Abstract
The title compound, {[Ca1.5(C3H5Cl2O6P2)(H2O)2]·0.5CH3COCH3·4.5H2O}n, has a two-dimensional polymeric structure. The asymmetric unit contains two crystallographically independent Ca2+ cations connected by a chelating and bridging ethyl (dichloromethylene)diphosphonate(3−) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octahedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry. The polymeric layers are further connected by extensive O—H⋯O hydrogen bonding into a three-dimensional supramolecular network. The acetone solvent molecule and one uncoordinated water molecule are located on twofold rotation axes.
Highlights
The asymmetric unit contains two crystallographically independent Ca2+ cations connected by a chelating and bridging ethyldiphosphonate(3) ligand and an aqua ligand
One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octahedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry
The polymeric layers are further connected by extensive O—H O
Summary
Jonna Jokiniemi,a* Sirpa Peräniemi,b Jouko Vepsäläinenb and Markku Ahlgréna a Department of Chemistry, University of Joensuu, PO Box 111, FI-80101 Joensuu, Finland, and bLaboratory of Chemistry, Department of Biosciences, University of Kuopio, PO Box 1627, FI-70211 Kuopio, Finland. R factor = 0.030; wR factor = 0.073; data-to-parameter ratio = 19.8. The asymmetric unit contains two crystallographically independent Ca2+ cations connected by a chelating and bridging ethyl (dichloromethylene)diphosphonate(3) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octahedral geometry, while the other Ca atom is seven-coordinated in a distorted monocapped trigonal-prismatic geometry. The polymeric layers are further connected by extensive O—H O hydrogen bonding into a three-dimensional supramolecular network. The acetone solvent molecule and one uncoordinated water molecule are located on twofold rotation axes
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