Publishing House SB RAS:

Publishing House SB RAS:

Address of the Publishing House SB RAS:
Morskoy pr. 2, 630090 Novosibirsk, Russia



Advanced Search

Journal of Structural Chemistry

2017 year, number 4

CRYSTAL STRUCTURE OF A NEW BINUCLEAR COMPLEX OF bis(2,4,6,8-TETRAMETHYL-2,4,6,8-TETRAAZABICYCLO(3.3.0)OCTANE -3,7-DIONE-O,O')-DIAQUA-hexakis(NITRATO-O,O')-DIGADOLINIUM(III) MONOHYDRATE

E. E. Netreba1, N. V. Somov2
1Taurida Academy of Vernadsky Crimean Federal University, Simferopol, Russia
2Lobachevsky State University, Nizhny Novgorod, Russia
Keywords: бициклические бисмочевины, мебикар, гадолиний(III), структура, девятивершинник, ИК, РСА, bicyclic bisureas, mebicar, gadolinium(III), structure, nine-vertex polyhedron, IR, single crystal XRD

Abstract

A centrosymmetric binuclear complex of gadolinium(III) nitrate with bicyclic bisurea (2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane-3,7-dione, or mebicar, Mk) [Gd(C8H14N4O2)(H2O)(NO3)3]2×H2O (I) is synthesized and its atomic structure (CIF file CCDC No. 1450653) is determined. The crystals of I are monoclinic: space group P 21/c, a = 10.3861(2) Å, b = 10.80470(10) Å, c = 21.2707(4) Å, β = 128.413(3)°, V = 1870.32 Å3, ρ(calc.) = 2.05094 g/cm3, Z = 2. The gadolinium atom occupies a general position and is coordinated by two oxygen atoms of two Mk molecules related by a symmetry-center operation, three bidentate nitrate anions, and a water molecule. The coordination polyhedron of the gadolinium atom is a nine-vertex polyhedron represented by a distorted three-cap trigonal prism; the Gd⋯Gd distance in the complex is 6.8697(4) Å.