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#$Date: 2016-03-22 11:22:13 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178896 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/25/4112515.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_4112515
loop_
_publ_author_name
'Hélène P. A. Mercier'
'Matthew D. Moran'
'Gary J. Schrobilgen'
'Christoph Steinberg'
'Reijo J. Suontamo'
_publ_section_title
;
 The Syntheses of Carbocations by Use of the Noble-Gas Oxidant,
 [XeOTeF5][Sb(OTeF5)6]: The Syntheses and Characterization of the CX3+ (X
 = Cl, Br, OTeF5) and CBr(OTeF5)2+ Cations and Theoretical Studies of CX3+
 and BX3 (X = F, Cl, Br, I, OTeF5)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5533
_journal_page_last               5548
_journal_paper_doi               10.1021/ja030649e
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C Cl3 F30 O6 Sb Te6'
_chemical_formula_weight         1671.71
_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-97
_cell_angle_alpha                104.111(5)
_cell_angle_beta                 103.507(5)
_cell_angle_gamma                98.851(5)
_cell_formula_units_Z            1
_cell_length_a                   8.7059(19)
_cell_length_b                   9.181(2)
_cell_length_c                   9.862(2)
_cell_measurement_temperature    100(2)
_cell_volume                     724.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.812
_diffrn_measured_fraction_theta_max 0.812
_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  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11841
_diffrn_reflns_theta_full        32.50
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    7.366
_exptl_crystal_density_diffrn    3.832
_exptl_crystal_F_000             738
_refine_diff_density_max         1.413
_refine_diff_density_min         -1.390
_refine_diff_density_rms         0.272
_refine_ls_extinction_coef       0.0016(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     228
_refine_ls_number_reflns         4270
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0355
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0736
_reflns_number_gt                3137
_reflns_number_total             4270
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja030649e_3.cif
_cod_data_source_block           CCl3+Sb(OTeF5)6-
_cod_database_code               4112515
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_calc_flag
_atom_site_refinement_flags
Sb1 Sb 1.0000 1.0000 0.5000 0.01075(12) Uani 1 d S
O1 O 1.0476(4) 1.2093(4) 0.4848(4) 0.0136(8) Uani 1 d .
Te1 Te 1.19837(3) 1.32988(4) 0.42906(4) 0.01334(9) Uani 1 d .
F1 F 1.1418(3) 1.2010(4) 0.2437(4) 0.0219(7) Uani 1 d .
F2 F 1.2683(3) 1.4701(4) 0.6103(4) 0.0234(8) Uani 1 d .
F3 F 1.3440(3) 1.4536(4) 0.3746(4) 0.0230(8) Uani 1 d .
F4 F 1.0492(3) 1.4380(4) 0.3726(4) 0.0215(7) Uani 1 d .
F5 F 1.3603(3) 1.2326(4) 0.4855(4) 0.0234(8) Uani 1 d .
O2 O 0.7893(4) 0.9564(5) 0.3569(4) 0.0154(8) Uani 1 d .
Te2 Te 0.63877(3) 1.06341(4) 0.29127(4) 0.01559(10) Uani 1 d .
F6 F 0.4848(3) 1.1624(4) 0.2189(4) 0.0256(8) Uani 1 d .
F7 F 0.4861(3) 0.9559(4) 0.3515(4) 0.0272(9) Uani 1 d .
F8 F 0.5693(3) 0.9143(4) 0.1160(4) 0.0262(8) Uani 1 d .
F9 F 0.6976(3) 1.2185(4) 0.4618(4) 0.0220(8) Uani 1 d .
F10 F 0.7764(3) 1.1749(4) 0.2187(4) 0.0256(8) Uani 1 d .
O3 O 1.0990(4) 0.9264(4) 0.3454(4) 0.0141(8) Uani 1 d .
Te3 Te 1.03665(4) 0.78996(4) 0.16046(4) 0.01588(10) Uani 1 d .
F11 F 1.2009(3) 0.8933(4) 0.1117(4) 0.0237(8) Uani 1 d .
F12 F 0.9811(4) 0.6517(4) -0.0218(4) 0.0305(9) Uani 1 d .
F13 F 0.8994(3) 0.8999(4) 0.0831(4) 0.0236(8) Uani 1 d .
F14 F 0.8640(4) 0.6717(4) 0.1906(4) 0.0295(9) Uani 1 d .
F15 F 1.1685(4) 0.6672(4) 0.2222(4) 0.0270(8) Uani 1 d .
