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Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]

Single crystals of tris­(2,3,4,6,7,8,9,10-octa­hydro­pyrimido[1,2-a]azepin-1-ium) tri-μ(2)-iodido-bis­[tri­iodido­bis­muth(III)], (C(9)H(17)N(2))(3)[Bi(2)I(9)], were prepared by a solvothermal method, heating a mixture of BiI(3), KI, 1,8-di­aza­bicyclo­[5.4.0]undec-7-ene (DBU) and ethanol at 443 K f...

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Detalles Bibliográficos
Autores principales: James, Zoe, Cai, Yunhe, Vaqueiro, Paz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8423012/
https://www.ncbi.nlm.nih.gov/pubmed/34584758
http://dx.doi.org/10.1107/S2056989021007799
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author James, Zoe
Cai, Yunhe
Vaqueiro, Paz
author_facet James, Zoe
Cai, Yunhe
Vaqueiro, Paz
author_sort James, Zoe
collection PubMed
description Single crystals of tris­(2,3,4,6,7,8,9,10-octa­hydro­pyrimido[1,2-a]azepin-1-ium) tri-μ(2)-iodido-bis­[tri­iodido­bis­muth(III)], (C(9)H(17)N(2))(3)[Bi(2)I(9)], were prepared by a solvothermal method, heating a mixture of BiI(3), KI, 1,8-di­aza­bicyclo­[5.4.0]undec-7-ene (DBU) and ethanol at 443 K for six days. The asymmetric unit of the title compound, which crystallizes in the monoclinic space group P2(1)/c, contains one [Bi(2)I(9)](3−) anion and three protonated DBUH(+) moieties. The dinuclear [Bi(2)I(9)](3−) anions, which are composed of face-sharing BiI(6) (3−) octa­hedra, are packed in columns parallel to the [010] direction, and separated by protonated DBUH(+) moieties. The optical band gap of (C(9)H(7)N(2))(3)Bi(2)I(9) is 2.1 eV.
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spelling pubmed-84230122021-09-27 Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)] James, Zoe Cai, Yunhe Vaqueiro, Paz Acta Crystallogr E Crystallogr Commun Research Communications Single crystals of tris­(2,3,4,6,7,8,9,10-octa­hydro­pyrimido[1,2-a]azepin-1-ium) tri-μ(2)-iodido-bis­[tri­iodido­bis­muth(III)], (C(9)H(17)N(2))(3)[Bi(2)I(9)], were prepared by a solvothermal method, heating a mixture of BiI(3), KI, 1,8-di­aza­bicyclo­[5.4.0]undec-7-ene (DBU) and ethanol at 443 K for six days. The asymmetric unit of the title compound, which crystallizes in the monoclinic space group P2(1)/c, contains one [Bi(2)I(9)](3−) anion and three protonated DBUH(+) moieties. The dinuclear [Bi(2)I(9)](3−) anions, which are composed of face-sharing BiI(6) (3−) octa­hedra, are packed in columns parallel to the [010] direction, and separated by protonated DBUH(+) moieties. The optical band gap of (C(9)H(7)N(2))(3)Bi(2)I(9) is 2.1 eV. International Union of Crystallography 2021-08-06 /pmc/articles/PMC8423012/ /pubmed/34584758 http://dx.doi.org/10.1107/S2056989021007799 Text en © James et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
James, Zoe
Cai, Yunhe
Vaqueiro, Paz
Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title_full Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title_fullStr Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title_full_unstemmed Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title_short Crystal structure of (C(9)H(17)N(2))(3)[Bi(2)I(9)]
title_sort crystal structure of (c(9)h(17)n(2))(3)[bi(2)i(9)]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8423012/
https://www.ncbi.nlm.nih.gov/pubmed/34584758
http://dx.doi.org/10.1107/S2056989021007799
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