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_7035269
_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 H72 La2 Li6 N2 Na4 O100 Sb2 W18'
_chemical_formula_weight         5808.93
_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
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_cell_length_c                   25.418(2)
_cell_measurement_reflns_used    59825
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.0275
_cell_measurement_theta_min      2.2987
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_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1146
_diffrn_reflns_av_unetI/netI     0.1545
_diffrn_reflns_laue_measured_fraction_full 0.977
_diffrn_reflns_laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
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_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            59448
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.052
_diffrn_reflns_theta_min         1.587
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    18.916
_exptl_absorpt_correction_T_max  0.103
_exptl_absorpt_correction_T_min  0.084
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.301
_exptl_crystal_description       block
_exptl_crystal_F_000             10272
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_platon_squeeze_details
;
;
_refine_diff_density_max         1.466
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.454(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     258
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0557
_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^)+(0.0101P)^2^+9.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.849
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_reflns_friedel_fraction_max     0.998
_reflns_number_gt                12259
_reflns_number_total             20667
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00686d2.cif
_cod_data_source_block           La-1
_cod_depositor_comments
'Adding full bibliography for 7035268--7035272.cif.'
_cod_original_cell_volume        11689.5(19)
_cod_database_code               7035269
_audit_block_doi                 10.5517/cc13z4qy
_shelx_estimated_absorpt_t_min   0.084
_shelx_estimated_absorpt_t_max   0.103
_shelxl_version_number           2014-3
_shelx_res_checksum              41635