Highly Selective Sorption of Small Unsaturated Hydrocarbons by Nonporous Flexible Framework with Silver Ion
Sayaka Uchida; Ryosuke Kawamoto; Hanae Tagami; Yoshinao Nakagawa; Noritaka Mizuno; Journal of the American Chemical Society 130 (2008) 12370–12376; doi:10.1021/ja801453c

data_4108322
_publ_section_title
;
 Highly Selective Sorption of Small Unsaturated Hydrocarbons by Nonporous
 Flexible Framework with Silver Ion
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12370
_journal_page_last               12376
_journal_paper_doi               10.1021/ja801453c
_journal_volume                  130
_journal_year                    2008
_chemical_formula_moiety         'C40 Ag2 Cr6 O72 Si W12 '
_chemical_formula_sum            'C40 Ag2 Cr6 O72 Si W12'
_chemical_formula_weight         4394.39
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 91.154(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   15.965(4)
_cell_length_b                   19.677(8)
_cell_length_c                   30.539(11)
_cell_measurement_reflns_used    4925
_cell_measurement_temperature    248
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     9592(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.498
_diffrn_measured_fraction_theta_max 0.498
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.096
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            12494
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    15.501
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.087
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    3.043
_exptl_crystal_description       plate
_exptl_crystal_F_000             7824.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         6.92
_refine_diff_density_min         -5.15
_refine_ls_goodness_of_fit_ref   1.232
_refine_ls_number_parameters     330
_refine_ls_number_reflns         5477
_refine_ls_R_factor_gt           0.1862
_refine_ls_shift/su_max          0.0400
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.3812
_reflns_number_gt                5308
_reflns_number_total             5477
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja801453c_si_004.cif
_cod_data_source_block           '__1-2C2H4'
_cod_original_formula_sum        'C40 Ag2 Cr6 O72 Si W12 '
_cod_database_code               4108322