Two three-dimensional polyanionic clusters [M(P<sub>4</sub>Mo<sub>6</sub>)<sub>2</sub>] (M = Co, Zn) exhibiting excellent photocatalytic CO<sub>2</sub> reduction performance.
Li, Jia-Nian; Du, Ze-Yu; Li, Ning-Fang; Han, Ye-Min; Zang, Ting-Ting; Yang, Mu-Xiu; Liu, Xiao-Mei; Wang, Ji-Lei; Mei, Hua; Xu, Yan; Dalton transactions (Cambridge, England : 2003) 50 (2021) 9137–9143; doi:10.1039/d1dt00809a

data_7707475
_publ_section_title
;
 Two three-dimensional polyanionic clusters
 [M(P<sub>4</sub>Mo<sub>6</sub>)<sub>2</sub>] (M = Co, Zn) exhibiting
 excellent photocatalytic CO<sub>2</sub> reduction performance.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9137
_journal_page_last               9143
_journal_paper_doi               10.1039/d1dt00809a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C40 H76.5 K2 Mo12 N16 O66 P8 Zn4.75'
_chemical_formula_weight         3625.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-13 deposited with the CCDC.	2021-05-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 124.63(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.91(4)
_cell_length_b                   14.749(16)
_cell_length_c                   25.10(3)
_cell_measurement_reflns_used    8653
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      54.029
_cell_measurement_theta_min      4.881
_cell_volume                     9416(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 0.975
_diffrn_measured_fraction_theta_max 0.972
_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  0.0803
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22961
_diffrn_reflns_point_group_measured_fraction_full 0.975
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_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.596
_exptl_absorpt_coefficient_mu    3.066
_exptl_absorpt_correction_T_max  0.705
_exptl_absorpt_correction_T_min  0.634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.557
_exptl_crystal_description       diamond-shaped
_exptl_crystal_F_000             7044
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.267
_refine_diff_density_min         -1.412
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8532
_refine_ls_number_restraints     139
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0548
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0726P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1320
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7196
_reflns_number_total             8532
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00809a2.cif
_cod_data_source_block           jw-27
_cod_depositor_comments
'Adding full bibliography for 7707474--7707475.cif.'
_cod_original_cell_volume        9417(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C40 H76.50 K2 Mo12 N16 O66 P8 Zn4.75'
_cod_database_code               7707475
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.640
_shelx_estimated_absorpt_t_max   0.710
_shelx_res_checksum              40919
_shelx_hkl_checksum              95682