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Tetraaqua(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylato-κ2N3,O)cobalt(II) 2.5-hydrate

✍ Scribed by Sridhar, Balasubramanian ;Ravikumar, Krishnan


Publisher
International Union of Crystallography
Year
2007
Tongue
English
Weight
813 KB
Volume
63
Category
Article
ISSN
1600-5368

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✦ Synopsis


The Co II ion in the title compound, [Co(C 5 H 2 N 2 O 4 )(H 2 O) 4 ]Á-2.5H 2 O, is chelated by the orotate dianion through carboxylate O and pyrimidine N atoms, and its octahedral geometry is completed by four water molecules. An intermolecular N-HÁ Á ÁO hydrogen bond forms an orotate-orotate dimer. An extensive three-dimensional hydrogen-bonded network of O-HÁ Á ÁO and N-HÁ Á ÁO bonds and weakinteraction [3.754 (2) A ˚] stabilize the crystal structure. One of the solvent water molecules is located on a twofold rotation axis.


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✍ Li, Xing ;Bi, Wenhua ;Yuan, Daqiang ;Cao, Rong 📂 Article 📅 2003 🏛 International Union of Crystallography 🌐 English ⚖ 548 KB

Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.010 A Ê R factor = 0.066 wR factor = 0.166 Data-to-parameter ratio = 10.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.