(5) . .
C13 C5 C6 106.9(5) . .
C7 C6 C5 132.5(6) . .
C8 C6 C5 108.7(5) . .
C8 C6 C7 118.8(6) . .
H7 C7 C6 120.7(4) . .
C8 C7 C6 118.5(6) 2_456 .
C8 C7 H7 120.7(4) 2_456 .
C7 C8 C6 122.7(6) 2_456 .
C12 C8 C6 108.4(5) . .
C12 C8 C7 128.9(6) . 2_456
S4 C9 S3 117.9(4) . .
C3 C9 S3 116.4(5) . .
C3 C9 S4 125.6(5) . .
H10a C10 S4 108.5(7) . .
H10b C10 S4 108.5(9) . .
H10b C10 H10a 107.5 . .
C11 C10 S4 114.9(6) . .
C11 C10 H10a 108.5(9) . .
C11 C10 H10b 108.5(9) . .
H11a C11 C10 109.5 . .
H11b C11 C10 109.5 . .
H11b C11 H11a 109.5 . .
H11c C11 C10 109.5 . .
H11c C11 H11a 109.5 . .
H11c C11 H11b 109.5 . .
C13 C12 C8 108.1(6) . .
C17 C12 C8 131.0(6) . .
C17 C12 C13 120.9(6) . .
C12 C13 C5 107.8(5) . .
C14 C13 C5 133.4(6) . .
C14 C13 C12 118.7(6) . .
H14 C14 C13 120.2(4) . .
C15 C14 C13 119.6(6) . .
C15 C14 H14 120.2(4) . .
H15 C15 C14 119.0(9) . .
C16 C15 C14 121.9(6) . .
C16 C15 H15 119.0(10) . .
H16 C16 C15 120.5(4) . .
C17 C16 C15 119.1(6) . .
C17 C16 H16 120.5(9) . .
C16 C17 C12 119.7(6) . .
H17 C17 C12 120.2(4) . .
H17 C17 C16 120.2(4) . .
H18b C18 H18a 109.5 . .
H18c C18 H18a 109.5 . .
H18c C18 H18b 109.5 . .
C19 C18 H18a 109.5 . .
C19 C18 H18b 109.5 . .
C19 C18 H18c 109.5 . .
C18 C19 S5 113.7(5) . .
H19a C19 S5 108.8(7) . .
H19a C19 C18 108.8(4) . .
H19b C19 S5 108.8(7) . .
H19b C19 C18 108.8(4) . .
H19b C19 H19a 107.7 . .
S6 C20 S5 120.7(4) . .
C26 C20 S5 123.0(5) . .
C26 C20 S6 116.2(5) . .
S7 C21 S6 113.1(3) . .
C22 C21 S6 122.8(5) . .
C22 C21 S7 124.1(5) . .
C23 C22 C21 126.7(6) . .
C29 C22 C21 126.8(6) . .
C29 C22 C23 106.4(5) . .
C24 C23 C22 108.8(5) . .
C25 C23 C22 132.5(6) 2_556 .
C25 C23 C24 118.7(6) 2_556 .
C25 C24 C23 123.2(6) . .
C30 C24 C23 108.1(5) . .
C30 C24 C25 128.7(6) . .
C24 C25 C23 118.1(5) . 2_556
H25 C25 C23 120.9(3) . 2_556
H25 C25 C24 120.9(4) . .
S8 C26 S7 121.7(4) . .
C20 C26 S7 116.3(5) . .
C20 C26 S8 122.0(5) . .
H27a C27 S8 110.4(7) . .
H27b C27 S8 110.4(7) . .
H27b C27 H27a 108.6 . .
C28 C27 S8 106.9(5) . .
C28 C27 H27a 110.4(4) . .
C28 C27 H27b 110.4(4) . .
H28a C28 C27 109.5 . .
H28b C28 C27 109.5 . .
H28b C28 H28a 109.5 . .
