A sulfur vacancy rich CdS based composite photocatalyst with g-C<sub>3</sub>N<sub>4</sub> as a matrix derived from a Cd-S cluster assembled supramolecular network for H<sub>2</sub> production and VOC removal.
Wang, Yaqin; Xu, Xinxin; Lu, Wei; Huo, Yuqiu; Bian, Lijun; Dalton transactions (Cambridge, England : 2003) 47 (2018) 4219–4227; doi:10.1039/c7dt04912a

data_7045507
_publ_section_title
;
 A sulfur vacancy rich CdS based composite photocatalyst with
 g-C<sub>3</sub>N<sub>4</sub> as a matrix derived from a Cd-S cluster
 assembled supramolecular network for H<sub>2</sub> production and VOC
 removal.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4219
_journal_page_last               4227
_journal_paper_doi               10.1039/c7dt04912a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C48 H64 Cd4 N16 O4 S8'
_chemical_formula_weight         1635.23
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-30 deposited with the CCDC.
2018-02-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_c                   22.7948(13)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      1.79
_cell_volume                     6356.1(6)
_computing_cell_refinement       'SAINT (Bruker)'
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0563
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         24.998
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_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.705
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
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_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.2
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_refine_diff_density_max         0.775
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_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.0545
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0700P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1094
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4438
_reflns_number_total             5588
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04912a2.cif
_cod_data_source_block           168a
_cod_depositor_comments          'Adding full bibliography for 7045507.cif.'
_cod_database_code               7045507
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