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_7716638
_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 N12 Ni2 O42 Si W12'
_chemical_formula_weight         3864.73
_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                101.336(2)
_cell_angle_beta                 98.179(2)
_cell_angle_gamma                108.916(2)
_cell_formula_units_Z            1
_cell_length_a                   11.9589(16)
_cell_length_b                   12.1998(16)
_cell_length_c                   14.0482(19)
_cell_measurement_reflns_used    5795
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.866
_cell_measurement_theta_min      2.531
_cell_volume                     1853.6(4)
_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 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0670
_diffrn_reflns_av_unetI/netI     0.0710
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13205
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.006
_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_min         1.516
_exptl_absorpt_coefficient_mu    19.145
_exptl_absorpt_correction_T_max  0.227
_exptl_absorpt_correction_T_min  0.190
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    3.462
_exptl_crystal_description       block
_exptl_crystal_F_000             1738
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.222
_refine_diff_density_min         -3.283
_refine_diff_density_rms         0.481
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         6455
_refine_ls_number_restraints     233
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0687
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0820P)^2^+134.2988P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1956
_refine_ls_wR_factor_ref         0.1998
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5767
_reflns_number_total             6455
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01757a2.cif
_cod_data_source_block           Ni
_cod_depositor_comments
'Adding full bibliography for 7716637--7716639.cif.'
_cod_database_code               7716638
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.190
_shelx_estimated_absorpt_t_max   0.227
_shelx_res_checksum              10668
_shelx_hkl_checksum              7008