Te~6~O~11~Cl~2~ ‒ a revision of crystal symmetry
Giester, G.; Acta Crystallographica Section C 50 (1994) 3–4; doi:10.1107/S0108270193006080

data_2009420
_publ_section_title
;
 Te~6~O~11~Cl~2~ -- a revision of crystal symmetry
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              3
_journal_page_last               4
_journal_paper_doi               10.1107/S0108270193006080
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Te6 O11 Cl2'
_chemical_formula_sum            'Cl2 O11 Te6'
_chemical_formula_weight         1012.5
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.843(2)
_cell_length_b                   11.748(3)
_cell_length_c                   15.228(3)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    295
_cell_measurement_theta_max      24
_cell_measurement_theta_min      21
_cell_volume                     1224.2(5)
_diffrn_measurement_device       'Stoe AED2'
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.076
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            7163
_diffrn_reflns_theta_max         35
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.628
_exptl_absorpt_correction_T_max  0.39
_exptl_absorpt_correction_T_min  0.29
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    5.494
_exptl_crystal_description       parallelepiped
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.9
_refine_diff_density_min         -3.9
_refine_ls_extinction_coef       'g = 2.3(1) x 10^-6^'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_obs   2.89
_refine_ls_number_parameters     54
_refine_ls_number_reflns         1267
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s(F~o~)]^2^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.036
_reflns_number_observed          1267
_reflns_number_total             1439
_reflns_observed_criterion       F~o~>3\s(F~o~)
_cod_data_source_file            sh1049.cif
_cod_data_source_block           sh1049_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s(F~o~)]^2^' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/[\s(F~o~)]^2^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1224.2
_cod_original_sg_symbol_H-M      'C cmm'
_cod_database_code               2009420