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Crystal structure of tris(1,10-phenanthroline-κ(2) N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
The crystal structure of the title complex, [Fe(C(12)H(8)N(2))(3)][(CF(3)SO(2))(2)N](2)·H(2)O, is constructed by one octahedral [Fe(phen)(3)](2+) (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf(2)N(−) [bis(trifluoromethylsulfonyl)imide] anions, and one water molecule of cr...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331886/ https://www.ncbi.nlm.nih.gov/pubmed/25705476 http://dx.doi.org/10.1107/S2056989014026966 |
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author | Teramoto, Kazunori Kawasaki, Takeshi Nishide, Toshikazu Ikeda, Yasuhisa |
author_facet | Teramoto, Kazunori Kawasaki, Takeshi Nishide, Toshikazu Ikeda, Yasuhisa |
author_sort | Teramoto, Kazunori |
collection | PubMed |
description | The crystal structure of the title complex, [Fe(C(12)H(8)N(2))(3)][(CF(3)SO(2))(2)N](2)·H(2)O, is constructed by one octahedral [Fe(phen)(3)](2+) (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf(2)N(−) [bis(trifluoromethylsulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe—N bond lengths are indicative of a d (6) low-spin state for the Fe(II) ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf(2)N(−) counter-anion is non-coordinating, with the –CF(3) groups arranged in a trans fashion with respect to each other, leading to an anti,anti conformation of the –CF(3) groups and –SO(2)N– moieties relative to the S—C bonds. The water molecule of crystallization connects two O atoms of the Tf(2)N(−) anions through weak hydrogen bonds. C—H⋯O hydrogen-bonding interactions are also observed, consolidating the packing of the molecules into a three-dimensional network structure. |
format | Online Article Text |
id | pubmed-4331886 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43318862015-02-20 Crystal structure of tris(1,10-phenanthroline-κ(2) N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate Teramoto, Kazunori Kawasaki, Takeshi Nishide, Toshikazu Ikeda, Yasuhisa Acta Crystallogr E Crystallogr Commun Data Reports The crystal structure of the title complex, [Fe(C(12)H(8)N(2))(3)][(CF(3)SO(2))(2)N](2)·H(2)O, is constructed by one octahedral [Fe(phen)(3)](2+) (phen = 1,10-phenanthroline) cation (point group symmetry 2), two Tf(2)N(−) [bis(trifluoromethylsulfonyl)imide] anions, and one water molecule of crystallization (point group 2). The Fe—N bond lengths are indicative of a d (6) low-spin state for the Fe(II) ion in the complex. The dihedral angle between the phen ligands in the cation is 87.64 (6)°. The Tf(2)N(−) counter-anion is non-coordinating, with the –CF(3) groups arranged in a trans fashion with respect to each other, leading to an anti,anti conformation of the –CF(3) groups and –SO(2)N– moieties relative to the S—C bonds. The water molecule of crystallization connects two O atoms of the Tf(2)N(−) anions through weak hydrogen bonds. C—H⋯O hydrogen-bonding interactions are also observed, consolidating the packing of the molecules into a three-dimensional network structure. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331886/ /pubmed/25705476 http://dx.doi.org/10.1107/S2056989014026966 Text en © Teramoto et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Teramoto, Kazunori Kawasaki, Takeshi Nishide, Toshikazu Ikeda, Yasuhisa Crystal structure of tris(1,10-phenanthroline-κ(2) N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title | Crystal structure of tris(1,10-phenanthroline-κ(2)
N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title_full | Crystal structure of tris(1,10-phenanthroline-κ(2)
N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title_fullStr | Crystal structure of tris(1,10-phenanthroline-κ(2)
N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title_full_unstemmed | Crystal structure of tris(1,10-phenanthroline-κ(2)
N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title_short | Crystal structure of tris(1,10-phenanthroline-κ(2)
N,N′)iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
title_sort | crystal structure of tris(1,10-phenanthroline-κ(2)
n,n′)iron(ii) bis[bis(trifluoromethylsulfonyl)imide] monohydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331886/ https://www.ncbi.nlm.nih.gov/pubmed/25705476 http://dx.doi.org/10.1107/S2056989014026966 |
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