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#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/18/8101876.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_8101876
loop_
_publ_author_name
'Klapötke, T. M.'
'Krumm, B.'
'Schwab, I.'
_publ_section_title
;
Crystal structure of tris(triphenyltelluronium) fluoride tetrafluoroborate 
hemi(hexafluorosilicate) chloroform trisolvate, [Te(C₆H₅)₃]₃
[F][BF₄][SiF₆]~0.5~ · 3CHCl₃
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              594
_journal_page_last               596
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety
'3(Te C18 H15), F, 0.5(Si F6), (B F4), 3(C H Cl3)'
_chemical_formula_structural
'[TeC18H15]3[F][BF4][SiF6]0.5 &#x00B7; 3CHCl3'
_chemical_formula_sum            'C57 H48 B Cl9 F8 Si0.5 Te3'
_chemical_formula_weight         1611.71
_chemical_name_common            Ph3Te-F-SiF6-BF4
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                Te_Ph_F_SiF6_BF4_fn262_klapoetke
_audit_creation_date             10-Aug-2001
_audit_creation_method           'form98_non/compatible with shelxl97-2'
_audit_update_record             16-Aug-2001
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   19.17110(10)
_cell_length_b                   19.17110(10)
_cell_length_c                   29.60040(10)
_cell_measurement_reflns_used    53400
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.373
_cell_measurement_theta_min      3.395
_cell_volume                     9421.55(8)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996)'
_computing_structure_refinement
'SHELXL-97 (G. M. Sheldrick. University of Göttingen, 97-2 version)'
_computing_structure_solution
;
A. Altomare, M. C. Burla, M. Camalli, G. L. Cascarano, C. Giacovazzo, A.
Guagliardi, A. G. G. Moliterni, G. Polidori, R. Spagna: SIR97: a new tool for
crystal structure determination and refinement; J. Appl. Crystallogr. 1999,
32, 115-119.
;
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'Nonius 95mm KappaCCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       phi/omega
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.0404062
_diffrn_orient_matrix_UB_12      -0.0526864
_diffrn_orient_matrix_UB_13      -0.0136040
_diffrn_orient_matrix_UB_21      0.0309986
_diffrn_orient_matrix_UB_22      0.0154993
_diffrn_orient_matrix_UB_23      -0.0289657
_diffrn_orient_matrix_UB_31      0.0321596
_diffrn_orient_matrix_UB_32      -0.0247331
_diffrn_orient_matrix_UB_33      0.0108275
_diffrn_radiation_collimation    0.35
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0637
_diffrn_reflns_av_sigmaI/netI    0.0160
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            63042
_diffrn_reflns_theta_full        23.25
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         3.53
_diffrn_source_current           75.00
_diffrn_source_power             4.125
_diffrn_source_type              'FR 591 generator'
_diffrn_source_voltage           55.00
_exptl_absorpt_coefficient_mu    1.837
_exptl_absorpt_correction_T_max  0.8761
_exptl_absorpt_correction_T_min  0.7949
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'Absorption correction with XRed, rev 1.09, STOE (Darmstadt, Germany)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.704396(14)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             4698
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.275
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0480
_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)+(0.0638P)²+174.3099P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1262
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                2719
_reflns_number_total             3015
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1656.cff
_cod_data_source_block           fn262
_cod_original_cell_volume        9421.54(8)
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'C57 H48 B Cl9 F8 Si0.50 Te3'
_cod_database_code               8101876
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 1.0000 1.0000 0.1576(2) 0.0457(16) Uani 1 6 c d S . .
Te Te 0.95814(2) 0.86357(2) 0.112772(13) 0.02911(19) Uani 1 18 f d . . .
C11 C 0.9302(4) 0.7615(4) 0.0716(2) 0.0335(14) Uani 1 18 f d . . .
C21 C 0.8633(4) 0.6862(4) 0.0771(2) 0.0433(17) Uani 1 18 f d . . .
H21 H 0.8259 0.6768 0.1006 0.052 Uiso 1 18 f calc R . .
C31 C 0.8511(5) 0.6243(5) 0.0482(3) 0.053(2) Uani 1 18 f d . . .
H31 H 0.8046 0.5726 0.0514 0.063 Uiso 1 18 f calc R . .
C41 C 0.9065(5) 0.6376(5) 0.0146(3) 0.056(2) Uani 1 18 f d . . .
H41 H 0.8987 0.5947 -0.0047 0.067 Uiso 1 18 f calc R . .
