Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide Clusters into Three-Dimensional Photoluminescent Superlattices
Nanfeng Zheng; Xianhui Bu; Pingyun Feng; Journal of the American Chemical Society 125 (2003) 1138–1139; doi:10.1021/ja021274k

data_4113421
_publ_section_title
;
 Nonaqueous Synthesis and Selective Crystallization of Gallium Sulfide
 Clusters into Three-Dimensional Photoluminescent Superlattices
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1138
_journal_page_last               1139
_journal_paper_doi               10.1021/ja021274k
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            'Ga4.5 In5.5 S18'
_chemical_formula_weight         1522.33
_chemical_name_common            UCR-7GaInS-TETA
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.7145(18)
_cell_length_b                   19.7145(18)
_cell_length_c                   30.995(4)
_cell_measurement_temperature    293(2)
_cell_volume                     12047(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0944
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            23862
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    4.665
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_F_000             5576
_refine_diff_density_max         1.875
_refine_diff_density_min         -1.699
_refine_diff_density_rms         0.562
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.255
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     73
_refine_ls_number_reflns         1979
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.254
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0587
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1485P)^2^+55.0422P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2376
_refine_ls_wR_factor_ref         0.2591
_reflns_number_gt                1388
_reflns_number_total             1979
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja021274k_6.cif
_cod_data_source_block           UCR7GaInSTETA
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Ga4.50 In5.50 S18'
_cod_database_code               4113421