A discrete octahedrally shaped [Ag6]^4+^ cluster encapsulated within silicotungstate ligands
Yuji Kikukawa; Yoshiyuki Kuroda; Kosuke Suzuki; Mitsuhiro Hibino; Kazuya Yamaguchi; Noritaka Mizuno; Chem.Commun. 49 (2013) 376–; doi:10.1039/c2cc37591e

data_7108736
_publ_section_title
;
 A discrete octahedrally shaped [Ag6]^4+^ cluster encapsulated within
 silicotungstate ligands
;
_journal_name_full               Chem.Commun.
_journal_page_first              376
_journal_paper_doi               10.1039/c2cc37591e
_journal_volume                  49
_journal_year                    2013
_chemical_formula_moiety         'C128 Ag6 N8 O72 Si2 W20'
_chemical_formula_sum            'C128 Ag6 N8 O72 Si2 W20'
_chemical_formula_weight         7181.76
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_date             2012-02-08T19:42:25-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 94.39
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   22.3265(2)
_cell_length_b                   18.8039(3)
_cell_length_c                   27.4531(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    153
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     11491.7(3)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      153
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            31494
_diffrn_reflns_theta_full        29.55
_diffrn_reflns_theta_max         29.55
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    10.532
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.076
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             6380
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_platon_squeeze_details
;
;
_refine_diff_density_max         5.832
_refine_diff_density_min         -5.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     729
_refine_ls_number_reflns         31494
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_gt           0.0864
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1480P)^2^+82.5972P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2753
_reflns_number_gt                20010
_reflns_number_total             31494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc37591e.txt
_cod_data_source_block           squweeze
_cod_database_code               7108736