Tetratellurium bis[heptachlorodigallate(III)], Te~4~[Ga~2~Cl~7~]~2~
Lindsjö, Martin; Kloo, Lars; Acta Crystallographica Section E 61 (2005) i18–i19; doi:10.1107/S1600536805001960

data_2205176
_publ_section_title
;
 Tetratellurium bis[heptachlorodigallate(III)], Te~4~[Ga~2~Cl~7~]~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i18
_journal_page_last               i19
_journal_paper_doi               10.1107/S1600536805001960
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'Te4 [Ga2 Cl7]2'
_chemical_formula_moiety         'Te4, 2Ga2 Cl7'
_chemical_formula_structural     'Te4 (Ga2 Cl7)2'
_chemical_formula_sum            'Cl14 Ga4 Te4'
_chemical_formula_weight         1285.62
_chemical_name_systematic
;
Tetratellurium bis[heptachlorodigallate(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.152(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1244(6)
_cell_length_b                   11.0468(7)
_cell_length_c                   13.0895(7)
_cell_measurement_reflns_used    116
_cell_measurement_temperature    296
_cell_measurement_theta_max      20.66
_cell_measurement_theta_min      4.31
_cell_volume                     1319.36(14)
_computing_cell_refinement       'DIRAX/LSQ (Duisenberg, 1992)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction        'EvalCCD (Duisenberg <i>et al.</i>, 2003)'
_computing_molecular_graphics    'program (reference?)'
_computing_publication_material  'maXus (Mackay <i>et al.</i>, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_reflns_av_R_equivalents  0.0629
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16007
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         4.58
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.782
_exptl_absorpt_correction_T_max  0.159
_exptl_absorpt_correction_T_min  0.111
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
'(HABITUS; Herrendorf & B\"arnighausen, 1997)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.941
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         3013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0088P)^2^+3.3218P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0541
_refine_ls_wR_factor_ref         0.0599
_reflns_number_gt                2350
_reflns_number_total             3013
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6049.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Cl14 Ga4 Te4 '
_cod_database_code               2205176
_cod_database_fobs_code          2205176