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By Triclinic P and Bruker Smart Ccd Area-detector

Abstract

disorder in solvent or counterion; R factor = 0.041; wR factor = 0.109; data-toparameter ratio = 13.6. In the title compound, [Ni(SCN)(C16H32N4)]ClO4 H2O, the Ni II ion is coordinated by the four N atoms of the tetraazacyclotetradeca-4,11-diene macrocyclic ligand and by the S atom of a thiocyanate anion. The perchlorate anion is rotationally disordered around one Cl—O bond between two orientations; the occupancies refined to 0.61 (4) and 0.39 (4). Intermolecular O—H N, N—H O and N—H N hydrogen bonds link two cations, two anions and two solvent water molecules into a centrosymmetric cluster. The crystal packing is further stabilized by weak intermolecular C— H O hydrogen bonds. Related literature For the crystal structures of related complexes, see: Bienko e

Topics: wR(F 2) = 0.109
Year: 2009
OAI identifier: oai:CiteSeerX.psu:10.1.1.352.661
Provided by: CiteSeerX
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