Acetonyldichloro[(<i>Z</i>)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)
Zukerman-Schpector, J.; Camillo, Robinson L.; Comasseto, João V.; Cunha, Rodrigo L. O. R.; Lemos, Francisco C.D.; Caracelli, I.; Acta Crystallographica Section C 55 (1999) 1930–1932; doi:10.1107/S0108270199009269

data_2009118
_publ_section_title
;
 Acetonyldichloro[(<i>Z</i>)-2-chloro-1-methyl-2-phenylethenyl]tellurium(IV)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1930
_journal_page_last               1932
_journal_paper_doi               10.1107/S0108270199009269
_journal_volume                  55
_journal_year                    1999
_chemical_formula_moiety         'C12 H13 Cl3 O Te'
_chemical_formula_sum            'C12 H13 Cl3 O Te'
_chemical_formula_weight         407.17
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.629(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.269(2)
_cell_length_b                   6.0810(10)
_cell_length_c                   20.176(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.12
_cell_measurement_theta_min      9.56
_cell_volume                     1468.9(4)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1995)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2807
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         3.20
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  30
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.552
_exptl_absorpt_correction_T_max  0.629
_exptl_absorpt_correction_T_min  0.469
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.841
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.797
_refine_diff_density_min         -0.844
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2726
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.030
_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^)+(0.0477P)^2^+2.6277P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.086
_reflns_number_gt                2387
_reflns_number_total             2726
_reflns_threshold_expression     F^2^>2\sF^2^
_cod_data_source_file            fg1570.cif
_cod_data_source_block           fg1570
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009118