Bis{bis[2-(dimethylaminomethyl)phenyl]hydroxytelluronium} hexafluorosilicate chloroform tetrasolvate
Klapötke, Thomas M.; Krumm, Burkhard; Scherr, Matthias; Acta Crystallographica Section E 63 (2007) o4189–o4189; doi:10.1107/S1600536807047253

data_2215392
_publ_section_title
;
 Bis{bis[2-(dimethylaminomethyl)phenyl]hydroxytelluronium}
 hexafluorosilicate chloroform tetrasolvate
;
_journal_coeditor_code           BT2520
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4189
_journal_page_last               o4189
_journal_paper_doi               10.1107/S1600536807047253
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '2C18 H25 N2 O Te + , F6 Si 2- , 4C H Cl3'
_chemical_formula_moiety         '2C18 H25 N2 O Te + , F6 Si 2- , 4C H Cl3'
_chemical_formula_sum            'C40 H54 Cl12 F6 N4 O2 Si Te2'
_chemical_formula_weight         1445.56
_chemical_name_systematic
;
Bis{bis[2-(dimethylaminomethyl)phenyl]hydroxytelluronium} hexafluorosilicate
chloroform tetrasolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_code                (N,N)2TeOH_SiF6_CHCl3_cx259_Scherr
_audit_creation_method           'form98_non/compatible with shelxl97-2'
_cell_angle_alpha                90.0
_cell_angle_beta                 112.310(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.3260(2)
_cell_length_b                   26.7485(5)
_cell_length_c                   12.1579(3)
_cell_measurement_reflns_used    10976
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.9998
_cell_measurement_theta_min      3.7896
_cell_volume                     2805.84(12)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 15.9809
_diffrn_measured_fraction_theta_full 0.9962
_diffrn_measured_fraction_theta_max 0.9962
_diffrn_measurement_device_type  'Oxford Xcalibur3 CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12419
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.80
_exptl_absorpt_coefficient_mu    1.690
_exptl_absorpt_correction_T_max  0.76000
_exptl_absorpt_correction_T_min  0.68222
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.71107(9)
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1428
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.698
_refine_diff_density_min         -0.468
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         5303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0223
_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/[\s^2^(Fo^2^)+(0.0248P)^2^+1.7973P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0533
_reflns_number_gt                4543
_reflns_number_total             5303
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt2520.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C40 H54 Cl12 F6 N4 O2 Si1 Te2'
_cod_database_code               2215392