Influence of Pb element on the catalytic properties of {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.
Han, Zhangang; Xin, Xing; Zheng, Ran; Yu, Haitao; Dalton transactions (Cambridge, England : 2003) 47 (2018) 3356–3365; doi:10.1039/c7dt04772j

data_7045414
_publ_section_title
;
 Influence of Pb element on the catalytic properties of
 {P<sub>4</sub>Mo<sub>6</sub>}-polyoxometalate for redox reactions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3356
_journal_page_last               3365
_journal_paper_doi               10.1039/c7dt04772j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C65 H130 Mn4 Mo24 N10 O136 P16 Pb2'
_chemical_formula_weight         6660.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2017-10-12 deposited with the CCDC.
2018-01-26 downloaded from the CCDC.
;
_cell_angle_alpha                93.433(4)
_cell_angle_beta                 98.979(4)
_cell_angle_gamma                99.678(4)
_cell_formula_units_Z            1
_cell_length_a                   13.248(4)
_cell_length_b                   13.889(4)
_cell_length_c                   23.386(6)
_cell_measurement_reflns_used    9733
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.36
_cell_volume                     4173(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.990
_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  0.0106
_diffrn_reflns_av_unetI/netI     0.0129
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            42038
_diffrn_reflns_point_group_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.802
_exptl_absorpt_coefficient_mu    4.310
_exptl_absorpt_correction_T_max  0.571
_exptl_absorpt_correction_T_min  0.465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.653
_exptl_crystal_description       block
_exptl_crystal_F_000             3198
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.317
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1279
_refine_ls_number_reflns         14578
_refine_ls_number_restraints     549
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.024
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0519P)^2^+26.4577P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.0868
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14331
_reflns_number_total             14578
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04772j1.cif
_cod_data_source_block           Mn
_cod_depositor_comments
'Adding full bibliography for 7045414--7045417.cif.'
_cod_original_cell_volume        4173.6(19)
_cod_database_code               7045414
_shelxl_version_number           2014-3
_shelx_res_checksum              58989