C1 C 0.5313(8) 0.4968(14) 0.0197(12) 0.010(2) Uiso 0.50 d P
Cl1 Cl 0.6416(4) 0.3707(4) 0.0583(4) 0.0348(8) Uani 0.50 d P
Cl2 Cl 0.4249(4) 0.5551(5) 0.1253(4) 0.0433(10) Uani 0.50 d P
Cl3 Cl 0.5480(4) 0.5631(5) -0.1122(4) 0.0428(9) Uani 0.50 d P
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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_
_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
O2 Sb1 O2 180.000(1) 2_776 .
O2 Sb1 O1 90.46(15) 2_776 2_776
O2 Sb1 O1 89.54(15) . 2_776
O2 Sb1 O1 89.54(15) 2_776 .
O2 Sb1 O1 90.46(15) . .
O1 Sb1 O1 180.0(2) 2_776 .
O2 Sb1 O3 90.72(14) 2_776 2_776
O2 Sb1 O3 89.28(14) . 2_776
O1 Sb1 O3 90.88(15) 2_776 2_776
O1 Sb1 O3 89.12(15) . 2_776
O2 Sb1 O3 89.28(14) 2_776 .
O2 Sb1 O3 90.72(14) . .
O1 Sb1 O3 89.12(15) 2_776 .
O1 Sb1 O3 90.88(15) . .
O3 Sb1 O3 180.000(1) 2_776 .
Te1 O1 Sb1 138.07(17) . .
F4 Te1 F1 90.25(15) . .
F4 Te1 F2 89.66(15) . .
F1 Te1 F2 174.90(13) . .
F4 Te1 F3 88.28(14) . .
F1 Te1 F3 87.25(15) . .
F2 Te1 F3 87.65(15) . .
F4 Te1 F5 175.71(14) . .
F1 Te1 F5 90.65(15) . .
F2 Te1 F5 89.07(15) . .
F3 Te1 F5 87.57(14) . .
F4 Te1 O1 90.17(15) . .
F1 Te1 O1 93.44(15) . .
F2 Te1 O1 91.66(15) . .
F3 Te1 O1 178.31(14) . .
F5 Te1 O1 93.96(15) . .
F4 Te1 Cl3 90.44(11) . 2_775
F1 Te1 Cl3 59.91(11) . 2_775
F2 Te1 Cl3 115.00(11) . 2_775
F3 Te1 Cl3 27.41(12) . 2_775
F5 Te1 Cl3 86.38(12) . 2_775
O1 Te1 Cl3 153.34(12) . 2_775
F4 Te1 Cl2 127.66(12) . 2_776
F1 Te1 Cl2 141.66(11) . 2_776
F2 Te1 Cl2 38.01(12) . 2_776
F3 Te1 Cl2 88.30(12) . 2_776
F5 Te1 Cl2 51.11(12) . 2_776
O1 Te1 Cl2 92.11(12) . 2_776
Cl3 Te1 Cl2 108.39(7) 2_775 2_776
F4 Te1 Cl3 114.13(12) . 1_666
F1 Te1 Cl3 153.44(11) . 1_666
F2 Te1 Cl3 25.10(12) . 1_666
F3 Te1 Cl3 83.31(12) . 1_666
F5 Te1 Cl3 64.26(13) . 1_666
O1 Te1 Cl3 96.71(12) . 1_666
Cl3 Te1 Cl3 107.29(6) 2_775 1_666
Cl2 Te1 Cl3 14.10(7) 2_776 1_666
F4 Te1 Cl2 78.92(11) . 1_665
F1 Te1 Cl2 68.39(12) . 1_665
F2 Te1 Cl2 106.60(12) . 1_665
F3 Te1 Cl2 21.35(12) . 1_665
F5 Te1 Cl2 97.52(11) . 1_665
O1 Te1 Cl2 158.50(12) . 1_665
Cl3 Te1 Cl2 13.99(7) 2_775 1_665
Cl2 Te1 Cl2 109.24(6) 2_776 1_665
Cl3 Te1 Cl2 104.64(7) 1_666 1_665
Te1 F1 Cl3 95.93(13) . 2_775
Te1 F2 Cl3 140.12(18) . 1_666
Te1 F2 Cl1 164.54(19) . 2_776
Cl3 F2 Cl1 37.74(10) 1_666 2_776
Te1 F2 Cl2 122.32(16) . 2_776
Cl3 F2 Cl2 19.59(10) 1_666 2_776
Cl1 F2 Cl2 51.49(10) 2_776 2_776
Te1 F2 C1 140.9(2) . 2_776
Cl3 F2 C1 23.14(16) 1_666 2_776
Cl1 F2 C1 27.85(18) 2_776 2_776
Cl2 F2 C1 26.47(15) 2_776 2_776
Te1 F2 C1 138.0(2) . 1_666
Cl3 F2 C1 19.74(16) 1_666 1_666
Cl1 F2 C1 32.03(16) 2_776 1_666
Cl2 F2 C1 21.30(14) 2_776 1_666
C1 F2 C1 5.2(3) 2_776 1_666
Te1 F3 Cl3 135.86(18) . 2_775
Te1 F3 Cl2 145.90(17) . 1_665
Cl3 F3 Cl2 21.79(10) 2_775 1_665
Te1 F4 Cl1 138.28(16) . 1_565
Te1 F5 Cl2 106.40(15) . 2_776
Te2 O2 Sb1 138.2(2) . .
