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Crystal structure of orthorhombic ferrous nitroprusside: Fe[Fe(CN)5NO].2H2O

Published online by Cambridge University Press:  01 March 2012

J. Rodríguez-Hernández ,
E. Reguera  and
A. Gómez
J. Rodríguez-Hernández
Affiliation:
Institute of Materials and Reagents, University of Havana, San Lazaro and L, 10400 Havana, Cuba
E. Reguera*
Affiliation:
Institute of Materials and Reagents, University of Havana, San Lazaro and L, 10400 Havana, Cuba
A. Gómez
Affiliation:
Department of Physics, University of Guelph, MacNaughton Building, Gordon Street, Guelph, Ontario, Canada
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

Ferrous nitroprusside can be obtained in three structural modifications: two different unstable phases, monoclinic trihydrate and cubic pentahydrate, and the stable one, an orthorhombic dihydrate. This contribution reports the crystal structure of the last one. Cell parameters are: a=13.9734 (2), b=7.4274 (1), and c=10.4697 (1) Å; with four formula units per cell (Z=4). The crystal structure was refined from the corresponding XRD powder pattern using the Rietveld method. Final agreement factors of the refinement process were Rwp=8.46, Rp=6.54, and S=1.38. The crystal structure is formed by a tridimensional assembling of the [Fe(CN)5NO] molecular block through iron atoms bounded at the N end of the CN ligands. The NO group remains unlinked at its O atom. The octahedral coordination of the assembling metal is completed with a coordinated water molecule which stabilizes a second water through a strong hydrogen bond interaction. The tridimensional structure appears as piled up rippled sheets leading to a system of interconnected small cavities which increase their available volume on the material dehydration. This complex loses its crystal water below 100 °C and then remains stable up to above 160 °C when the decomposition process begins with the loss of the NO ligand.

Keywords

ferrous nitroprussidepentacyanonitrosylferrateMössbauer spectroscopyX-ray diffractioncrystal structureRietveld refinement
Type
Technical Articles
Information
Powder Diffraction , Volume 20 , Issue 1 , March 2005 , pp. 27 - 32
Copyright
Copyright © Cambridge University Press 2005

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