Jokiniemi Jonna, Peräniemi Sirpa, Vepsäläinen Jouko, Ahlgrén Markku
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 25;65(Pt 4):m436-7. doi: 10.1107/S1600536809010150.
The title compound, {[Ca(1.5)(C(3)H(5)Cl(2)O(6)P(2))(H(2)O)(2)]·0.5CH(3)COCH(3)·4.5H(2)O}(n), has a two-dimensional polymeric structure. The asymmetric unit contains two crystallographically independent Ca(2+) cations connected by a chelating and bridging ethyl (dichloro-methyl-ene)diphos-pho-n-ate(3(-)) ligand and an aqua ligand. One of the Ca atoms, lying on a centre of symmetry, has a slightly distorted octa-hedral 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 supra-molecular network. The acetone solvent mol-ecule and one uncoordin-ated water mol-ecule are located on twofold rotation axes.
标题化合物{[Ca(1.5)(C₃H₅Cl₂O₆P₂)(H₂O)₂]·0.5CH₃COCH₃·4.5H₂O}ₙ具有二维聚合物结构。不对称单元包含两个通过螯合和桥连的乙基（二氯亚甲基）二膦酸根(3⁻)配体及一个水配体相连的晶体学独立Ca²⁺阳离子。其中一个位于对称中心的Ca原子具有轻微扭曲的八面体几何构型，而另一个Ca原子以扭曲的单帽三角棱柱几何构型七配位。聚合物层通过广泛的O—H⋯O氢键进一步连接成三维超分子网络。丙酮溶剂分子和一个未配位的水分子位于二重旋转轴上。