F9 Te2 F8 176.20(14) . .
F9 Te2 F7 91.17(15) . .
F8 Te2 F7 88.53(15) . .
F9 Te2 F10 90.56(15) . .
F8 Te2 F10 89.40(16) . .
F7 Te2 F10 174.63(14) . .
F9 Te2 F6 88.01(15) . .
F8 Te2 F6 88.19(16) . .
F7 Te2 F6 88.22(14) . .
F10 Te2 F6 86.77(14) . .
F9 Te2 O2 94.48(15) . .
F8 Te2 O2 89.31(16) . .
F7 Te2 O2 91.24(15) . .
F10 Te2 O2 93.69(15) . .
F6 Te2 O2 177.46(16) . .
F9 Te2 Cl1 91.22(13) . 1_565
F8 Te2 Cl1 86.34(13) . 1_565
F7 Te2 Cl1 135.45(11) . 1_565
F10 Te2 Cl1 39.40(11) . 1_565
F6 Te2 Cl1 47.44(11) . 1_565
O2 Te2 Cl1 132.85(12) . 1_565
F9 Te2 Cl2 138.96(12) . .
F8 Te2 Cl2 42.63(13) . .
F7 Te2 Cl2 53.26(12) . .
F10 Te2 Cl2 126.86(12) . .
F6 Te2 Cl2 108.03(12) . .
O2 Te2 Cl2 69.71(12) . .
Cl1 Te2 Cl2 127.69(7) 1_565 .
F9 Te2 Cl1 159.80(11) . 2_665
F8 Te2 Cl1 19.71(11) . 2_665
F7 Te2 Cl1 68.83(12) . 2_665
F10 Te2 Cl1 109.10(12) . 2_665
F6 Te2 Cl1 88.51(12) . 2_665
O2 Te2 Cl1 88.98(12) . 2_665
Cl1 Te2 Cl1 100.98(6) 1_565 2_665
Cl2 Te2 Cl1 26.78(7) . 2_665
F9 Te2 Cl3 81.55(12) . 2_675
F8 Te2 Cl3 95.04(13) . 2_675
F7 Te2 Cl3 111.51(12) . 2_675
F10 Te2 Cl3 63.75(11) . 2_675
F6 Te2 Cl3 24.17(11) . 2_675
O2 Te2 Cl3 156.90(12) . 2_675
Cl1 Te2 Cl3 25.75(6) 1_565 2_675
Cl2 Te2 Cl3 126.93(7) . 2_675
Cl1 Te2 Cl3 102.61(7) 2_665 2_675
Te2 F6 Cl3 141.23(16) . 2_675
Te2 F6 Cl1 106.82(13) . 1_565
Cl3 F6 Cl1 37.88(10) 2_675 1_565
Te2 F6 Cl2 143.23(14) . 1_565
Cl3 F6 Cl2 7.77(9) 2_675 1_565
Cl1 F6 Cl2 44.19(9) 1_565 1_565
Te2 F6 C1 128.67(16) . 1_565
Cl3 F6 C1 15.75(15) 2_675 1_565
Cl1 F6 C1 22.54(13) 1_565 1_565
Cl2 F6 C1 22.90(15) 1_565 1_565
Te2 F7 Cl2 103.35(14) . .
Te2 F8 Cl1 147.73(18) . 2_665
Te2 F8 Cl2 115.88(17) . .
Cl1 F8 Cl2 37.82(11) 2_665 .
Te2 F8 Cl3 153.84(18) . .
Cl1 F8 Cl3 35.65(9) 2_665 .
Cl2 F8 Cl3 48.91(10) . .
Te2 F8 C1 138.6(2) . 2_665
Cl1 F8 C1 27.22(14) 2_665 2_665
Cl2 F8 C1 25.54(19) . 2_665
Cl3 F8 C1 23.41(19) . 2_665
Te2 F8 C1 131.9(2) . .
Cl1 F8 C1 36.80(14) 2_665 .
Cl2 F8 C1 25.89(17) . .
Cl3 F8 C1 25.72(19) . .
C1 F8 C1 9.6(2) 2_665 .
Te2 F10 Cl1 116.68(14) . 1_565
Te2 F10 Cl3 92.54(11) . 2_675
Cl1 F10 Cl3 26.32(8) 1_565 2_675
Te3 O3 Sb1 137.96(17) . .
