Competitive Halogen Bond in the Molecular Ferroelectric with Large Piezoelectric Response.
Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; You, Yu-Meng; Xiong, Ren-Gen; Journal of the American Chemical Society 140 (2018) 3975–3980; doi:10.1021/jacs.7b12524

data_4131892
_publ_section_title
;
 Competitive Halogen Bond in the Molecular Ferroelectric with Large
 Piezoelectric Response.
;
_journal_issue                   11
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3975
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_journal_paper_doi               10.1021/jacs.7b12524
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_exptl_crystal_colour            colorless
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_exptl_crystal_size_max          0.15
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_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1285P)^2^+0.2918P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1936
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_reflns_number_total             274
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b12524_si_004.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 'Multi-scan' was
changed to 'multi-scan' 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 
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_cod_original_cell_volume        558.69(6)
_cod_database_code               4131892
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