Controlling Pore Shape and Size of Interpenetrated Anion-Pillared Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub> Combined with Ultrahigh Uptake Capacity.
Jiang, Mengdie; Li, Bin; Cui, Xili; Yang, Qiwei; Bao, Zongbi; Yang, Yiwen; Wu, Hui; Zhou, Wei; Chen, Banglin; Xing, Huabin; ACS applied materials & interfaces 10 (2018) 16628–16635; doi:10.1021/acsami.8b03358

data_4515350
_publ_section_title
;
 Controlling Pore Shape and Size of Interpenetrated Anion-Pillared
 Ultramicroporous Materials Enables Molecular Sieving of CO<sub>2</sub>
 Combined with Ultrahigh Uptake Capacity.
;
_journal_issue                   19
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              16628
_journal_page_last               16635
_journal_paper_doi               10.1021/acsami.8b03358
_journal_volume                  10
_journal_year                    2018
_chemical_formula_sum            'C22.62 H16 Cu F6 N8 O5.25 Si'
_chemical_formula_weight         689.51
_space_group_IT_number           126
_space_group_name_Hall           '-P 4a 2bc'
_space_group_name_H-M_alt        'P 4/n n c :2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_audit_creation_date             2017-03-09T14:30
_audit_creation_method           'from EXP file using GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   13.0750(9)
_cell_length_b                   13.075
_cell_length_c                   8.3362(8)
_cell_measurement_temperature    200
_cell_volume                     1425.12(17)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      200
_diffrn_measurement_device_type  'BT-1 neutron powder diffractometer'
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.0775
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        166.25
_pd_meas_2theta_range_min        3.0
_pd_meas_number_of_points        3266
_pd_phase_name                   SIFSIX-14-Cu-i_CO2
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        166.2543
_pd_proc_2theta_range_min        3.0043
_pd_proc_info_datetime           2017-03-09T14:30:58
_pd_proc_ls_peak_cutoff          0.00500
_pd_proc_ls_prof_R_factor        0.0171
_pd_proc_ls_prof_wR_expected     0.0163
_pd_proc_ls_prof_wR_factor       0.0217
_pd_proc_number_of_points        3266
_refine_ls_goodness_of_fit_all   1.34
_refine_ls_matrix_type           full
_refine_ls_number_parameters     29
_refine_ls_number_restraints     2
_refine_ls_R_Fsqd_factor         0.09530
_refine_ls_shift/su_max          0.04
_refine_ls_shift/su_mean         0.02
_reflns_d_resolution_high        1.066
_reflns_d_resolution_low         9.245
_reflns_limit_h_max              12
_reflns_limit_h_min              0
_reflns_limit_k_max              8
_reflns_limit_k_min              0
_reflns_limit_l_max              7
_reflns_limit_l_min              0
_reflns_number_total             316
_cod_data_source_file            am8b03358_si_002.cif
_cod_data_source_block           SIFSIX-14-Cu-i_CO2_200K_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_geom_angle_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (54 times).

data item '_geom_bond_publ_flag' value 'N' was changed to 'n' in
accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26 (38 times).

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        1425.11(32)
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum        'C22.62 H16 Cu F6.00 N8.00 O5.25 Si'
_cod_database_code               4515350
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000