F11 Te3 F13 90.29(15) . .
F11 Te3 F15 89.77(15) . .
F13 Te3 F15 174.95(15) . .
F11 Te3 F12 87.74(15) . .
F13 Te3 F12 87.80(16) . .
F15 Te3 F12 87.16(16) . .
F11 Te3 F14 174.09(15) . .
F13 Te3 F14 89.19(16) . .
F15 Te3 F14 90.23(17) . .
F12 Te3 F14 86.35(15) . .
F11 Te3 O3 91.55(15) . .
F13 Te3 O3 94.10(15) . .
F15 Te3 O3 90.94(16) . .
F12 Te3 O3 177.98(15) . .
F14 Te3 O3 94.36(15) . .
F11 Te3 Cl1 49.26(12) . 2_765
F13 Te3 Cl1 119.52(11) . 2_765
F15 Te3 Cl1 57.25(12) . 2_765
F12 Te3 Cl1 54.25(11) . 2_765
F14 Te3 Cl1 126.46(12) . 2_765
O3 Te3 Cl1 124.01(10) . 2_765
F11 Te3 Cl2 65.43(12) . 1_655
F13 Te3 Cl2 147.79(11) . 1_655
F15 Te3 Cl2 29.28(12) . 1_655
F12 Te3 Cl2 71.21(12) . 1_655
F14 Te3 Cl2 112.73(13) . 1_655
O3 Te3 Cl2 106.78(11) . 1_655
Cl1 Te3 Cl2 28.31(7) 2_765 1_655
F11 Te3 Cl3 128.28(11) . .
F13 Te3 Cl3 59.16(12) . .
F15 Te3 Cl3 117.23(13) . .
F12 Te3 Cl3 53.73(12) . .
F14 Te3 Cl3 46.99(12) . .
O3 Te3 Cl3 127.96(10) . .
Cl1 Te3 Cl3 107.96(7) 2_765 .
Cl2 Te3 Cl3 119.03(7) 1_655 .
F11 Te3 Cl1 149.34(12) . .
F13 Te3 Cl1 93.80(12) . .
F15 Te3 Cl1 83.62(12) . .
F12 Te3 Cl1 62.12(12) . .
F14 Te3 Cl1 24.93(11) . .
O3 Te3 Cl1 118.37(12) . .
Cl1 Te3 Cl1 103.58(6) 2_765 .
Cl2 Te3 Cl1 97.29(7) 1_655 .
Cl3 Te3 Cl1 37.01(7) . .
F11 Te3 C1 148.55(18) . .
F13 Te3 C1 72.63(17) . .
F15 Te3 C1 104.99(18) . .
F12 Te3 C1 65.92(18) . .
F14 Te3 C1 26.44(18) . .
O3 Te3 C1 115.32(17) . .
Cl1 Te3 C1 116.84(15) 2_765 .
Cl2 Te3 C1 117.19(15) 1_655 .
Cl3 Te3 C1 20.65(15) . .
Cl1 Te3 C1 21.46(14) . .
F11 Te3 Cl2 130.41(12) . 2_665
F13 Te3 Cl2 73.21(12) . 2_665
F15 Te3 Cl2 103.00(13) . 2_665
F12 Te3 Cl2 46.35(11) . 2_665
F14 Te3 Cl2 43.95(12) . 2_665
O3 Te3 Cl2 134.96(10) . 2_665
Cl1 Te3 Cl2 98.90(7) 2_765 2_665
Cl2 Te3 Cl2 105.74(5) 1_655 2_665
Cl3 Te3 Cl2 14.40(7) . 2_665
Cl1 Te3 Cl2 26.62(7) . 2_665
C1 Te3 Cl2 19.74(15) . 2_665
Te3 F11 Cl1 105.83(16) . 2_765
Te3 F11 Cl2 89.66(14) . 1_655
Cl1 F11 Cl2 31.93(9) 2_765 1_655
Te3 F12 Cl1 99.93(14) . 2_765
Te3 F12 Cl2 111.54(15) . 2_665
Cl1 F12 Cl2 143.83(14) 2_765 2_665
Te3 F12 Cl3 101.84(14) . .
Cl1 F12 Cl3 158.14(14) 2_765 .
Cl2 F12 Cl3 18.26(9) 2_665 .
Te3 F12 Cl1 93.76(13) . .
Cl1 F12 Cl1 133.22(12) 2_765 .
Cl2 F12 Cl1 31.46(9) 2_665 .
Cl3 F12 Cl1 43.23(9) . .
Te3 F12 C1 89.99(19) . .
Cl1 F12 C1 156.5(2) 2_765 .
Cl2 F12 C1 21.77(17) 2_665 .
Cl3 F12 C1 22.60(16) . .
Cl1 F12 C1 23.82(16) . .
