Remarkable low symmetry hydrogen bonding network in the structure of ReCl2(NCMe)(NO)(PMe3)2

Autor:	Heinz Berke, Andreas Messmer, Heiko Jacobsen, Helmut W. Schmalle
Rok vydání:	2000
Předmět:	Inorganic Chemistry Crystallography Transition metal Chemistry Hydrogen bond Materials Chemistry Molecule Crystal structure Physical and Theoretical Chemistry Low symmetry Single crystal
Zdroj:	Inorganica Chimica Acta. 306:153-159
ISSN:	0020-1693
DOI:	10.1016/s0020-1693(00)00163-8
Popis:	The title compound 1 crystallizes in the space group P21/a with Z=44, being the largest Z value for a transition metal complex observed up to now. Responsible for the unusual high number of independent molecules in the asymmetric unit is a dense network of hydrogen bonds, which do not follow the general rule of lowest entropy in crystals. Methyl groups serve exclusively as H donor groups, leading to hydrogen bonds of the type CH⋯O and CH⋯Cl. The putative appearance of bond-stretch isomers within one single crystal could be traced to a hidden disorder phenomenon. Density functional calculations provided further evidence for this conclusion.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6ee12d6f3ee02363d589e0568177e220 https://doi.org/10.1016/s0020-1693(00)00163-8 Zobrazit plný text záznamu Full Text from ScienceDirect