Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols
Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng; New Journal of Chemistry 45 (2021) 1551–1555; doi:10.1039/D0NJ05752E

data_7060145
_publ_section_title
;
 Ruthenium(ii)-supported phosphovanadomolybdates
 [Ru(dmso)3PMo6V3O32]6&#x2212; and [Ru(PMo6V3O32)2]14&#x2212;, and their
 use as heterogeneous catalysts for oxidation of alcohols
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1551
_journal_page_last               1555
_journal_paper_doi               10.1039/D0NJ05752E
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'Cs8 H0 Mo12 Na6 O67 P2 Ru V6'
_chemical_formula_weight         3893.15
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-10-29 deposited with the CCDC.	2020-12-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.833(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_b                   19.450(3)
_cell_length_c                   17.180(2)
_cell_measurement_reflns_used    8576
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.24
_cell_volume                     4338.2(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
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_diffrn_reflns_theta_max         24.999
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_exptl_absorpt_coefficient_mu    5.919
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.980
_exptl_crystal_description       block
_exptl_crystal_F_000             3516
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   0.345
_exptl_transmission_factor_min   0.251
_refine_diff_density_max         5.614
_refine_diff_density_min         -4.574
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_refine_ls_extinction_coef       0.00035(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.214
_refine_ls_hydrogen_treatment    undef
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_refine_ls_number_reflns         7544
_refine_ls_number_restraints     1149
_refine_ls_restrained_S_all      1.239
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0823
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+240.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1893
_refine_ls_wR_factor_ref         0.1946
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6123
_reflns_number_total             7544
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nj05752e2.cif
_cod_data_source_block           P21N
_cod_depositor_comments
'Adding full bibliography for 7060145--7060146.cif.'
_cod_original_cell_volume        4338.0(10)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7060145
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.251
_shelx_estimated_absorpt_t_max   0.345
_shelx_res_checksum              83827
_shelx_fab_checksum              70738