Benzyltriethylammonium 2,2,2,4-tetrachloro-2,5-dihydro-1,2λ^5^-oxatellurole
Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Caracelli, I.; Acta Crystallographica Section C 56 (2000) 897–898; doi:10.1107/S0108270100005515

data_2011113
_publ_section_title
;
 Benzyltriethylammonium
 2,2,2,4-tetrachloro-2,5-dihydro-1,2\l^5^-oxatellurole
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              897
_journal_page_last               898
_journal_paper_doi               10.1107/S0108270100005515
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          'C13 H22 N 1+, C3 H3 Cl4 O Te 1-'
_chemical_formula_moiety         'C13 H22 N 1+, C3 H3 Cl4 O Te 1-'
_chemical_formula_sum            'C16 H25 Cl4 N O Te'
_chemical_formula_weight         516.77
_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'
_cell_angle_alpha                94.403(4)
_cell_angle_beta                 103.025(4)
_cell_angle_gamma                98.284(4)
_cell_formula_units_Z            2
_cell_length_a                   7.5837(4)
_cell_length_b                   11.2598(5)
_cell_length_c                   12.8491(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.10
_cell_measurement_theta_min      9.74
_cell_volume                     1051.00(10)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius,1989)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1995)'
_computing_publication_material
;
SHELXL97 (Sheldrick, 1997), PARST95 (Nardelli, 1995)
and WinGX (Farrugia, 1998)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .999
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .012
_diffrn_reflns_av_sigmaI/netI    .0182
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            4119
_diffrn_reflns_theta_full        25.47
_diffrn_reflns_theta_max         25.47
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        -1.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.926
_exptl_absorpt_correction_T_max  .678
_exptl_absorpt_correction_T_min  .539
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             512
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .20
_refine_diff_density_max         .571
_refine_diff_density_min         -.536
_refine_ls_extinction_coef       .0339(10)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     212
_refine_ls_number_reflns         3906
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          .025
_refine_ls_R_factor_gt           .022
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0329P)^2^+0.4285P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .059
_reflns_number_gt                3633
_reflns_number_total             3906
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fg1599.cif
_cod_data_source_block           I
_cod_original_cell_volume        1051.00(9)
_cod_database_code               2011113
_cod_database_fobs_code          2011113