C51 C 0.9727(5) 0.7128(5) 0.0090(3) 0.058(2) Uani 1 18 f d . . .
H51 H 1.0103 0.7218 -0.0143 0.069 Uiso 1 18 f calc R . .
C61 C 0.9847(4) 0.7755(4) 0.0372(2) 0.0438(17) Uani 1 18 f d . . .
H61 H 1.0300 0.8277 0.0330 0.053 Uiso 1 18 f calc R . .
C12 C 0.8376(4) 0.8286(4) 0.1301(2) 0.0307(14) Uani 1 18 f d . . .
C22 C 0.7887(4) 0.8326(4) 0.0970(2) 0.0370(15) Uani 1 18 f d . . .
H22 H 0.8074 0.8461 0.0667 0.044 Uiso 1 18 f calc R . .
C32 C 0.7130(4) 0.8168(4) 0.1086(2) 0.0420(17) Uani 1 18 f d . . .
H32 H 0.6788 0.8185 0.0859 0.050 Uiso 1 18 f calc R . .
C42 C 0.6848(4) 0.7982(4) 0.1526(3) 0.052(2) Uani 1 18 f d . . .
H42 H 0.6327 0.7889 0.1602 0.062 Uiso 1 18 f calc R . .
C52 C 0.7334(4) 0.7934(4) 0.1853(3) 0.0464(18) Uani 1 18 f d . . .
H52 H 0.7143 0.7795 0.2154 0.056 Uiso 1 18 f calc R . .
C62 C 0.8096(4) 0.8087(4) 0.1746(2) 0.0410(16) Uani 1 18 f d . . .
H62 H 0.8431 0.8058 0.1973 0.049 Uiso 1 18 f calc R . .
C13 C 0.9869(4) 0.8214(4) 0.1726(2) 0.0332(14) Uani 1 18 f d . . .
C23 C 1.0034(4) 0.8675(4) 0.2112(2) 0.0386(16) Uani 1 18 f d . . .
H23 H 0.9989 0.9147 0.2110 0.046 Uiso 1 18 f calc R . .
C33 C 1.0266(5) 0.8445(5) 0.2505(2) 0.0492(19) Uani 1 18 f d . . .
H33 H 1.0372 0.8753 0.2773 0.059 Uiso 1 18 f calc R . .
C43 C 1.0341(5) 0.7767(5) 0.2501(3) 0.052(2) Uani 1 18 f d . . .
H43 H 1.0501 0.7609 0.2768 0.062 Uiso 1 18 f calc R . .
C53 C 1.0187(5) 0.7316(5) 0.2113(3) 0.0508(19) Uani 1 18 f d . . .
H53 H 1.0248 0.6853 0.2114 0.061 Uiso 1 18 f calc R . .
C63 C 0.9945(4) 0.7531(4) 0.1720(2) 0.0419(16) Uani 1 18 f d . . .
H63 H 0.9833 0.7217 0.1453 0.050 Uiso 1 18 f calc R . .
Si1 Si 1.0000 1.0000 0.0000 0.0260(9) Uani 1 3 a d S . .
F2 F 0.9266(2) 0.9295(2) 0.03276(12) 0.0371(8) Uani 1 18 f d . . .
B1 B 0.6667 0.3333 0.0123(6) 0.061(4) Uani 1 6 c d S . .
F11 F 0.6667 0.3333 0.0585(3) 0.103(4) Uani 1 6 c d S . .
F21 F 0.5923(4) 0.3170(4) -0.0016(3) 0.111(2) Uani 1 18 f d . . .
C1A C 0.1698(7) 0.6330(7) 0.0710(4) 0.084(3) Uani 1 18 f d . . .
H1A H 0.2158 0.6460 0.0502 0.101 Uiso 0.564(6) 18 f calc PR A 1
H1B H 0.2195 0.6634 0.0523 0.101 Uiso 0.436(6) 18 f calc PR A 2
Cl1A Cl 0.2072(5) 0.6832(4) 0.1239(2) 0.121(2) Uiso 0.564(6) 18 f d P A 1
Cl2A Cl 0.1178(5) 0.5345(5) 0.0804(3) 0.132(3) Uiso 0.564(6) 18 f d P A 1
Cl3A Cl 0.1133(5) 0.6761(5) 0.0504(3) 0.150(3) Uiso 0.564(6) 18 f d P A 1
Cl1B Cl 0.0794(6) 0.5641(6) 0.0376(3) 0.123(3) Uiso 0.436(6) 18 f d P A 2
Cl2B Cl 0.1461(6) 0.6921(6) 0.1003(4) 0.135(4) Uiso 0.436(6) 18 f d P A 2
Cl3B Cl 0.1709(8) 0.5559(7) 0.1059(4) 0.155(4) Uiso 0.436(6) 18 f d P A 2
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Te Te -0.5308 1.6751 '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
0 -1 1 0.040000
0 1 -1 0.080000
1 -1 -1 0.060000
-1 1 1 0.060000
1 0 1 0.060000
-1 0 -1 0.060000
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
Te F1 Te 97.51(16) . 2_765 ?
