Triphenyltellurium chloride
Chopra, Ambika; Jain, Shalini; Srivastava, Sanjay K.; Gupta, Sushil K.; Butcher, Ray J.; Acta Crystallographica Section E 70 (2014) o421–o422; doi:10.1107/S160053681400498X

data_2239218
_publ_section_title
;
 Triphenyltellurium chloride
;
_journal_coeditor_code           JJ2184
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o421
_journal_page_last               o422
_journal_paper_doi               10.1107/S160053681400498X
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C18 H15 Cl Te'
_chemical_formula_moiety         'C18 H15 Cl Te'
_chemical_formula_sum            'C18 H15 Cl Te'
_chemical_formula_weight         394.35
_chemical_name_systematic
;
Triphenyltellurium chloride
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2453(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.7514(3)
_cell_length_b                   9.60800(15)
_cell_length_c                   18.4367(3)
_cell_measurement_reflns_used    8646
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      75.3283
_cell_measurement_theta_min      2.9886
_cell_volume                     3204.73(9)
_computing_cell_refinement       '<i>CrysAlis PRO</i> (Agilent, 2012)'
_computing_data_collection       '<i>CrysAlis PRO</i> (Agilent, 2012)'
_computing_data_reduction        '<i>CrysAlis PRO</i> (Agilent, 2012)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Agilent Xcalibur (Ruby, Gemini)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12435
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         75.511
_diffrn_reflns_theta_min         4.889
_exptl_absorpt_coefficient_mu    16.068
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.21449
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.977
_refine_diff_density_min         -1.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         6446
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0353P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                5854
_reflns_number_total             6446
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jj2184sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        3204.74(9)
_cod_database_code               2239218
_cod_database_fobs_code          2239218
_shelx_hkl_checksum              10690
_shelx_res_checksum              39766
_shelxl_version_number           .2013