Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+)(x) hydrogen trioxofluorophosphate(-)(x) monohydrate/ 2,4,6-triaminopyrimidinium(2+)(1-x) trioxofluorophosphate(2-)(1-x) monohydrate (0.0 < x < 0.73) with changing temperature
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F17%3A10366512" target="_blank" >RIV/00216208:11310/17:10366512 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1107/S2052520617014007" target="_blank" >http://dx.doi.org/10.1107/S2052520617014007</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S2052520617014007" target="_blank" >10.1107/S2052520617014007</a>
Alternative languages
Result language
angličtina
Original language name
Migrating hydrogen in 2,4,6-triaminopyrimidinium(1+)(x) hydrogen trioxofluorophosphate(-)(x) monohydrate/ 2,4,6-triaminopyrimidinium(2+)(1-x) trioxofluorophosphate(2-)(1-x) monohydrate (0.0 < x < 0.73) with changing temperature
Original language description
The data of the title structure of 2,4,6-triaminopyrimidinium(1+)x hydrogen trioxofluorophosphate(1-)x monohydrate/2,4,6-triaminopyrimidinium(2+)1-x trioxofluorophosphate(2-)1-x monohydrate (0.0 < x < 0.73), with the sum formula C4H11FN5O4P, were collected in 10 K intervals between 290 and 150 K, as well as at 100 K. The most interesting feature is the presence of a moderate though still strong O-H...N/O...H-N hydrogen bond. Its bridging H atom was found to be disordered over two positions in the temperature interval 290-220 K, with the larger occupation towards the O atom. The occupation in the latter position decreased with decreasing temperature, though not monotonously. At 210 K and below, the difference electron-density maps showed just one maximum which was closer to the N atom.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)
Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials [online]
ISSN
2052-5206
e-ISSN
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Volume of the periodical
73
Issue of the periodical within the volume
6
Country of publishing house
GB - UNITED KINGDOM
Number of pages
11
Pages from-to
1114-1124
UT code for WoS article
000417608600011
EID of the result in the Scopus database
2-s2.0-85037714216