Synthesis and Crystal Structure of Diaqua(2,2"-Dipyridyl)isothiocyanatoneptunoyl Monohydrate [NpO2(C10H8N2)(NCS)(H2O)2] · H2O

The crystal structure of the complex [NpO2(C10H8N2)(NCS)(H2O)2] · H2O is determined. The unit cell parameters are a= 7.406, b= 9.517, c= 11.518 Å, α = 103.65°, β = 92.68°, γ = 96.53°, V= 781.6 Å3, space group \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document} $$P\overline 1 $$ \end{document}, Z= 2, ρ(calcd) = 2.257 g/cm3, R= 0.046, Rw= 0.122. The coordination polyhedron of the Np atom is a pentagonal bipyramid with two nitrogen atoms of dipyridyl, a nitrogen atom of isothiocyanate ion, two oxygen atoms of water molecules lying in the equatorial plane, and oxygen atoms of the neptunoyl group lying in the axial positions.