The structure of hexaaquanickel(II) chlorate

Hexaaquanickel(II) chlorate, [Ni(H2O)6]-(ClO3)2, Mr = 333.69, cubic, Pa3-, a = 10.3159 (5) A, V = 1097.80 (5) A3, Z = 4, F(000) = 680, Dx = 2.02 g cm-3, lambda(Mo K alpha-) = 0.71069 A, T = 296 K, mu = 23.13 cm-1, R = 0.026 for 388 unique reflections having I greater than sigma I. The single type of Ni ion is coordinated by six water-molecule O atoms, each at an observed distance 2.054 (1) A, in an almost regular octahedral array. The single type of chlorate ion has a Cl--O bond length 1.487 (1) A and O--Cl--O bond angle 106.45 (6) degrees. The Ni--O complex, but not the chlorate ion, manifested rigid-body behavior. The Ni--O distance corrected for rigid-body motion is 2.060 A. Location and refinement of the two inequivalent H atoms permitted a detailed analysis of hydrogen bonding, which occurs principally between the oxygen octahedra and the chlorate groups.