'Quasi-isostructural polymorphism' in molecular crystals: inputs from interaction hierarchy and energy frameworks.
Dey, Dhananjay; Thomas, Sajesh P.; Spackman, Mark A.; Chopra, Deepak; Chemical communications (Cambridge, England) 52 (2016) 2141–2144; doi:10.1039/c5cc09741j

data_7118221
_publ_section_title
;
 'Quasi-isostructural polymorphism' in molecular crystals: inputs from
 interaction hierarchy and energy frameworks.
;
_journal_issue                   10
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              2141
_journal_page_last               2144
_journal_paper_doi               10.1039/c5cc09741j
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C13 H11 F N2'
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_audit_update_record
;
2014-01-17 deposited with the CCDC.
2015-12-14 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
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'calc w=1/[\s^2^(Fo^2^)+(0.0334P)^2^+0.4980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            c5cc09741j2.cif
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7118221--7118222.cif.

The following automatic conversions were performed:

data name '_iucr_refine_instruction_details' was replaced with
'_iucr_refine_instructions_details' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
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_cod_database_code               7118221