A 3d-4f heterometallic 3D POMOF based on lacunary Dawson polyoxometalates.
Yu, Tingting; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Shaobin; Liu, Heng; Dalton transactions (Cambridge, England : 2003) 42 (2013) 16328–16333; doi:10.1039/c3dt51983j

data_7023934
_publ_section_title
;
 A 3d-4f heterometallic 3D POMOF based on lacunary Dawson
 polyoxometalates.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16328
_journal_page_last               16333
_journal_paper_doi               10.1039/c3dt51983j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C50 H102 Ce4 Mn4 N10 Na2 O152 P4 W30'
_chemical_formula_sum            'C50 H102 Ce4 Mn4 N10 Na2 O152 P4 W30'
_chemical_formula_weight         9740.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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
_cell_angle_alpha                84.835(5)
_cell_angle_beta                 89.828(5)
_cell_angle_gamma                74.460(5)
_cell_formula_units_Z            1
_cell_length_a                   15.369(5)
_cell_length_b                   15.403(5)
_cell_length_c                   20.104(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4565(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.951
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_sigmaI/netI    0.1249
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36999
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.47
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    20.189
_exptl_crystal_density_diffrn    3.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4196.0
_refine_diff_density_max         8.679
_refine_diff_density_min         -5.080
_refine_diff_density_rms         0.546
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.862
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1112
_refine_ls_number_reflns         21938
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      0.861
_refine_ls_R_factor_all          0.1199
_refine_ls_R_factor_gt           0.0694
_refine_ls_shift/su_max          0.130
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0918P)^2^+205.7320P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1890
_reflns_number_gt                12915
_reflns_number_total             23074
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51983j.txt
_cod_data_source_block           ytt
_cod_original_cell_volume        4566(2)
_cod_database_code               7023934