Te F1 Te 97.51(16) . 3_675 ?
Te F1 Te 97.51(16) 2_765 3_675 ?
C12 Te C13 97.3(2) . . ?
C12 Te C11 96.6(2) . . ?
C13 Te C11 97.0(2) . . ?
C12 Te F1 86.33(17) . . ?
C13 Te F1 87.1(2) . . ?
C11 Te F1 174.6(2) . . ?
C12 Te F2 84.46(18) . . ?
C13 Te F2 176.78(19) . . ?
C11 Te F2 85.50(18) . . ?
F1 Te F2 90.27(13) . . ?
C21 C11 C61 120.4(6) . . ?
C21 C11 Te 124.6(5) . . ?
C61 C11 Te 115.0(5) . . ?
C11 C21 C31 119.6(7) . . ?
C11 C21 H21 120.2 . . ?
C31 C21 H21 120.2 . . ?
C41 C31 C21 120.0(7) . . ?
C41 C31 H31 120.0 . . ?
C21 C31 H31 120.0 . . ?
C51 C41 C31 120.2(7) . . ?
C51 C41 H41 119.9 . . ?
C31 C41 H41 119.9 . . ?
C41 C51 C61 120.2(7) . . ?
C41 C51 H51 119.9 . . ?
C61 C51 H51 119.9 . . ?
C11 C61 C51 119.5(7) . . ?
C11 C61 H61 120.2 . . ?
C51 C61 H61 120.2 . . ?
C22 C12 C62 120.2(6) . . ?
C22 C12 Te 118.1(4) . . ?
C62 C12 Te 121.4(5) . . ?
C32 C22 C12 118.7(6) . . ?
C32 C22 H22 120.6 . . ?
C12 C22 H22 120.6 . . ?
C22 C32 C42 121.8(7) . . ?
C22 C32 H32 119.1 . . ?
C42 C32 H32 119.1 . . ?
C52 C42 C32 119.1(7) . . ?
C52 C42 H42 120.4 . . ?
C32 C42 H42 120.4 . . ?
C62 C52 C42 120.4(7) . . ?
C62 C52 H52 119.8 . . ?
C42 C52 H52 119.8 . . ?
C52 C62 C12 119.8(7) . . ?
C52 C62 H62 120.1 . . ?
C12 C62 H62 120.1 . . ?
C23 C13 C63 121.1(6) . . ?
C23 C13 Te 117.7(5) . . ?
C63 C13 Te 121.0(5) . . ?
C13 C23 C33 119.6(7) . . ?
C13 C23 H23 120.2 . . ?
C33 C23 H23 120.2 . . ?
C43 C33 C23 119.6(7) . . ?
C43 C33 H33 120.2 . . ?
C23 C33 H33 120.2 . . ?
C33 C43 C53 120.6(7) . . ?
C33 C43 H43 119.7 . . ?
C53 C43 H43 119.7 . . ?
C43 C53 C63 120.7(7) . . ?
C43 C53 H53 119.7 . . ?
C63 C53 H53 119.7 . . ?
C53 C63 C13 118.4(7) . . ?
C53 C63 H63 120.8 . . ?
C13 C63 H63 120.8 . . ?
F2 Si1 F2 89.77(17) 3_675 10_775 ?
F2 Si1 F2 89.77(17) 3_675 11_565 ?
F2 Si1 F2 90.23(17) 10_775 11_565 ?
F2 Si1 F2 90.23(17) 3_675 2_765 ?
F2 Si1 F2 89.77(17) 10_775 2_765 ?
F2 Si1 F2 180.0(3) 11_565 2_765 ?
F2 Si1 F2 90.23(17) 3_675 . ?
F2 Si1 F2 180.000(1) 10_775 . ?
F2 Si1 F2 89.77(17) 11_565 . ?
F2 Si1 F2 90.23(17) 2_765 . ?
F2 Si1 F2 180.0(2) 3_675 12_655 ?
