CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman Spectroscopic Characterization of a New Zincblende Derivative
A. Pfitzner; Inorganic Chemistry 37 (1998) 5164–5167; doi:10.1021/ic9804521

data_4323083
_publ_contact_author
;
         Arno Pfitzner
       Anorganische Chemie
         Universitaet-GH Siegen 
         57068 Siegen
         Bundesrepublik Deutschland
       arno@pferdle.chemie.uni-siegen.de
;
_publ_contact_author_email       pfitzner@chemie.uni-siegen.de
_publ_contact_author_fax         '049 271 740-2555'
_publ_contact_author_phone       '049 271 740-2726'
_publ_section_title
;
 CuClCu~2~TeS~3~: Synthesis, Structure Determination, and Raman
 Spectroscopic Characterization of a New Zincblende Derivative
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5164
_journal_page_last               5167
_journal_paper_doi               10.1021/ic9804521
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'Cl Cu3 S3 Te'
_chemical_formula_weight         449.9
_space_group_IT_number           160
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.361(1)
_cell_length_b                   7.361(1)
_cell_length_c                   10.401(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_volume                     488.07(10)
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'NONIUS CAD4'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.050
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2932
_diffrn_reflns_theta_max         70
_diffrn_standards_decay_%        <1%
_diffrn_standards_interval_count 'every 100 reflections'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    15.351
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.560
_exptl_absorpt_correction_type   \y-scans
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    4.59
_exptl_crystal_description       irregular
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.47
_refine_diff_density_min         -0.68
_refine_ls_extinction_coef       0.41(2)
_refine_ls_extinction_method     'B-C type 1 Lorentzian isotropic'
_refine_ls_goodness_of_fit_all   1.14
_refine_ls_goodness_of_fit_obs   1.14
_refine_ls_number_parameters     19
_refine_ls_number_reflns         561
_refine_ls_R_factor_all          0.0164
_refine_ls_R_factor_obs          0.0164
_refine_ls_shift/esd_max         0.0004
_refine_ls_shift/esd_mean        0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0435
_refine_ls_wR_factor_obs         0.0435
_reflns_number_observed          2932
_reflns_number_total             2932
_reflns_observed_criterion       I>0\s(I)
_cod_data_source_file            ic9804521.cif
_cod_data_source_block           CuClCu2TeS3
_cod_original_cell_volume        488.1(1)
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cu3 Cl1 Te1 S3'
_cod_database_code               4323083