{"title":"Neutron structure of strontium pentacyanonitrosylferrate(II) tetrahydrate below the 153 K phase transition","authors":"G. Chevrier, A. Navaza, J.-M. Kiat , J.A. Güida","doi":"10.1016/S0992-4361(99)80007-1","DOIUrl":null,"url":null,"abstract":"<div><p>The average structure in the space group C2/m at 130 K of strontium pentacyanonitrosylferrate(H) tetrahydrate (strontium nitroprusside tetrahydrate, Sr[Fe(CN)<sub>5</sub>NO].4H<sub>2</sub>O, space group P2/m, monoclinic, Z=4, a=19.816(24), b=7.563(7), c=8.406(9) Å, β=99.02°, V=1244(24) Å<sup>3</sup>) has been determined using neutron diffraction. A final R factor 0.061 was obtained using 665 observed structure factors.</p><p>When going from room temperature to 130 K the space group C2/m changes to P2/m. A rearrangement of hydrogen atoms is produced due to 14.3, 17.2, 5.9 and 26° rotations of the planes of W1, W2, W3 and W4 water molecules, respectively. As a consequence of this structural modification, the weakening of some hydrogen bonds related to the W4 molecule and the reinforcement of the hydrogen bonds of the W2 molecule along the [0 1 0] direction are observed.</p></div>","PeriodicalId":100507,"journal":{"name":"European Journal of Solid State and Inorganic Chemistry","volume":"35 10","pages":"Pages 667-678"},"PeriodicalIF":0.0000,"publicationDate":"1998-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/S0992-4361(99)80007-1","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"European Journal of Solid State and Inorganic Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0992436199800071","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 2
Abstract
The average structure in the space group C2/m at 130 K of strontium pentacyanonitrosylferrate(H) tetrahydrate (strontium nitroprusside tetrahydrate, Sr[Fe(CN)5NO].4H2O, space group P2/m, monoclinic, Z=4, a=19.816(24), b=7.563(7), c=8.406(9) Å, β=99.02°, V=1244(24) Å3) has been determined using neutron diffraction. A final R factor 0.061 was obtained using 665 observed structure factors.
When going from room temperature to 130 K the space group C2/m changes to P2/m. A rearrangement of hydrogen atoms is produced due to 14.3, 17.2, 5.9 and 26° rotations of the planes of W1, W2, W3 and W4 water molecules, respectively. As a consequence of this structural modification, the weakening of some hydrogen bonds related to the W4 molecule and the reinforcement of the hydrogen bonds of the W2 molecule along the [0 1 0] direction are observed.
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