[Bi3GaS5]2[Ga3Cl10]2[GaCl4]2·S8 containing heterocubane-type [Bi3GaS5]2+, star-shaped [Ga3Cl10]-, monomeric [GaCl4]- and crown-like S8.
Freudenmann, Dominic; Feldmann, Claus; Dalton transactions (Cambridge, England : 2003) 40 (2011) 452–456; doi:10.1039/c0dt00985g

data_7014588
_publ_section_title
;
 [Bi3GaS5]2[Ga3Cl10]2[GaCl4]2&#x00B7;S8 containing heterocubane-type
 [Bi3GaS5]2+, star-shaped [Ga3Cl10]-, monomeric [GaCl4]- and crown-like
 S8.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              452
_journal_page_last               456
_journal_paper_doi               10.1039/c0dt00985g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'Bi6 Cl28 Ga10 S18'
_chemical_formula_weight         3520.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                89.54(3)
_cell_angle_beta                 76.65(3)
_cell_angle_gamma                60.28(3)
_cell_formula_units_Z            1
_cell_length_a                   10.404(2)
_cell_length_b                   10.427(2)
_cell_length_c                   18.634(4)
_cell_measurement_reflns_used    6723
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      53.4
_cell_measurement_theta_min      2.3
_cell_volume                     1694.5(9)
_computing_cell_refinement       'CELL, SELECT (STOE)'
_computing_data_collection       'EXPOSE (STOE)'
_computing_data_reduction        'INTEGRATE (STOE)'
_computing_molecular_graphics    'DIAMOND, Crystal Impact'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 'ACTA 50'
_diffrn_measured_fraction_theta_max 0.935
_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  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13221
_diffrn_reflns_theta_full        'ACTA 50'
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    21.088
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.450
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1572
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.906
_refine_diff_density_min         -2.647
_refine_diff_density_rms         0.295
_refine_ls_extinction_coef       0.00214(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_matrix_type           full
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.951
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0487
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0663P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1222
_reflns_number_gt                4909
_reflns_number_total             6723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT00985G.TXT
_cod_data_source_block           '[Bi3GaS5]2[Ga3Cl10]2[GaCl4]2_S8'
_cod_original_cell_volume        1694.6(6)
_cod_database_code               7014588