Dissecting Porosity in Molecular Crystals: Influence of Geometry, Hydrogen Bonding, and [π···π] Stacking on the Solid-State Packing of Fluorinated Aromatics.
Hashim, Mohamed I.; Le, Ha T. M.; Chen, Teng-Hao; Chen, Yu-Sheng; Daugulis, Olafs; Hsu, Chia-Wei; Jacobson, Allan J.; Kaveevivitchai, Watchareeya; Liang, Xiao; Makarenko, Tatyana; Miljanić, Ognjen Š; Popovs, Ilja; Tran, Hung Vu; Wang, Xiqu; Wu, Chia-Hua; Wu, Judy I.; Journal of the American Chemical Society 140 (2018) 6014–6026; doi:10.1021/jacs.8b02869

data_4132300
_publ_section_title
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 Dissecting Porosity in Molecular Crystals: Influence of Geometry,
 Hydrogen Bonding, and [\p&#x00B7;&#x00B7;&#x00B7;\p] Stacking on the
 Solid-State Packing of Fluorinated Aromatics.
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_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
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_journal_paper_doi               10.1021/jacs.8b02869
_journal_volume                  140
_journal_year                    2018
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_exptl_absorpt_process_details   'SAINT v7.60A'
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'w=1/[\s^2^(Fo^2^)+(0.0174P)^2^+21.8233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1888
_reflns_number_total             1918
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja8b02869_si_006.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Empirical' was
changed to 'empirical' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/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 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4132300
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