Crystal structure, synthesis, and properties of tri-Calcium di-citrate tetra-hydrate [Ca3(C6H5O7) 2(H2O)2]·2H2O

Eberhardt Herdtweck, Tobias Kornprobst, Roland Sieber, Leo Straver, Johann Plank

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

From hydrothermal synthesis needle-shaped crystals of [Ca 3(C6H5O7)2(H 2O)2]·2H2O were obtained. The crystal structure was determined by single-crystal X-ray experiments and confirmed by powder data (P1̄ (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.

Original languageEnglish
Pages (from-to)655-659
Number of pages5
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume637
Issue number6
DOIs
StatePublished - May 2011
Externally publishedYes

Keywords

  • Calcium
  • Citrates
  • Earlandite
  • Hydrothermal synthesis
  • X-ray diffraction

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