A highly porous rht-type acylamide-functionalized metal-organic framework exhibiting large CO<sub>2</sub> uptake capabilities.
Zheng, Baishu; Wang, Hang; Wang, Zhaoxu; Ozaki, Noriaki; Hang, Cheng; Luo, Xin; Huang, Lu; Zeng, Wenjiang; Yang, Ming; Duan, Jingui; Chemical communications (Cambridge, England) 52 (2016) 12988–12991; doi:10.1039/c6cc06734d

data_7125094
_publ_section_title
;
 A highly porous rht-type acylamide-functionalized metal-organic framework
 exhibiting large CO<sub>2</sub> uptake capabilities.
;
_journal_issue                   88
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12988
_journal_page_last               12991
_journal_paper_doi               10.1039/c6cc06734d
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C30 Cu2 N2 O12'
_chemical_formula_weight         707.419
_chemical_name_common            HNUST5
_space_group_crystal_system      cubic
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_audit_update_record
;
2016-08-13 deposited with the CCDC.
2016-10-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            48
_cell_length_a                   46.542(2)
_cell_length_b                   46.542(2)
_cell_length_c                   46.542(2)
_cell_volume                     100817(8)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.540590
_diffrn_source                   'Sealed X-ray tube'
_diffrn_source_target            Cu
_exptl_crystal_density_diffrn    0.5593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             16704.00
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0110
_pd_meas_2theta_range_max        50.0007
_pd_meas_2theta_range_min        5.0001
_pd_meas_number_of_points        4189
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0107
_pd_proc_2theta_range_max        50.0007
_pd_proc_2theta_range_min        5.0001
_pd_proc_ls_background_function  'composite background function'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.07766
_pd_proc_ls_prof_wR_expected     0.03168
_pd_proc_ls_prof_wR_factor       0.11048
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.4874
_refine_ls_matrix_type           full
_refine_ls_number_constraints    9
_refine_ls_number_parameters     6
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.10183
_refine_ls_R_Fsqd_factor         0.11178
_refine_ls_R_I_factor            0.11219
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            c6cc06734d2.cif
_cod_data_source_block           single_phase
_cod_original_cell_volume        100815(9)
_cod_database_code               7125094