Reunderstanding the photoinduced charge transfer process of ammonium polyoxomolybdate.
Li, Li; Hua, Yang; Li, Xiao-Nan; Guo, Yu; Zhang, Hong; Dalton transactions (Cambridge, England : 2003) 48 (2019) 10683–10688; doi:10.1039/c9dt02106j

data_7700254
_publ_section_title
;
 Reunderstanding the photoinduced charge transfer process of ammonium
 polyoxomolybdate.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10683
_journal_page_last               10688
_journal_paper_doi               10.1039/c9dt02106j
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C66 H58 Mo8 N6 O26'
_chemical_formula_weight         2118.70
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-03-07 deposited with the CCDC.    2019-06-11 downloaded from the CCDC.
;
_cell_angle_alpha                114.442(2)
_cell_angle_beta                 112.183(2)
_cell_angle_gamma                90.361(2)
_cell_formula_units_Z            1
_cell_length_a                   11.4623(5)
_cell_length_b                   13.4719(6)
_cell_length_c                   13.5825(6)
_cell_measurement_temperature    293(2)
_cell_volume                     1734.93(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            20691
_diffrn_reflns_theta_full        25.76
_diffrn_reflns_theta_max         25.76
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    1.485
_exptl_crystal_density_diffrn    2.028
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1040
_refine_diff_density_max         1.287
_refine_diff_density_min         -1.408
_refine_diff_density_rms         0.276
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         6585
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0432
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0719P)^2^+4.7271P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1450
_reflns_number_gt                4414
_reflns_number_total             6585
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c9dt02106j2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7700253--7700255.cif.'
_cod_original_cell_volume        1734.92(13)
_cod_database_code               7700254