Te3 F12 Cl2 83.78(13) . 1_655
Cl1 F12 Cl2 30.29(9) 2_765 1_655
Cl2 F12 Cl2 134.92(11) 2_665 1_655
Cl3 F12 Cl2 152.08(14) . 1_655
Cl1 F12 Cl2 109.64(12) . 1_655
C1 F12 Cl2 132.59(19) . 1_655
Te3 F13 Cl3 96.07(15) . .
Te3 F14 Cl1 139.64(17) . .
Te3 F14 C1 137.5(3) . .
Cl1 F14 C1 33.0(2) . .
Te3 F14 Cl3 109.45(16) . .
Cl1 F14 Cl3 52.39(11) . .
C1 F14 Cl3 28.2(2) . .
Te3 F14 Cl2 114.33(15) . 2_665
Cl1 F14 Cl2 36.83(11) . 2_665
C1 F14 Cl2 26.5(2) . 2_665
Cl3 F14 Cl2 18.99(9) . 2_665
Te3 F14 C1 133.3(3) . 2_665
Cl1 F14 C1 39.1(2) . 2_665
C1 F14 C1 6.2(4) . 2_665
Cl3 F14 C1 24.0(2) . 2_665
Cl2 F14 C1 26.74(19) 2_665 2_665
Te3 F14 Cl2 148.92(19) . .
Cl1 F14 Cl2 48.89(10) . .
C1 F14 Cl2 25.2(2) . .
Cl3 F14 Cl2 46.81(9) . .
Cl2 F14 Cl2 51.33(11) 2_665 .
C1 F14 Cl2 24.89(19) 2_665 .
Te3 F14 Cl3 158.76(18) . 2_665
Cl1 F14 Cl3 32.34(10) . 2_665
C1 F14 Cl3 21.4(2) . 2_665
Cl3 F14 Cl3 49.31(11) . 2_665
Cl2 F14 Cl3 46.11(9) 2_665 2_665
C1 F14 Cl3 25.4(2) 2_665 2_665
Cl2 F14 Cl3 17.65(9) . 2_665
Te3 F15 Cl2 132.43(19) . 1_655
Te3 F15 Cl1 96.71(14) . 2_765
Cl2 F15 Cl1 36.22(11) 1_655 2_765
Te3 F15 Cl3 142.10(16) . 2_765
Cl2 F15 Cl3 13.92(11) 1_655 2_765
Cl1 F15 Cl3 45.88(9) 2_765 2_765
C1 C1 Cl3 94(2) 2_665 2_665
C1 C1 Cl2 84(2) 2_665 2_665
Cl3 C1 Cl2 141.3(9) 2_665 2_665
C1 C1 Cl3 63(2) 2_665 .
Cl3 C1 Cl3 157.5(5) 2_665 .
Cl2 C1 Cl3 42.1(4) 2_665 .
C1 C1 Cl2 74.1(19) 2_665 .
Cl3 C1 Cl2 43.3(4) 2_665 .
Cl2 C1 Cl2 157.7(6) 2_665 .
Cl3 C1 Cl2 123.1(7) . .
C1 C1 Cl1 144(3) 2_665 .
Cl3 C1 Cl1 79.3(6) 2_665 .
Cl2 C1 Cl1 80.2(5) 2_665 .
Cl3 C1 Cl1 118.5(6) . .
Cl2 C1 Cl1 118.2(7) . .
C1 C1 Cl1 26.8(19) 2_665 2_665
Cl3 C1 Cl1 99.3(4) 2_665 2_665
Cl2 C1 Cl1 95.6(5) 2_665 2_665
Cl3 C1 Cl1 60.8(4) . 2_665
Cl2 C1 Cl1 64.1(3) . 2_665
Cl1 C1 Cl1 170.5(6) . 2_665
C1 C1 F14 142(2) 2_665 .
Cl3 C1 F14 109.4(5) 2_665 .
Cl2 C1 F14 94.7(4) 2_665 .
Cl3 C1 F14 90.2(4) . .
Cl2 C1 F14 102.7(5) . .
Cl1 C1 F14 72.0(3) . .
Cl1 C1 F14 117.1(5) 2_665 .
