A reduced polyoxometalate-encapsulated organo cobalt modified phosphate framework for improving photocatalytic reduction of CO<sub>2</sub>.
Zhu, Yinhua; Yan, Pinfang; Xu, Lingtong; Du, Zeyu; Mei, Hua; Xu, Yan; Dalton transactions (Cambridge, England : 2003) 53 (2024) 7257–7262; doi:10.1039/d4dt00812j

data_7715738
_publ_section_title
;
 A reduced polyoxometalate-encapsulated organo cobalt modified phosphate
 framework for improving photocatalytic reduction of CO<sub>2</sub>.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7257
_journal_page_last               7262
_journal_paper_doi               10.1039/d4dt00812j
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C42 H48 Co4 N24 O44 P2 W12'
_chemical_formula_weight         4096.90
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-03-12 deposited with the CCDC.	2024-04-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   17.545(2)
_cell_length_b                   17.545(2)
_cell_length_c                   23.684(4)
_cell_measurement_reflns_used    5329
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.0795
_cell_measurement_theta_min      2.1585
_cell_volume                     6313.8(15)
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.944
_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  0.1418
_diffrn_reflns_av_unetI/netI     0.0719
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.944
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
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_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            16640
_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.330
_diffrn_reflns_theta_min         1.592
_exptl_absorpt_coefficient_mu    17.223
_exptl_absorpt_correction_T_max  0.278
_exptl_absorpt_correction_T_min  0.182
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    3.233
_exptl_crystal_description       block
_exptl_crystal_F_000             5538
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.848
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_refine_diff_density_rms         0.280
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3006
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_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1530
_refine_ls_wR_factor_ref         0.1692
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2288
_reflns_number_total             3006
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt00812j2.cif
_cod_data_source_block           ltx-1
_cod_depositor_comments          'Adding full bibliography for 7715738.cif.'
_cod_original_cell_volume        6313.6(17)
_cod_database_code               7715738
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.182
_shelx_estimated_absorpt_t_max   0.278
_shelx_res_checksum              82588