Crystal Structure, Synthesis, and Properties of tri‐Calcium di‐Citrate tetra‐Hydrate [Ca3(C6H5O7)2(H2O)2]·2H2O
- 19 April 2011
- journal article
- research article
- Published by Wiley in Zeitschrift für anorganische und allgemeine Chemie
- Vol. 637 (6) , 655-659
Abstract
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$\bar{1}$ (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.Keywords
This publication has 11 references indexed in Scilit:
- Influence of citric acid on the hydration of Portland cementCement and Concrete Research, 2009
- Competitive adsorption between superplasticizer and retarder molecules on mineral binder surfaceCement and Concrete Research, 2008
- Homo- and hetero-metallic manganese citrate complexes: Syntheses, crystal structures and magnetic propertiesPolyhedron, 2005
- WinGXsuite for small-molecule single-crystal crystallographyJournal of Applied Crystallography, 1999
- Axial Divergence in a Conventional X-ray Powder Diffractometer. I. Theoretical FoundationsJournal of Applied Crystallography, 1998
- SIRPOW.92 – a program for automatic solution of crystal structures by direct methods optimized for powder dataJournal of Applied Crystallography, 1994
- Structure of strontium citrate pentahydrateActa Crystallographica Section C Crystal Structure Communications, 1993
- Rietveld refinement of Debye–Scherrer synchrotron X-ray data from Al2O3Journal of Applied Crystallography, 1987
- Correction of intensities for preferred orientation in powder diffractometry: application of the March modelJournal of Applied Crystallography, 1986
- Calcium hydrogen citrate trihydrateActa Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1974