Syntheses, structures, and photocatalytic properties of open-framework Ag-Sn-S compounds.
Li, Yanhua; Song, Xuedan; Liu, Yan; Guo, Yongkang; Sun, Yu; Ji, Min; You, Zhonglu; An, Yonglin; Dalton transactions (Cambridge, England : 2003) 49 (2020) 11708–11714; doi:10.1039/d0dt02513e

data_7705083
_publ_section_title
;
 Syntheses, structures, and photocatalytic properties of open-framework
 Ag-Sn-S compounds.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11708
_journal_page_last               11714
_journal_paper_doi               10.1039/d0dt02513e
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'K2 S5 Sn2'
_chemical_formula_weight         475.88
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-05-20 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.248(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   7.819(4)
_cell_length_c                   11.543(6)
_cell_measurement_reflns_used    2491
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.24
_cell_volume                     951.4(8)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0593
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            2215
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         3.244
_exptl_absorpt_coefficient_mu    7.138
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.1429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.322
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.038
_refine_diff_density_min         -3.275
_refine_diff_density_rms         0.432
_refine_ls_extinction_coef       0.0172(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.124
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     43
_refine_ls_number_reflns         825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0545
_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^)+(0.1111P)^2^+1.2604P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1503
_reflns_Friedel_coverage         0.000
_reflns_number_gt                801
_reflns_number_total             825
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02513e2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7705079--7705083.cif.'
_cod_original_cell_volume        951.5(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7705083
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              89742