C1 C1 F14 32(2) 2_665 2_665
Cl3 C1 F14 74.2(3) 2_665 2_665
Cl2 C1 F14 84.8(4) 2_665 2_665
Cl3 C1 F14 85.3(4) . 2_665
Cl2 C1 F14 76.3(3) . 2_665
Cl1 C1 F14 114.0(5) . 2_665
Cl1 C1 F14 56.9(2) 2_665 2_665
F14 C1 F14 173.8(4) . 2_665
C1 C1 F2 143(2) 2_665 2_776
Cl3 C1 F2 57.0(4) 2_665 2_776
Cl2 C1 F2 133.4(4) 2_665 2_776
Cl3 C1 F2 142.6(5) . 2_776
Cl2 C1 F2 68.9(4) . 2_776
Cl1 C1 F2 59.8(3) . 2_776
Cl1 C1 F2 127.3(4) 2_665 2_776
F14 C1 F2 52.71(17) . 2_776
F14 C1 F2 131.2(3) 2_665 2_776
C1 Cl1 Cl3 44.9(4) . 2_665
C1 Cl1 Cl2 47.3(4) . 2_665
Cl3 Cl1 Cl2 87.41(18) 2_665 2_665
C1 Cl1 C1 9.5(6) . 2_665
Cl3 Cl1 C1 44.4(3) 2_665 2_665
Cl2 Cl1 C1 43.9(3) 2_665 2_665
C1 Cl1 Cl3 29.9(4) . .
Cl3 Cl1 Cl3 74.14(17) 2_665 .
Cl2 Cl1 Cl3 20.60(13) 2_665 .
C1 Cl1 Cl3 30.1(3) 2_665 .
C1 Cl1 Cl2 30.2(4) . .
Cl3 Cl1 Cl2 18.84(15) 2_665 .
Cl2 Cl1 Cl2 76.87(17) 2_665 .
C1 Cl1 Cl2 33.3(3) 2_665 .
Cl3 Cl1 Cl2 60.03(13) . .
C1 Cl1 F8 101.9(4) . 2_665
Cl3 Cl1 F8 88.05(18) 2_665 2_665
Cl2 Cl1 F8 85.39(18) 2_665 2_665
C1 Cl1 F8 92.5(3) 2_665 2_665
Cl3 Cl1 F8 100.49(16) . 2_665
Cl2 Cl1 F8 102.54(14) . 2_665
C1 Cl1 F10 157.4(4) . 1_545
Cl3 Cl1 F10 113.68(19) 2_665 1_545
Cl2 Cl1 F10 154.6(2) 2_665 1_545
C1 Cl1 F10 157.8(3) 2_665 1_545
Cl3 Cl1 F10 172.08(16) . 1_545
Cl2 Cl1 F10 127.23(17) . 1_545
F8 Cl1 F10 81.53(14) 2_665 1_545
C1 Cl1 F14 75.0(4) . .
Cl3 Cl1 F14 95.85(19) 2_665 .
Cl2 Cl1 F14 85.82(18) 2_665 .
C1 Cl1 F14 84.1(3) 2_665 .
Cl3 Cl1 F14 72.12(14) . .
Cl2 Cl1 F14 79.60(14) . .
F8 Cl1 F14 170.21(17) 2_665 .
F10 Cl1 F14 104.93(15) 1_545 .
C1 Cl1 F2 92.4(4) . 2_776
Cl3 Cl1 F2 69.79(16) 2_665 2_776
Cl2 Cl1 F2 133.9(2) 2_665 2_776
C1 Cl1 F2 99.6(3) 2_665 2_776
Cl3 Cl1 F2 113.55(16) . 2_776
Cl2 Cl1 F2 69.00(13) . 2_776
F8 Cl1 F2 130.95(16) 2_665 2_776
F10 Cl1 F2 69.61(13) 1_545 2_776
F14 Cl1 F2 58.80(11) . 2_776
Cl3 Cl2 C1 71.0(5) 2_665 2_665
Cl3 Cl2 C1 60.1(5) 2_665 .
C1 Cl2 C1 22.3(6) 2_665 .
Cl3 Cl2 Cl1 119.1(3) 2_665 2_665
C1 Cl2 Cl1 52.5(4) 2_665 2_665
C1 Cl2 Cl1 72.0(4) . 2_665
Cl3 Cl2 Cl3 86.4(3) 2_665 .
C1 Cl2 Cl3 18.5(4) 2_665 .
C1 Cl2 Cl3 28.3(4) . .
Cl1 Cl2 Cl3 44.94(14) 2_665 .
Cl3 Cl2 Cl1 34.6(2) 2_665 .
C1 Cl2 Cl1 51.1(4) 2_665 .
C1 Cl2 Cl1 31.6(4) . .
Cl1 Cl2 Cl1 103.13(17) 2_665 .
Cl3 Cl2 Cl1 59.93(14) . .
