title: Structure of nickel(II) perbromate hexahydrate at 296 K.
abstract: Ni(BrO4)2.6H2O, Mr = 454.61, trigonal, P3, a = 7.874 (1), c = 5.423 (2) A, V = 291.2 (1) A3, Z = 1, D chi = 2.59 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 85.36 cm-1, F(000) = 222, T = 296 K, R = 0.029 for 457 unique reflections having I greater than 0. The room-temperature structure is very similar to that reported previously for a sample at 169 K. The water O atoms form a very slightly distorted octahedron about nickel while the perbromate-ion geometry is virtually regular tetrahedral. Both the coordination polyhedron and the perbromate ion were tested and found to behave as rigid bodies. Corrected for rigid-body motion, the Ni--O(2) distance is 2.064 (2) A and the mean Br--O distance in the perbromate ion is 1.629 (3) A. A detailed account of the hydrogen bonding is presented. The structure previously determined at 169 K is most probably not the stable structure at that temperature.
authors.affiliation: Department of Chemistry, Ohio State University, Columbus 43210.
authors.forename: J C
authors.initials: JC
authors.lastname: Gallucci
authors.forename: R E
authors.initials: RE
authors.lastname: Gerkin
authors.forename: W J
authors.initials: WJ
authors.lastname: Reppart
mesh_terms: D001959:Bromates / Q000737:chemistry*; D006860:Hydrogen Bonding; D015394:Molecular Structure; D009532:Nickel / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D001959:Bromates; C067498:nickel(II) perbromate; D009532:Nickel