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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2021
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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. |
format | Online Article Text |
id | pubmed-8423012 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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