All-inorganic open frameworks based on gigantic four-shell Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters.
Liu, Jin-Hua; Lin, Li-Dan; Wang, Guo-Qiang; Li, Ling-Yun; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian; Chemical communications (Cambridge, England) 56 (2020) 10305–10308; doi:10.1039/d0cc04070c

data_7126982
_publ_section_title
;
 All-inorganic open frameworks based on gigantic four-shell
 Ln@W<sub>8</sub>@Ln<sub>8</sub>@(SiW<sub>12</sub>)<sub>6</sub> clusters.
;
_journal_issue                   71
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10305
_journal_page_last               10308
_journal_paper_doi               10.1039/d0cc04070c
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'H129 La9 O240 Si3 W44'
_chemical_formula_weight         13393.88
_space_group_crystal_system      cubic
_space_group_IT_number           226
_space_group_name_Hall           '-F 4a 2 3'
_space_group_name_H-M_alt        'F m -3 c'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-07-09 deposited with the CCDC.	2020-07-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.5612(3)
_cell_length_b                   37.5612(3)
_cell_length_c                   37.5612(3)
_cell_measurement_reflns_used    41565
_cell_measurement_temperature    175(2)
_cell_measurement_theta_max      25.031
_cell_measurement_theta_min      3.068
_cell_volume                     52993.0(7)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      175(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX II'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0131
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            38112
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.031
_diffrn_reflns_theta_max         25.031
_diffrn_reflns_theta_min         2.425
_exptl_absorpt_coefficient_mu    20.543
_exptl_absorpt_correction_T_max  0.2586
_exptl_absorpt_correction_T_min  0.2101
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    3.358
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             46880
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_platon_squeeze_details          ' ?'
_refine_diff_density_max         3.023
_refine_diff_density_min         -2.312
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     112
_refine_ls_number_reflns         2067
_refine_ls_number_restraints     74
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0346
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+4146.2720P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0916
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1941
_reflns_number_total             2067
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04070c3.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7126982.cif.'
_cod_original_cell_volume        52993.0(13)
_cod_original_sg_symbol_Hall     '-F 4c 2 3'
_cod_database_code               7126982
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.2101
_shelx_estimated_absorpt_t_max   0.2586
_shelx_res_checksum              99925