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Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3)
In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in a fac arrangement, forming a slightly distorted N(3)O(3) octahedron. Sta...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438839/ https://www.ncbi.nlm.nih.gov/pubmed/26029394 http://dx.doi.org/10.1107/S2056989015004831 |
| _version_ | 1782372400782901248 |
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| author | Kucheriv, Olesia I. Shylin, Sergii I. Ilina, Tetiana A. Dechert, Sebastian Gural’skiy, Il’ya A. |
| author_facet | Kucheriv, Olesia I. Shylin, Sergii I. Ilina, Tetiana A. Dechert, Sebastian Gural’skiy, Il’ya A. |
| author_sort | Kucheriv, Olesia I. |
| collection | PubMed |
| description | In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in a fac arrangement, forming a slightly distorted N(3)O(3) octahedron. Stabilization within the crystal structure is provided by O—H⋯N hydrogen bonds; the H atoms from coordinating water molecules act as donors to the N atoms of guest 2,3-dimethylpyrazine molecules, leading to a three-dimensional supramolecular framework. |
| format | Online Article Text |
| id | pubmed-4438839 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-44388392015-05-30 Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) Kucheriv, Olesia I. Shylin, Sergii I. Ilina, Tetiana A. Dechert, Sebastian Gural’skiy, Il’ya A. Acta Crystallogr E Crystallogr Commun Research Communications In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in a fac arrangement, forming a slightly distorted N(3)O(3) octahedron. Stabilization within the crystal structure is provided by O—H⋯N hydrogen bonds; the H atoms from coordinating water molecules act as donors to the N atoms of guest 2,3-dimethylpyrazine molecules, leading to a three-dimensional supramolecular framework. International Union of Crystallography 2015-03-18 /pmc/articles/PMC4438839/ /pubmed/26029394 http://dx.doi.org/10.1107/S2056989015004831 Text en © Kucheriv 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 | Research Communications Kucheriv, Olesia I. Shylin, Sergii I. Ilina, Tetiana A. Dechert, Sebastian Gural’skiy, Il’ya A. Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title | Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title_full | Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title_fullStr | Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title_full_unstemmed | Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title_short | Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3) |
| title_sort | crystal structure of the co-crystal fac-triaquatris(thiocyanato-κn)iron(iii)–2,3-dimethylpyrazine (1/3) |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438839/ https://www.ncbi.nlm.nih.gov/pubmed/26029394 http://dx.doi.org/10.1107/S2056989015004831 |
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