Crystal structure of o-Phenanthrolinebis(thiourea)copper(I) iodide o-phenanthroline: Stereochemistry of [M(bidentate)(unidentate)2] coordination

Sydney R. Hall, David L. Kepert, Colin L. Raston, Allan H. White

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The crystal structure of the title compound, [Cu{CS(NH2)2}2(phen)] I, phen, has been determined by X-ray diffraction with direct methods, and refined by least squares to a residual of 0.043 for 5383 ‘observed’ reflections. Crystals are triclinic, P1, a 13.263(8), b 12.449(2), c 10.214(2) Å, α 113.20(2), β 90.16(2), γ 112.72(2)°, Z 2. The coordination about the copper is pseudo-tetrahedral, distorted by the bite of the phenanthroline ligand [Cu-S, 2.295(2), 2.280(1) Å Cu-N, 2.072(4), 2.089(5) Å, N-Cu-N, 81.0(2)° S-Cu-S, 117.31(6)° N-Cu-S, 107.7(11)-117.23(9)°]. In addition the structure provides the first example of the determination of the geometry of the uncoordinated o- phenanthro-line molecule. The stereochemistry of the [M(bidentate)(unidentate)2] coordination type is considered in terms of a repulsion model.

Original languageEnglish
Pages (from-to)1955-1963
Number of pages9
JournalAustralian Journal of Chemistry
Volume30
Issue number9
DOIs
Publication statusPublished - 1977
Externally publishedYes

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