1-m-Nitrobenzoyl semicarbazide: reversible colorimetric cascade indicators for fluoride and moisture
Nandi, Sujay Kumar; Haldar, Debasish; New Journal of Chemistry 44 (2020) 17523–17530; doi:10.1039/D0NJ03769A

data_7059989
_publ_section_title
;
 1-m-Nitrobenzoyl semicarbazide: reversible colorimetric cascade
 indicators for fluoride and moisture
;
_journal_issue                   40
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17523
_journal_page_last               17530
_journal_paper_doi               10.1039/D0NJ03769A
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C8 H8 N4 O4'
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Olex2 1.2
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2020-02-26 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.34 (release 22-05-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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'w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+0.8176P] where P=(Fo^2^+2Fc^2^)/3'
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_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/RSC/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 

 Adding full bibliography for 7059989.cif.
;
_cod_original_cell_volume        908.97(13)
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_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All N(H,H) groups
2.a Rotating group:
 N4(H4A,H4B)
2.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), C1(H1), C3(H3A), C5(H5), C4(H4)
;
_olex2_submission_special_instructions 'No special instructions were received'