An Anion Metal-Organic Framework with Lewis Basic Sites-Rich toward Charge-Exclusive Cationic Dyes Separation and Size-Selective Catalytic Reaction.
Wang, Xu-Sheng; Liang, Jun; Li, Lan; Lin, Zu-Jin; Bag, Partha Pratim; Gao, Shui-Ying; Huang, Yuan-Biao; Cao, Rong; Inorganic chemistry 55 (2016) 2641–2649; doi:10.1021/acs.inorgchem.6b00019

data_4347328
_publ_section_title
;
 An Anion Metal-Organic Framework with Lewis Basic Sites-Rich toward
 Charge-Exclusive Cationic Dyes Separation and Size-Selective Catalytic
 Reaction.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2641
_journal_page_last               2649
_journal_paper_doi               10.1021/acs.inorgchem.6b00019
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C108 H34 Cd7 N24 O52'
_chemical_formula_weight         3286.39
_chemical_name_common            FJI-C2
_space_group_IT_number           114
_space_group_name_Hall           'P -4 2n'
_space_group_name_H-M_alt        'P -4 21 c'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P -4 21 c'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.9676(3)
_cell_length_b                   32.9676(3)
_cell_length_c                   26.6956(4)
_cell_measurement_reflns_used    15778
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.3040
_cell_measurement_theta_min      3.5680
_cell_volume                     29014.5(6)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0593
_diffrn_reflns_av_sigmaI/netI    0.0622
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            61595
_diffrn_reflns_theta_full        73.29
_diffrn_reflns_theta_max         73.29
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    4.414
_exptl_absorpt_correction_T_max  0.4172
_exptl_absorpt_correction_T_min  0.3932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rodlike
_exptl_crystal_F_000             6408
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.24
_platon_squeeze_details
;
;
_refine_diff_density_max         0.997
_refine_diff_density_min         -0.614
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.023(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.633
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     861
_refine_ls_number_reflns         27522
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.633
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc 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_gt          0.1509
_refine_ls_wR_factor_ref         0.1666
_reflns_number_gt                22049
_reflns_number_total             27522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00019_si_002.cif
_cod_data_source_block           a
_cod_original_cell_volume        29014.4(6)
_cod_database_code               4347328