F2 Si1 F2 90.23(17) 10_775 12_655 ?
F2 Si1 F2 90.23(17) 11_565 12_655 ?
F2 Si1 F2 89.77(17) 2_765 12_655 ?
F2 Si1 F2 89.77(17) . 12_655 ?
Si1 F2 Te 123.32(17) . . ?
F21 B1 F21 111.3(8) 2_655 3_665 ?
F21 B1 F21 111.3(8) 2_655 . ?
F21 B1 F21 111.3(8) 3_665 . ?
F21 B1 F11 107.6(8) 2_655 . ?
F21 B1 F11 107.6(8) 3_665 . ?
F21 B1 F11 107.6(8) . . ?
Cl2A C1A Cl2B 118.3(8) . . ?
Cl2A C1A Cl3A 115.4(8) . . ?
Cl2B C1A Cl3A 54.6(5) . . ?
Cl2A C1A Cl1A 108.5(7) . . ?
Cl2B C1A Cl1A 49.4(5) . . ?
Cl3A C1A Cl1A 103.0(7) . . ?
Cl2A C1A Cl3B 38.9(5) . . ?
Cl2B C1A Cl3B 112.2(8) . . ?
Cl3A C1A Cl3B 146.9(9) . . ?
Cl1A C1A Cl3B 77.0(6) . . ?
Cl2A C1A Cl1B 57.5(5) . . ?
Cl2B C1A Cl1B 106.7(8) . . ?
Cl3A C1A Cl1B 64.9(6) . . ?
Cl1A C1A Cl1B 146.1(8) . . ?
Cl3B C1A Cl1B 96.4(7) . . ?
Cl2A C1A H1A 109.9 . . ?
Cl2B C1A H1A 131.3 . . ?
Cl3A C1A H1A 109.9 . . ?
Cl1A C1A H1A 109.9 . . ?
Cl3B C1A H1A 100.8 . . ?
Cl1B C1A H1A 104.0 . . ?
Cl2A C1A H1B 127.8 . . ?
Cl2B C1A H1B 113.4 . . ?
Cl3A C1A H1B 99.3 . . ?
Cl1A C1A H1B 99.4 . . ?
Cl3B C1A H1B 113.4 . . ?
Cl1B C1A H1B 113.4 . . ?
H1A C1A H1B 18.0 . . ?
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
F1 Te 2.673(3) . ?
F1 Te 2.673(3) 2_765 ?
F1 Te 2.673(3) 3_675 ?
Te C12 2.122(6) . ?
Te C13 2.131(6) . ?
Te C11 2.135(6) . ?
Te F2 2.887(4) . ?
C11 C21 1.380(9) . ?
C11 C61 1.385(9) . ?
C21 C31 1.384(10) . ?
C21 H21 0.9500 . ?
C31 C41 1.382(11) . ?
C31 H31 0.9500 . ?
C41 C51 1.373(12) . ?
C41 H41 0.9500 . ?
C51 C61 1.385(11) . ?
C51 H51 0.9500 . ?
C61 H61 0.9500 . ?
C12 C22 1.385(9) . ?
C12 C62 1.401(9) . ?
C22 C32 1.371(10) . ?
C22 H22 0.9500 . ?
C32 C42 1.388(10) . ?
C32 H32 0.9500 . ?
C42 C52 1.378(11) . ?
C42 H42 0.9500 . ?
C52 C62 1.375(10) . ?
C52 H52 0.9500 . ?
C62 H62 0.9500 . ?
C13 C23 1.380(9) . ?
C13 C63 1.390(10) . ?
C23 C33 1.392(10) . ?
C23 H23 0.9500 . ?
C33 C43 1.377(11) . ?
C33 H33 0.9500 . ?
C43 C53 1.378(11) . ?
C43 H43 0.9500 . ?
C53 C63 1.390(10) . ?
C53 H53 0.9500 . ?
C63 H63 0.9500 . ?
Si1 F2 1.686(3) 3_675 ?
Si1 F2 1.686(3) 10_775 ?
Si1 F2 1.686(3) 11_565 ?
Si1 F2 1.686(3) 2_765 ?
Si1 F2 1.686(3) . ?
Si1 F2 1.686(3) 12_655 ?
B1 F21 1.362(8) 2_655 ?
B1 F21 1.362(8) 3_665 ?
B1 F21 1.362(8) . ?
B1 F11 1.37(2) . ?
C1A Cl2A 1.659(13) . ?
C1A Cl2B 1.662(14) . ?
C1A Cl3A 1.768(14) . ?