Cl3 Cl2 F15 128.5(3) 2_665 1_455
C1 Cl2 F15 138.1(4) 2_665 1_455
C1 Cl2 F15 160.3(4) . 1_455
Cl1 Cl2 F15 89.33(17) 2_665 1_455
Cl3 Cl2 F15 134.1(2) . 1_455
Cl1 Cl2 F15 162.8(2) . 1_455
Cl3 Cl2 F3 74.6(3) 2_665 1_445
C1 Cl2 F3 145.0(5) 2_665 1_445
C1 Cl2 F3 132.4(5) . 1_445
Cl1 Cl2 F3 150.73(17) 2_665 1_445
Cl3 Cl2 F3 160.6(2) . 1_445
Cl1 Cl2 F3 100.99(17) . 1_445
F15 Cl2 F3 63.98(12) 1_455 1_445
Cl3 Cl2 Cl2 65.1(2) 2_665 2_665
C1 Cl2 Cl2 11.3(3) 2_665 2_665
C1 Cl2 Cl2 11.0(3) . 2_665
Cl1 Cl2 Cl2 62.25(17) 2_665 2_665
Cl3 Cl2 Cl2 21.38(12) . 2_665
Cl1 Cl2 Cl2 40.89(13) . 2_665
F15 Cl2 Cl2 149.4(2) 1_455 2_665
F3 Cl2 Cl2 139.4(3) 1_445 2_665
Cl3 Cl2 F2 64.7(3) 2_665 2_776
C1 Cl2 F2 106.9(3) 2_665 2_776
C1 Cl2 F2 84.6(4) . 2_776
Cl1 Cl2 F2 146.19(17) 2_665 2_776
Cl3 Cl2 F2 106.21(13) . 2_776
Cl1 Cl2 F2 59.51(12) . 2_776
F15 Cl2 F2 115.01(15) 1_455 2_776
F3 Cl2 F2 62.15(11) 1_445 2_776
Cl2 Cl2 F2 95.59(16) 2_665 2_776
Cl2 Cl3 C1 76.6(5) 2_665 2_665
Cl2 Cl3 C1 66.9(5) 2_665 .
C1 Cl3 C1 22.5(5) 2_665 .
Cl2 Cl3 Cl1 126.6(3) 2_665 2_665
C1 Cl3 Cl1 55.8(4) 2_665 2_665
C1 Cl3 Cl1 74.8(3) . 2_665
Cl2 Cl3 Cl1 40.3(3) 2_665 .
C1 Cl3 Cl1 50.6(4) 2_665 .
C1 Cl3 Cl1 31.6(4) . .
Cl1 Cl3 Cl1 105.86(17) 2_665 .
Cl2 Cl3 Cl2 93.6(3) 2_665 .
C1 Cl3 Cl2 20.2(5) 2_665 .
C1 Cl3 Cl2 28.5(4) . .
Cl1 Cl3 Cl2 47.65(16) 2_665 .
Cl1 Cl3 Cl2 60.05(14) . .
Cl2 Cl3 F3 83.7(3) 2_665 2_775
C1 Cl3 F3 155.2(5) 2_665 2_775
C1 Cl3 F3 149.9(5) . 2_775
Cl1 Cl3 F3 131.6(2) 2_665 2_775
Cl1 Cl3 F3 118.89(18) . 2_775
Cl2 Cl3 F3 175.0(2) . 2_775
Cl2 Cl3 Cl3 71.2(3) 2_665 2_665
C1 Cl3 Cl3 11.9(3) 2_665 2_665
C1 Cl3 Cl3 10.6(2) . 2_665
Cl1 Cl3 Cl3 65.69(17) 2_665 2_665
Cl1 Cl3 Cl3 40.17(13) . 2_665
Cl2 Cl3 Cl3 22.37(11) . 2_665
F3 Cl3 Cl3 154.5(3) 2_775 2_665
Cl2 Cl3 F6 151.3(3) 2_665 2_675
C1 Cl3 F6 129.6(5) 2_665 2_675
C1 Cl3 F6 141.8(5) . 2_675
Cl1 Cl3 F6 74.64(18) 2_665 2_675
Cl1 Cl3 F6 163.34(19) . 2_675
Cl2 Cl3 F6 114.7(2) . 2_675
F3 Cl3 F6 67.80(12) 2_775 2_675
Cl3 Cl3 F6 136.9(2) 2_665 2_675
Cl2 Cl3 F2 95.7(3) 2_665 1_444
C1 Cl3 F2 99.9(4) 2_665 1_444
C1 Cl3 F2 120.0(3) . 1_444
Cl1 Cl3 F2 72.46(16) 2_665 1_444
Cl1 Cl3 F2 125.75(18) . 1_444
Cl2 Cl3 F2 109.29(14) . 1_444
F3 Cl3 F2 67.05(11) 2_775 1_444
Cl3 Cl3 F2 110.58(19) 2_665 1_444
F6 Cl3 F2 70.65(13) 2_675 1_444
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O2 1.951(3) 2_776
Sb1 O2 1.951(3) .
Sb1 O1 1.952(4) 2_776
Sb1 O1 1.952(4) .
