Single-crystal characterization of Co7(OH)6(H2O)3(C4H4O4)4⋅7H2O; A new cobalt succinate identified through high-throughput synthesis

Autor:	Nathalie Guillou, Anthony K. Cheetham, Norbert Stock, Andrea R. Burbank, Gérard Férey, Melanie C. O'Sullivan, Paul M. Forster, Carine Livage
Rok vydání:	2005
Předmět:	Hydrogen bond Ab initio chemistry.chemical_element General Chemistry Condensed Matter Physics Nickel Crystallography chemistry Ab initio quantum chemistry methods Molecule General Materials Science Single crystal Cobalt Monoclinic crystal system
Zdroj:	Solid State Sciences. 7:1549-1555
ISSN:	1293-2558
DOI:	10.1016/j.solidstatesciences.2005.04.005
Popis:	A new form of cobalt succinate has been discovered using high-throughput methods and its structure was solved by single crystal X-ray diffraction. Co7(C4H4O4)4(OH)6(H2O)3⋅7H2O crystallizes in the monoclinic space group P 2 1 / c with cell parameters: a = 7.888 ( 2 ) A , b = 19.082 ( 6 ) A , c = 23.630 ( 7 ) A , β = 91.700 ( 5 ) ° , V = 3555 ( 2 ) A 3 , R 1 = 0.0469 . This complex structure, containing 55 crystallographically distinct non-hydrogen atoms, is compared to the previously reported nickel phase, characterized using ab initio structure solution from synchrotron powder diffraction data.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7aeb279a9b85d3fc1489352b96cadbcc https://doi.org/10.1016/j.solidstatesciences.2005.04.005 Zobrazit plný text záznamu Full Text from ScienceDirect