Crystal structure and electron density of diammonium hexaaquacopper(II) sulfate

摘要: An accurate set of X-ray data collected at 298 K was used to refine the structure and study deformation density title compound [NH412[Cu(H20)6](SO4)2, M r=399.93, monoclinic, P21/a, a= 9.216 (3), b = 12.398 c= 6.301 (2)A, fl= 106.12(2) ° , V=691.59A -3, Z=2, Dx= 1.920 Mg m 2(Mo Ka) 0-71069 A, p 1.792 mm -~, F(000) 414, R 0.044, wR 0.019 for 5007 reflections. A neutron confirmed accuracy bond lengths reported in an earlier determination. The radial near Cu atom also varies, a manner correlated with metal-oxygen length, consistent trends isomorphous magnesium nickel structures. Large differences affected by Jahn-Teller distortion are influenced interactions neighbouring groups. strengths bonds increased hydrogen bonding ligating water molecules, decreased interaction between oxygen lone pairs ammonium group.