Sb1 O3 1.953(3) 2_776
Sb1 O3 1.953(3) .
O1 Te1 1.854(3) .
Te1 F4 1.820(3) .
Te1 F1 1.825(3) .
Te1 F2 1.830(3) .
Te1 F3 1.832(3) .
Te1 F5 1.833(3) .
Te1 Cl3 4.433(4) 2_775
Te1 Cl2 4.596(4) 2_776
Te1 Cl3 4.599(4) 1_666
Te1 Cl2 4.654(4) 1_665
F1 Cl3 3.856(5) 2_775
F2 Cl3 3.042(5) 1_666
F2 Cl1 3.091(5) 2_776
F2 Cl2 3.349(5) 2_776
F2 C1 3.574(11) 2_776
F2 C1 4.079(11) 1_666
F3 Cl3 2.931(5) 2_775
F3 Cl2 3.022(5) 1_665
F4 Cl1 3.979(5) 1_565
F5 Cl2 3.729(5) 2_776
O2 Te2 1.847(3) .
Te2 F9 1.823(3) .
Te2 F8 1.825(3) .
Te2 F7 1.829(3) .
Te2 F10 1.838(3) .
Te2 F6 1.838(3) .
Te2 Cl1 4.050(4) 1_565
Te2 Cl2 4.483(5) .
Te2 Cl1 4.484(4) 2_665
Te2 Cl3 4.566(4) 2_675
F6 Cl3 2.986(6) 2_675
F6 Cl1 3.117(5) 1_565
F6 Cl2 4.012(6) 1_565
F6 C1 4.047(12) 1_565
F7 Cl2 3.693(6) .
F8 Cl1 2.833(5) 2_665
F8 Cl2 3.375(6) .
F8 Cl3 3.403(6) .
F8 C1 3.575(12) 2_665
F8 C1 3.659(12) .
F10 Cl1 2.877(5) 1_565
F10 Cl3 4.099(5) 2_675
O3 Te3 1.845(4) .
Te3 F11 1.817(3) .
Te3 F13 1.830(3) .
Te3 F15 1.834(3) .
Te3 F12 1.835(3) .
Te3 F14 1.841(3) .
Te3 Cl1 4.150(3) 2_765
Te3 Cl2 4.315(4) 1_655
Te3 Cl3 4.343(4) .
Te3 Cl1 4.481(4) .
Te3 C1 4.495(9) .
Te3 Cl2 4.535(4) 2_665
F11 Cl1 3.268(5) 2_765
F11 Cl2 3.925(6) 1_655
F12 Cl1 3.419(4) 2_765
F12 Cl2 3.528(5) 2_665
F12 Cl3 3.578(5) .
F12 Cl1 3.969(5) .
F12 C1 4.104(9) .
F12 Cl2 4.109(5) 1_655
F13 Cl3 3.750(5) .
F14 Cl1 2.916(5) .
F14 C1 2.962(9) .
F14 Cl3 3.368(5) .
F14 Cl2 3.454(5) 2_665
F14 C1 3.464(9) 2_665
F14 Cl2 3.664(4) .
F14 Cl3 3.691(5) 2_665
F15 Cl2 2.859(4) 1_655
F15 Cl1 3.514(5) 2_765
F15 Cl3 3.670(5) 2_765
C1 C1 0.611(16) 2_665
C1 Cl3 1.426(12) 2_665
C1 Cl2 1.549(12) 2_665
C1 Cl3 1.591(12) .
C1 Cl2 1.600(11) .
C1 Cl1 1.671(10) .
C1 Cl1 2.194(10) 2_665
C1 F14 3.464(9) 2_665
C1 F2 3.574(11) 2_776
Cl1 Cl3 1.984(5) 2_665
Cl1 Cl2 2.076(6) 2_665
Cl1 C1 2.194(10) 2_665
Cl1 Cl3 2.804(5) .
Cl1 Cl2 2.807(5) .
Cl1 F8 2.833(5) 2_665
Cl1 F10 2.877(5) 1_545
Cl1 F2 3.091(5) 2_776
Cl2 Cl3 1.129(5) 2_665
Cl2 C1 1.549(12) 2_665
Cl2 Cl1 2.076(6) 2_665
Cl2 Cl3 2.807(5) .
Cl2 F15 2.859(4) 1_455
Cl2 F3 3.022(5) 1_445
Cl2 Cl2 3.089(7) 2_665
Cl2 F2 3.349(5) 2_776
Cl3 Cl2 1.129(5) 2_665
Cl3 C1 1.426(12) 2_665
Cl3 Cl1 1.984(5) 2_665
Cl3 F3 2.931(5) 2_775
Cl3 Cl3 2.959(7) 2_665
Cl3 F6 2.986(6) 2_675
Cl3 F2 3.042(5) 1_444
