Dual-nodes bridged cobalt-modified Keggin-type polyoxometalate-based chains for highly efficient CO<sub>2</sub> photoconversion.
Chen, Xin-Lian; Wu, Jie; Wang, Ji-Lei; Liu, Xiao-Mei; Mei, Hua; Xu, Yan; Dalton transactions (Cambridge, England : 2003) 53 (2024) 12943–12950; doi:10.1039/d4dt01757a

data_7716639
_publ_section_title
;
 Dual-nodes bridged cobalt-modified Keggin-type polyoxometalate-based
 chains for highly efficient CO<sub>2</sub> photoconversion.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12943
_journal_page_last               12950
_journal_paper_doi               10.1039/d4dt01757a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C52 H48 Mn2 N12 O42 Si W12'
_chemical_formula_weight         3857.19
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-06-02 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                101.321(8)
_cell_angle_beta                 98.243(8)
_cell_angle_gamma                108.981(7)
_cell_formula_units_Z            1
_cell_length_a                   11.974(8)
_cell_length_b                   12.380(8)
_cell_length_c                   14.074(9)
_cell_measurement_reflns_used    7957
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.1615
_cell_measurement_theta_min      2.521
_cell_volume                     1886(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Apex2 CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0591
_diffrn_reflns_av_unetI/netI     0.0653
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13505
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         1.514
_exptl_absorpt_coefficient_mu    18.656
_exptl_absorpt_correction_T_max  0.536
_exptl_absorpt_correction_T_min  0.490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.397
_exptl_crystal_description       block
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.952
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.394
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         6578
_refine_ls_number_restraints     222
_refine_ls_restrained_S_all      1.178
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0128P)^2^+143.2125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.1559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6144
_reflns_number_total             6578
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01757a2.cif
_cod_data_source_block           Mn
_cod_depositor_comments
'Adding full bibliography for 7716637--7716639.cif.'
_cod_database_code               7716639
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.195
_shelx_estimated_absorpt_t_max   0.233
_shelx_res_checksum              74803
_shelx_hkl_checksum              76667