C1A Cl1A 1.789(13) . ?
C1A Cl3B 1.813(16) . ?
C1A Cl1B 1.855(15) . ?
C1A H1A 1.0000 . ?
C1A H1B 1.0000 . ?
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
Te F1 Te C12 -153.3(2) 2_765 . . . ?
Te F1 Te C12 -54.69(19) 3_675 . . . ?
Te F1 Te C13 109.2(2) 2_765 . . . ?
Te F1 Te C13 -152.2(2) 3_675 . . . ?
Te F1 Te C11 -30.8(19) 2_765 . . . ?
Te F1 Te C11 67.9(19) 3_675 . . . ?
Te F1 Te F2 -68.91(13) 2_765 . . . ?
Te F1 Te F2 29.73(13) 3_675 . . . ?
C12 Te C11 C21 -28.4(6) . . . . ?
C13 Te C11 C21 69.8(6) . . . . ?
F1 Te C11 C21 -150.6(16) . . . . ?
F2 Te C11 C21 -112.3(6) . . . . ?
C12 Te C11 C61 151.0(5) . . . . ?
C13 Te C11 C61 -110.9(5) . . . . ?
F1 Te C11 C61 29(2) . . . . ?
F2 Te C11 C61 67.1(5) . . . . ?
C61 C11 C21 C31 0.4(11) . . . . ?
Te C11 C21 C31 179.7(6) . . . . ?
C11 C21 C31 C41 1.3(12) . . . . ?
C21 C31 C41 C51 -1.8(13) . . . . ?
C31 C41 C51 C61 0.6(13) . . . . ?
C21 C11 C61 C51 -1.6(11) . . . . ?
Te C11 C61 C51 179.0(6) . . . . ?
C41 C51 C61 C11 1.1(12) . . . . ?
C13 Te C12 C22 -169.7(5) . . . . ?
C11 Te C12 C22 -71.8(5) . . . . ?
F1 Te C12 C22 103.6(5) . . . . ?
F2 Te C12 C22 13.0(5) . . . . ?
C13 Te C12 C62 15.8(6) . . . . ?
C11 Te C12 C62 113.8(5) . . . . ?
F1 Te C12 C62 -70.8(5) . . . . ?
F2 Te C12 C62 -161.4(5) . . . . ?
C62 C12 C22 C32 -0.1(10) . . . . ?
Te C12 C22 C32 -174.6(5) . . . . ?
C12 C22 C32 C42 1.1(10) . . . . ?
C22 C32 C42 C52 -1.8(11) . . . . ?
C32 C42 C52 C62 1.5(11) . . . . ?
C42 C52 C62 C12 -0.5(11) . . . . ?
C22 C12 C62 C52 -0.2(10) . . . . ?
Te C12 C62 C52 174.1(5) . . . . ?
C12 Te C13 C23 -77.4(5) . . . . ?
C11 Te C13 C23 -174.9(5) . . . . ?
F1 Te C13 C23 8.6(5) . . . . ?
F2 Te C13 C23 45(4) . . . . ?
C12 Te C13 C63 107.2(5) . . . . ?
C11 Te C13 C63 9.6(6) . . . . ?
F1 Te C13 C63 -166.9(5) . . . . ?
F2 Te C13 C63 -130(3) . . . . ?
C63 C13 C23 C33 -1.2(10) . . . . ?
Te C13 C23 C33 -176.6(5) . . . . ?
C13 C23 C33 C43 1.0(11) . . . . ?
C23 C33 C43 C53 -0.1(12) . . . . ?
C33 C43 C53 C63 -0.7(12) . . . . ?
C43 C53 C63 C13 0.6(11) . . . . ?
C23 C13 C63 C53 0.3(10) . . . . ?
Te C13 C63 C53 175.6(5) . . . . ?
F2 Si1 F2 Te -87.57(5) 3_675 . . . ?
F2 Si1 F2 Te 59(100) 10_775 . . . ?
F2 Si1 F2 Te -177.3(2) 11_565 . . . ?
F2 Si1 F2 Te 2.7(2) 2_765 . . . ?
F2 Si1 F2 Te 92.43(5) 12_655 . . . ?
C12 Te F2 Si1 160.8(3) . . . . ?
C13 Te F2 Si1 38(3) . . . . ?
C11 Te F2 Si1 -102.2(3) . . . . ?
F1 Te F2 Si1 74.5(2) . . . . ?
loop_
_reflns_scale_group_code
_reflns_scale_meas_F
1 1.0
