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Neutron diffraction studies of potassium hydrogen diformate, KH(HCOO) 2, at 120 and 295K
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry.
1983 (English)In: Acta Crystallographica Section C: Crystal Structure Communications, ISSN 0108-2701, E-ISSN 1600-5759, Vol. C39, 1507-1510 p.Article in journal (Refereed) Published
Abstract [en]

Mr=130.144, orthorhombic, Pbca, Z=8; at 120K a=17.705(8), b=7.349(4), c=7.302(3) Aring, V=950.1(8) Aring 3, Dx=1.820(1) g cm -3; at 295K, a=17.7079(9), b=7.5096(4), c=7.3774(4) Aring, V=981.05(9) Aring 3, Dx=1.7623(2) g cm -3. The crystal structure has been investigated by neutron diffraction at 120K (lambda=0.7228 Aring) and 295K (lambda=1.210 Aring); final R( F2) values are 0.041 (1418 reflections) and 0.065 (1365 reflections), respectively. The short intermolecular O...O hydrogen bond [2.437(1) Aring at 120K] is found to be asymmetrical [O-H 1.167(1), H...O 1.270(1) Aring] even though the bonding situations around the two formate groups are quite similar.

Place, publisher, year, edition, pages
1983. Vol. C39, 1507-1510 p.
Keyword [en]
Experimental/ crystal atomic structure of organic compounds, hydrogen bonds, organic compounds, potassium compounds/ H bonds, potassium hydrogen diformate, crystal structure, neutron diffraction/ A6150L Crystal binding A6165 Crystal structure of specific organic compounds
National Category
Chemical Sciences
URN: urn:nbn:se:uu:diva-228752ISI: 2165755OAI: oai:DiVA.org:uu-228752DiVA: diva2:734794
Available from: 2014-07-21 Created: 2014-07-21 Last updated: 2014-07-21

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