Abstract
Tris(glycine)calcium(II)diiodide monohydrate, (NH 2CH 2COOH) 3 CaI 2·H 2O, crystallises in a tetra-molecular monoclinic unit cell of dimensions a = 12.069(8), b = 7.374(13), C = 19.129(21) A ̊ and β = 109°36(8)′, in the space group P 1/ c. The crystal structure has been elucidated using the three-dimensional Patterson synthesis for locating the heavy atoms, and successive Fourier syntheses for the location of the light atoms, with 1229 visually estimated photographically recorded reflections. With anisotropic thermal parameters for the calcium and iodine atoms and isotropic thermal parameters for the other non-hydrogen atoms, the final R factor is 0.102. The calcium atom is coordinated to seven oxygen atoms—five from the glycine molecules and two from water molecules— forming a distorted pentagonal bipyramid. One of the glycine molecules links the adjacent CaO polyhedra. Iodine atoms do not take part in calcium coordination. A hydrogen bonding scheme has been proposed on the basis of interatomic distances in the structure.
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