A sandwiched Co<sub>4</sub>-added polyoxometalate for efficient visible light-driven hydrogen evolution.
Wang, Zhen-Wen; Chen, Chong-An; Yang, Guo-Yu; Dalton transactions (Cambridge, England : 2003) 53 (2024) 9812–9818; doi:10.1039/d4dt00885e

data_7716057
_publ_section_title
;
 A sandwiched Co<sub>4</sub>-added polyoxometalate for efficient visible
 light-driven hydrogen evolution.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9812
_journal_page_last               9818
_journal_paper_doi               10.1039/d4dt00885e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'Co8 Cs4 Ge2 O93 W18'
_chemical_formula_weight         5945.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2023-02-13 deposited with the CCDC.	2024-05-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.180(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.8617(12)
_cell_length_b                   16.4055(15)
_cell_length_c                   23.320(2)
_cell_measurement_reflns_used    3072
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9920
_cell_measurement_theta_min      3.7930
_cell_volume                     4435.9(7)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.813
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0776
_diffrn_reflns_av_unetI/netI     0.1333
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.813
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22016
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.813
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.671
_diffrn_reflns_theta_min         3.502
_exptl_absorpt_coefficient_mu    27.078
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    4.451
_exptl_crystal_description       block
_exptl_crystal_F_000             5152
_refine_diff_density_max         3.376
_refine_diff_density_min         -3.748
_refine_diff_density_rms         0.649
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         10212
_refine_ls_number_restraints     5856
_refine_ls_restrained_S_all      0.821
_refine_ls_R_factor_all          0.1015
_refine_ls_R_factor_gt           0.0600
_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^)+(0.0350P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1150
_refine_ls_wR_factor_ref         0.1378
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6769
_reflns_number_total             10212
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00885e2.cif
_cod_data_source_block           co4_1d
_cod_depositor_comments          'Adding full bibliography for 7716057.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7716057
_shelxl_version_number           2013-2
_shelx_res_checksum              37329
_shelx_fab_checksum              49099