Crystal structure of tris(triphenyltelluronium) fluoride tetrafluoroborate hemi(hexafluorosilicate) chloroform trisolvate, [Te(C~6~H~5~)~3~]~3~ [F][BF~4~][SiF~6~]~0.5~ · 3CHCl~3~
Klapötke, T. M.; Krumm, B.; Schwab, I.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 594–596; doi:

data_8101876
_publ_section_title
;
Crystal structure of tris(triphenyltelluronium) fluoride tetrafluoroborate 
hemi(hexafluorosilicate) chloroform trisolvate, [Te(C~6~H~5~)~3~]~3~
[F][BF~4~][SiF~6~]~0.5~ &#x00B7; 3CHCl~3~
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur 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 G\"ottingen, 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 \k-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/[\s^2^(Fo^2^)+(0.0638P)^2^+174.3099P] where P=(Fo^2^+2Fc^2^)/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