Supporting information for this article is available on the WWW under http://dx.doi.org/10.1002/zaac.201100088 or from the author.
Crystal Structure, Synthesis, and Properties of tri-Calcium di-Citrate tetra-Hydrate [Ca3(C6H5O7)2(H2O)2]·2H2O†
Article first published online: 19 APR 2011
Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Zeitschrift für anorganische und allgemeine Chemie
Volume 637, Issue 6, pages 655–659, May 2011
How to Cite
Herdtweck, E., Kornprobst, T., Sieber, R., Straver, L. and Plank, J. (2011), Crystal Structure, Synthesis, and Properties of tri-Calcium di-Citrate tetra-Hydrate [Ca3(C6H5O7)2(H2O)2]·2H2O. Z. anorg. allg. Chem., 637: 655–659. doi: 10.1002/zaac.201100088
- Issue published online: 19 MAY 2011
- Article first published online: 19 APR 2011
- Manuscript Accepted: 15 APR 2011
- Manuscript Received: 21 FEB 2011
- X-ray diffraction;
- Hydrothermal synthesis
From hydrothermal synthesis needle-shaped crystals of [Ca3(C6H5O7)2(H2O)2]·2H2O were obtained. The crystal structure was determined by single-crystal X-ray experiments and confirmed by powder data (P (no. 2) a = 5.9466(4), b = 10.2247(8), c = 16.6496(13) Å, α = 72.213(7)°, β = 79.718(7)°, γ = 89.791(6)°, V = 947.06(13) Å3, Z = 2, R1 = 0.0426, wR2 = 0.1037). The structure was obtained from pseudo merohedrically polysynthetic twinned crystals using a combined data collection approach and refinement processes. The observed three-dimensional network is dominated by eightfold coordinated Ca2+ cations linked by citrate anions and hydrogen bonds between two non-coordinating crystal water molecules and two coordinating water molecules.