Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.
Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang; Dalton transactions (Cambridge, England : 2003) 44 (2015) 11429–11436; doi:10.1039/c5dt00686d

data_7035271
_publ_section_title
;
 Construction of polyoxometalates from dynamic lacunary polyoxotungstate
 building blocks and lanthanide linkers.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11429
_journal_page_last               11436
_journal_paper_doi               10.1039/c5dt00686d
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C12 H50 Li7 N2 Na3 O89 Pr2 Sb2 W18'
_chemical_formula_weight         5598.71
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-04-17 deposited with the CCDC.
2015-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.333(4)
_cell_length_b                   24.500(5)
_cell_length_c                   25.269(5)
_cell_measurement_reflns_used    51866
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.93
_cell_measurement_theta_min      3.14
_cell_volume                     11350(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2398
_diffrn_reflns_av_unetI/netI     0.2690
_diffrn_reflns_laue_measured_fraction_full 0.966
_diffrn_reflns_laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            73425
_diffrn_reflns_point_group_measured_fraction_full 0.968
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.171
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    19.571
_exptl_absorpt_correction_T_max  0.105
_exptl_absorpt_correction_T_min  0.080
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.277
_exptl_crystal_description       block
_exptl_crystal_F_000             9816
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.210
_platon_squeeze_details
;
;
_refine_diff_density_max         1.905
_refine_diff_density_min         -1.522
_refine_diff_density_rms         0.326
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.53(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.903
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     975
_refine_ls_number_reflns         19755
_refine_ls_number_restraints     770
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.1640
_refine_ls_R_factor_gt           0.0823
_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^)+(0.0010P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1538
_reflns_Friedel_coverage         0.851
_reflns_friedel_fraction_full    0.970
_reflns_friedel_fraction_max     0.998
_reflns_number_gt                9038
_reflns_number_total             19755
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00686d2.cif
_cod_data_source_block           Pr-2
_cod_depositor_comments
'Adding full bibliography for 7035268--7035272.cif.'
_cod_original_cell_volume        11349(4)
_cod_database_code               7035271
_audit_block_doi                 10.5517/cc13z4s0
_shelx_estimated_absorpt_t_min   0.080
_shelx_estimated_absorpt_t_max   0.105
_shelxl_version_number           2014-3
_shelx_res_checksum              8084