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_7707474
_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            'C30 H71.33 Co5.33 Mo12 N12 O70 P8'
_chemical_formula_weight         3433.65
_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   mixed
_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                 123.811(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   30.375(4)
_cell_length_b                   14.5133(14)
_cell_length_c                   24.714(3)
_cell_measurement_reflns_used    7746
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      53.651
_cell_measurement_theta_min      4.369
_cell_volume                     9052.4(19)
_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 2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0620
_diffrn_reflns_av_unetI/netI     0.0462
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            32307
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         1.614
_exptl_absorpt_coefficient_mu    2.809
_exptl_absorpt_correction_T_max  0.771
_exptl_absorpt_correction_T_min  0.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.519
_exptl_crystal_description       blocky
_exptl_crystal_F_000             6653
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.307
_refine_diff_density_min         -1.808
_refine_diff_density_rms         0.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         8040
_refine_ls_number_restraints     311
_refine_ls_restrained_S_all      1.395
_refine_ls_R_factor_all          0.0714
_refine_ls_R_factor_gt           0.0575
_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^)+(0.1008P)^2^+130.8909P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1630
_refine_ls_wR_factor_ref         0.1742
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6542
_reflns_number_total             8040
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00809a2.cif
_cod_data_source_block           JW-20
_cod_depositor_comments
'Adding full bibliography for 7707474--7707475.cif.'
_cod_original_cell_volume        9052.5(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7707474
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.678
_shelx_estimated_absorpt_t_max   0.766
_shelx_res_checksum              9726
_shelx_hkl_checksum              21868