Crystal structure of (C9H17N2)3Bi2I9
James, Z., Cai, Y. and Vaqueiro, P.
It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1107/S2056989021007799 Abstract/SummarySingle crystals of (C9H7N2)3Bi2I9, tris(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium) tris(μ2-iodo)-bis(tri-iodobismuth(III)), were prepared by a solvothermal method, heating a mixture of BiI3, KI, 1,8-diazabicyclo [5.4.0]undec-7-ene (DBU) and ethanol at 170°C for six days. The asymmetric unit of the title compound, which crystallises in the monoclinic space group P21/c, contains one [Bi2I9]3- anion and three protonated DBUH+ moieties. The dinuclear [Bi2I9]3- anions, which are composed of face-sharing BiI6 3- octahedra, are packed in columns parallel to the [010] direction, and separated by protonated DBUH+ moieties. The optical band gap of (C9H7N2)3Bi2I9 is 2.1 eV.
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