Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.

12 Issues per year


IMPACT FACTOR 2016: 3.179

CiteScore 2016: 3.30

SCImago Journal Rank (SJR) 2016: 1.097
Source Normalized Impact per Paper (SNIP) 2016: 2.592

Online
ISSN
2196-7105
See all formats and pricing
More options …
Volume 219, Issue 2 (Feb 2004)

Issues

Crystal and electronic structure of aqua(N-salicylidene-methylester-l-glutamato)Cu(II) monohydrate

Vratislav Langer / Dalma Gyepesová / Eva Scholtzová / Pavel Mach / Mária Kohútová / Aladár Valent / L'ubomír Smrčok
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.219.2.112.26316

Abstract

The absolute structure of the title compound, CuNC13H17O7, has been determined. The crystal structure consists of the molecular units Cu(N-sal-5-met-L-glu)(H2O) connected by a three-dimensional network of hydrogen bonds. The coordination polyhedron in the complex is approximately square-pyramidal with a pentacoordinated Cu(II) atom. The base of the pyramid is formed by nitrogen and oxygen atoms belonging to the molecule, while the apex of the pyramid contains a weakly bonded oxygen atom of the carboxylic group of another molecule. The B3LYP/SVP method and basis set in Gaussian98 was used for quantum chemical calculation of the nature of Cu–X (X = O, N) bonds. While the calculated dissociation energy of the weakly bonded crystalline water is only 17.2 kJ/mol, the bonding energy of the water molecule coordinating to the Cu atom is 62.3 kJ/mol.

About the article

Published Online: 2009-09-25

Published in Print: 2004-02-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.219.2.112.26316.

Export Citation

© 2004 Oldenbourg Wissenschaftsverlag GmbH. Copyright Clearance Center

Citing Articles

Here you can find all Crossref-listed publications in which this article is cited. If you would like to receive automatic email messages as soon as this article is cited in other publications, simply activate the “Citation Alert” on the top of this page.

[1]
Z. Puterová-Tokárová, V. Mrázová, and R. Boča
Polyhedron, 2013, Volume 61, Page 87
[2]
Vratislav Langer, Pavol Mach, Dalma Gyepesová, Lucia Andrezálová, and Mária Kohútová
Acta Crystallographica Section C Crystal Structure Communications, 2012, Volume 68, Number 11, Page m326
[3]
Martin Breza and Stanislav Biskupič
Journal of Molecular Structure: THEOCHEM, 2006, Volume 760, Number 1-3, Page 141
[4]
Martin Breza and Stanislav Biskupič
Journal of Molecular Structure: THEOCHEM, 2006, Volume 770, Number 1-3, Page 139
[5]
A. Valent, M. KohútovÁ, O. ŠvajlenovÁ, D. Hudecová, P. Olejníková, and M. Melník
Journal of Coordination Chemistry, 2004, Volume 57, Number 15, Page 1279
[6]
Zita Puterová, Jindra Valentová, Zuzana Bojková, Jozef Kožíšek, and Ferdinand Devínsky
Dalton Transactions, 2011, Volume 40, Number 7, Page 1484

Comments (0)

Please log in or register to comment.
Log in