Abstract
Abstract The crystal structure of tetrakis(diacetamide)calcium(II) chlorate monohydrates [Ca(DA)4]ClO3)2·H2O, has been determined from three-dimensional X-ray data. The complex has the cell parameters a = 12.399(3) A, b = 7.900(2) A, c = 14.725(3) A, β = 98.35(2)°, Z = 2. The unit cell is monoclinic, space group P2/c. The structure was determined by direct methods and refined anisotropically by block-diagonal least squares to a conventional unweighted R of 0.11. The calcium ion is 8-coordinated and its coordination sphere can be described as a square antiprism formed by eight carbonyl oxygens from 4 diacetamide ligands; two ligands are related to the other two by a two-fold rotation axis. One of the amide nitrogens is hydrogen bonded to a chlorate oxygen. In addition, hydrogen bondingbetween an amide nitrogen and an uncoordinated water molecule results in the formation of infinite chains parallel to [100]. Calcium-oxygen distances fall within the range 2.41–2.44 A.
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