Solvent-controlled 3D lanthanide‒polyoxometalate frameworks: reduction and stabilization of Ag nanocomposites and catalytic properties
Gao, Guang-Gang; Song, Chao-Yu; Zong, Xi-Ming; Chai, Dong-Feng; Liu, Hong; Zou, Yu-Long; Liu, Jian-Xun; Qiu, Yun-Feng; CrystEngComm 16 (2014) 5150–; doi:10.1039/c4ce00403e

data_7216456
_publ_section_title
;
 Solvent-controlled 3D lanthanide--polyoxometalate frameworks: reduction
 and stabilization of Ag nanocomposites and catalytic properties
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              5150
_journal_paper_doi               10.1039/c4ce00403e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         C30H35K4La3N12O74SiW12
_chemical_formula_sum            'C30 H35 K4 La3 N12 O74 Si W12'
_chemical_formula_weight         4554.91
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           148
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   22.0842(2)
_cell_length_b                   22.0842(2)
_cell_length_c                   28.0921(6)
_cell_measurement_temperature    296(2)
_cell_volume                     11865.3(3)
_computing_cell_refinement       'SMART (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SMART (Bruker, 2007)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            16772
_diffrn_reflns_theta_full        23.45
_diffrn_reflns_theta_max         23.45
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    19.304
_exptl_absorpt_correction_T_max  0.3073
_exptl_absorpt_correction_T_min  0.2484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.824
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             11902
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.928
_refine_diff_density_min         -1.278
_refine_diff_density_rms         0.248
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         3855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0330P)^2^+519.3617P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0716
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                3219
_reflns_number_total             3855
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00403e2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               7216456