Selective Ethane/Ethylene Separation in a Robust Microporous Hydrogen-Bonded Organic Framework.
Zhang, Xu; Li, Libo; Wang, Jia-Xin; Wen, Hui-Min; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Chen, Zhong-Ning; Li, Bin; Qian, Guodong; Chen, Banglin; Journal of the American Chemical Society  (2019) –; doi:10.1021/jacs.9b12428

data_4133825
_publ_section_title
;
 Selective Ethane/Ethylene Separation in a Robust Microporous
 Hydrogen-Bonded Organic Framework.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.9b12428
_journal_year                    2019
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_cell_angle_gamma                90
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_cell_length_c                   13.7223(17)
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_cell_measurement_theta_min      2.50
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
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_exptl_absorpt_coefficient_mu    0.070
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_exptl_absorpt_correction_T_min  0.978
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Red
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_exptl_crystal_description       Bloc
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1210P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2123
_refine_ls_wR_factor_ref         0.2684
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5931
_reflns_number_total             13823
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b12428_si_002.cif
_cod_data_source_block           z
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4133825
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              98694
_shelx_hkl_checksum              57869
_shelx_fab_checksum              95754