A robust microporous metal‒organic framework constructed from a flexible organic linker for highly selective sorption of methanol over ethanol and water
Huang, Qian; Cai, Jianfeng; Wu, Hui; He, Yabing; Chen, Banglin; Qian, Guodong; Journal of Materials Chemistry 22 (2012) 10352–; doi:10.1039/c2jm15604k

data_7207909
_publ_section_title
;
 A robust microporous metal--organic framework constructed from a flexible
 organic linker for highly selective sorption of methanol over ethanol and
 water
;
_journal_issue                   20
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              10352
_journal_paper_doi               10.1039/c2jm15604k
_journal_volume                  22
_journal_year                    2012
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_audit_creation_date             2012-03-01T11:38
_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            4
_cell_length_a                   14.4835(12)
_cell_length_b                   14.4835
_cell_length_c                   15.4118(16)
_cell_measurement_temperature    298
_cell_volume                     3233.0(4)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  Bruker_D8
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5406
_diffrn_radiation_wavelength_wt  1.00
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_pd_calc_method                  'Rietveld Refinement'
_pd_meas_2theta_range_inc        0.0167
_pd_meas_2theta_range_max        59.9554
_pd_meas_2theta_range_min        3.0084
_pd_meas_number_of_points        3411
_pd_phase_name                   'MOF 1'
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_pd_proc_2theta_range_min        3.0263
_pd_proc_info_datetime           2012-03-01T11:38:55
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_refine_ls_matrix_type           full
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_refine_ls_number_restraints     0
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_reflns_d_resolution_high        1.542
_reflns_d_resolution_low         10.554
_reflns_limit_h_max              9
_reflns_limit_h_min              0
_reflns_limit_k_max              6
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_total             607
_cod_data_source_file            c2jm15604k.txt
_cod_data_source_block           MOF1_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (125
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (136 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3232.9(4)
_cod_original_formula_sum        'C30.00 H38.00 N4 O6 Zn'
_cod_database_code               7207909
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000