H28c C28 C27 109.5 . .
H28c C28 H28a 109.5 . .
H28c C28 H28b 109.5 . .
C30 C29 C22 108.0(5) . .
C34 C29 C22 132.5(6) . .
C34 C29 C30 119.5(6) . .
C29 C30 C24 108.6(5) . .
C31 C30 C24 130.2(6) . .
C31 C30 C29 121.2(6) . .
H31 C31 C30 120.9(9) . .
C32 C31 C30 118.3(6) . .
C32 C31 H31 120.9(9) . .
H32 C32 C31 119.5(9) . .
C33 C32 C31 121.0(6) . .
C33 C32 H32 119.5(9) . .
H33 C33 C32 119.3(4) . .
C34 C33 C32 121.4(6) . .
C34 C33 H33 119.3(9) . .
C33 C34 C29 118.6(6) . .
H34 C34 C29 120.7(4) . .
H34 C34 C33 120.7(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ta1 F1 1.882(5) .
Ta1 F2 1.879(5) .
Ta1 F3 1.916(5) .
Ta1 F4 1.865(4) .
Ta1 F5 1.869(5) .
Ta1 F6 1.880(5) .
S1 C2 1.818(7) .
S1 C3 1.738(7) .
S2 C3 1.743(7) .
S2 C4 1.741(7) .
S3 C4 1.715(6) .
S3 C9 1.730(7) .
S4 C9 1.746(6) .
S4 C10 1.827(8) .
S5 C19 1.815(7) .
S5 C20 1.735(6) .
S6 C20 1.734(6) .
S6 C21 1.731(6) .
S7 C21 1.737(6) .
S7 C26 1.731(7) .
S8 C26 1.735(6) .
S8 C27 1.821(7) .
C1 H1a 0.9600 .
C1 H1b 0.9600 .
C1 H1c 0.9600 .
C1 C2 1.518(10) .
C2 H2a 0.9700 .
C2 H2b 0.9700 .
C3 C9 1.357(9) .
C4 C5 1.403(9) .
C5 C6 1.430(8) .
C5 C13 1.483(9) .
C6 C7 1.418(9) .
C6 C8 1.424(9) .
C7 H7 0.9300 .
C7 C8 1.379(9) 2_456
C8 C12 1.452(8) .
C10 H10a 0.9700 .
C10 H10b 0.9700 .
C10 C11 1.487(12) .
C11 H11a 0.9600 .
C11 H11b 0.9600 .
C11 H11c 0.9600 .
C12 C13 1.413(9) .
C12 C17 1.381(9) .
C13 C14 1.397(9) .
C14 H14 0.9300 .
C14 C15 1.370(10) .
C15 H15 0.9300 .
C15 C16 1.392(10) .
C16 H16 0.9300 .
C16 C17 1.392(9) .
C17 H17 0.9300 .
C18 H18a 0.9600 .
C18 H18b 0.9600 .
C18 H18c 0.9600 .
C18 C19 1.508(11) .
C19 H19a 0.9700 .
C19 H19b 0.9700 .
C20 C26 1.358(9) .
C21 C22 1.373(9) .
C22 C23 1.453(9) .
C22 C29 1.487(8) .
C23 C24 1.420(8) .
C23 C25 1.401(9) 2_556
C24 C25 1.373(9) .
C24 C30 1.464(9) .
C25 H25 0.9300 .
C27 H27a 0.9700 .
C27 H27b 0.9700 .
C27 C28 1.514(9) .
C28 H28a 0.9600 .
C28 H28b 0.9600 .
C28 H28c 0.9600 .
C29 C30 1.409(9) .
C29 C34 1.392(9) .
C30 C31 1.389(9) .
C31 H31 0.9300 .
C31 C32 1.381(10) .
C32 H32 0.9300 .
C32 C33 1.379(10) .
C33 H33 0.9300 .
C33 C34 1.389(9) .
C34 H34 0.9300 .
