Syntheses, Crystal Structures, Ion-Exchange, and Photocatalytic Properties of Two Amine-Directed Ge-Sb-S Compounds.
Zhang, Bo; Feng, Mei-Ling; Cui, Hong-Hua; Du, Cheng-Feng; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying; Inorganic chemistry 54 (2015) 8474–8481; doi:10.1021/acs.inorgchem.5b01181

data_4344079
_publ_section_title
;
 Syntheses, Crystal Structures, Ion-Exchange, and Photocatalytic
 Properties of Two Amine-Directed Ge-Sb-S Compounds.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8474
_journal_page_last               8481
_journal_paper_doi               10.1021/acs.inorgchem.5b01181
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '20(C H6 N),Ge10Sb28S72,7(H2 O)'
_chemical_formula_sum            'C20 H134 Ge10 N20 O7 S72 Sb28'
_chemical_formula_weight         7210.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 100.084(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.2964(8)
_cell_length_b                   29.3261(5)
_cell_length_c                   41.6006(10)
_cell_measurement_reflns_used    11837
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8060
_cell_measurement_theta_min      2.8300
_cell_volume                     35189.0(14)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'DIAMOND. Version 3.2. Crystal Impact'
_computing_publication_material  'Windows Word 2010'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_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  0.0859
_diffrn_reflns_av_sigmaI/netI    0.0974
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            72373
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.28
_diffrn_standards_number         89499
_exptl_absorpt_coefficient_mu    6.784
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.86669
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.722
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             26800
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.20
_refine_diff_density_max         3.547
_refine_diff_density_min         -2.918
_refine_diff_density_rms         0.441
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1425
_refine_ls_number_reflns         31028
_refine_ls_number_restraints     477
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1233
_refine_ls_R_factor_gt           0.0905
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+6782.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1885
_refine_ls_wR_factor_ref         0.1991
_reflns_number_gt                18271
_reflns_number_total             31028
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b01181_si_002.cif
_cod_data_source_block           Compound-1
_cod_depositor_comments
'Adding full bibliography for 4344079--4344080.cif.'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4344079