Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6- Anions
Shin-ichiro Noro; Yuh Hijikata; Munehiro Inukai; Tomohiro Fukushima; Satoshi Horike; Masakazu Higuchi; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura; Inorganic Chemistry 52 (2013) 280–285; doi:10.1021/ic301823j

data_4331675
_publ_section_title
;
 Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration
 in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic
 Fluorinated PF6- Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              280
_journal_page_last               285
_journal_paper_doi               10.1021/ic301823j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         'C26 H40 Cu F12 N4 O6 P2 '
_chemical_formula_sum            'C26 H40 Cu F12 N4 O6 P2'
_chemical_formula_weight         858.10
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.1603(3)
_cell_length_b                   14.9216(4)
_cell_length_c                   30.3050(6)
_cell_measurement_reflns_used    76493
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     7307.7(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR2004
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            110594
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.790
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_description       prism
_exptl_crystal_F_000             3512.00
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         32.30
_refine_diff_density_min         -8.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     431
_refine_ls_number_reflns         52516
_refine_ls_R_factor_gt           0.0695
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    5025.4800    7045.5500    2222.1500
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1232
_reflns_number_gt                52516
_reflns_number_total             8348
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic301823j_si_001.cif
_cod_data_source_block           '_090126test'
_cod_original_formula_sum        'C26 H40 Cu F12 N4 O6 P2 '
_cod_database_code               4331675