Enhanced selectivity of CO2 from a ternary gas mixture in an interdigitated porous framework
Nakagawa, Keiji; Tanaka, Daisuke; Horike, Satoshi; Shimomura, Satoru; Higuchi, Masakazu; Kitagawa, Susumu; Chemical Communications 46 (2010) 4258–4260; doi:10.1039/c0cc00027b

data_7111632
_publ_section_title
;
 Enhanced selectivity of CO2 from a ternary gas mixture in an
 interdigitated porous framework
;
_journal_issue                   24
_journal_name_full               'Chemical Communications'
_journal_page_first              4258
_journal_page_last               4260
_journal_paper_doi               10.1039/c0cc00027b
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C25 H21 N3 O5 Zn'
_chemical_formula_weight         508.82
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_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                 102.11(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.14(4)
_cell_length_b                   11.35(3)
_cell_length_c                   24.67(9)
_cell_measurement_reflns_used    19572
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.68
_cell_measurement_theta_min      3.15
_cell_volume                     4419(2)
_computing_cell_refinement       crystalclear
_computing_data_collection       crystalclear
_computing_data_reduction        yadokari
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            19572
_diffrn_reflns_theta_full        27.68
_diffrn_reflns_theta_max         27.68
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    1.155
_exptl_absorpt_correction_T_max  0.8018
_exptl_absorpt_correction_T_min  0.8018
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(REQABA; Jacobson.,1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.029
_refine_diff_density_min         -1.032
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.656
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5102
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.656
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0777
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2335
_refine_ls_wR_factor_ref         0.2558
_reflns_number_gt                3851
_reflns_number_total             5102
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc00027bsup1.cif
_cod_data_source_block           cid
_cod_original_cell_volume        4419(23)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7111632