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A deformation elect...
A deformation electron density study of potassium hydrogen diformate
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- Hermansson, Kersti (författare)
- Uppsala universitet,Kemiska institutionen
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- Tellgren, Roland (författare)
- Uppsala universitet,Kemiska institutionen
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(creator_code:org_t)
- 1989
- 1989
- Engelska.
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Ingår i: Acta Crystallographica Section B. - 0108-7681 .- 1600-5740. ; B45, s. 252-257
- Relaterad länk:
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https://urn.kb.se/re...
Abstract
Ämnesord
Stäng
- KH(HCOO) 2, Mr=130.144, orthorhombic, Pbca, a=17.703(8), b=7.349(4), c=7.302(3) Aring, V=950.1(8) Aring 3, Z=8, Dx=1.820(1) g cm -3, lambda(Mo Kalpha)=0.71069 Aring, mu x(calc.)=0.973 mm -1, F(000)=528, T=120 K, R( F2)=0.033 for 2109 unique reflexions. The deformation electron density in KH(HCOO) 2 has been studied by means of experimental X- N maps obtained at 120 K. The electron distributions in the two chemically similar but crystallographically nonequivalent formate groups are discussed and correlated with bond order. The density distribution in the short intermolecular O-H. . . bond [2.437(1) Aring] is compared with experimental and theoretical maps in related compounds.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- Experimental/ crystal atomic structure of organic compounds
- organic compounds
- potassium compounds/ crystallographically nonequivalent formate groups
- deformation electron density study
- potassium hydrogen diformate
- orthorhombic
- unique reflexions
- experimental X-N maps
- electron distributions
- chemically similar
- bond order
- short intermolecular O-H. . . bond
- related compounds
- 120 K/ A6165 Crystal structure of specific organic compounds/ temperature 1.2E+02 K
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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