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Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O
The synthesis and crystal structure for the title compound, hexaaquahexakis(μ-2-hydroxybenzenecarbohydroxamato)bis(2-hydroxybenzenecarbohydroxamato)tetraindium(III) tetranitrate 8.57-hydrate + unknown solvent, [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O·solvent, where H(2)sh...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443793/ https://www.ncbi.nlm.nih.gov/pubmed/36072520 http://dx.doi.org/10.1107/S2056989022007964 |
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author | Aziz, Ozha A. Zeller, Matthias Zaleski, Curtis M. |
author_facet | Aziz, Ozha A. Zeller, Matthias Zaleski, Curtis M. |
author_sort | Aziz, Ozha A. |
collection | PubMed |
description | The synthesis and crystal structure for the title compound, hexaaquahexakis(μ-2-hydroxybenzenecarbohydroxamato)bis(2-hydroxybenzenecarbohydroxamato)tetraindium(III) tetranitrate 8.57-hydrate + unknown solvent, [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O·solvent, where H(2)shi(−) is salicylhydroximate (C(7)H(5)NO(3)), are reported. The complex cation of the structure, [In(4)(H(2)shi)(8)(H(2)O)(6)](4+), is a dimer with a step-like topology and possesses an inversion center that relates each [In(2)(H(2)shi)(4)(H(2)O)(3)](2+) side of the complex cation. Each In(III) ion is seven-coordinate with a pentagonal–bipyramidal geometry, and the salicylhydroximate ligands have a 1− charge as only the oxime oxygen of the ligand is deprotonated. Four interstitial nitrate anions maintain the charge balance of the compound. One of the nitrate anions (and its symmetry equivalent) is disordered over two different orientations with an occupancy ratio of 0.557 (7) to 0.443 (7). The interstitial solvent water molecules show substantial disorder. Approximately 8.57 water molecules per formula unit were refined as disordered and partially occupied, while a suitable model could not be devised for the other extensively disordered solvent molecules (water and possibly methanol as this was the synthesis solvent). Thus, these latter solvent molecules were instead treated with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18.] as implemented in the program PLATON, and the procedure corrected for 151 electrons within solvent-accessible voids of 367 Å(3). |
format | Online Article Text |
id | pubmed-9443793 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-94437932022-09-06 Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O Aziz, Ozha A. Zeller, Matthias Zaleski, Curtis M. Acta Crystallogr E Crystallogr Commun Research Communications The synthesis and crystal structure for the title compound, hexaaquahexakis(μ-2-hydroxybenzenecarbohydroxamato)bis(2-hydroxybenzenecarbohydroxamato)tetraindium(III) tetranitrate 8.57-hydrate + unknown solvent, [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O·solvent, where H(2)shi(−) is salicylhydroximate (C(7)H(5)NO(3)), are reported. The complex cation of the structure, [In(4)(H(2)shi)(8)(H(2)O)(6)](4+), is a dimer with a step-like topology and possesses an inversion center that relates each [In(2)(H(2)shi)(4)(H(2)O)(3)](2+) side of the complex cation. Each In(III) ion is seven-coordinate with a pentagonal–bipyramidal geometry, and the salicylhydroximate ligands have a 1− charge as only the oxime oxygen of the ligand is deprotonated. Four interstitial nitrate anions maintain the charge balance of the compound. One of the nitrate anions (and its symmetry equivalent) is disordered over two different orientations with an occupancy ratio of 0.557 (7) to 0.443 (7). The interstitial solvent water molecules show substantial disorder. Approximately 8.57 water molecules per formula unit were refined as disordered and partially occupied, while a suitable model could not be devised for the other extensively disordered solvent molecules (water and possibly methanol as this was the synthesis solvent). Thus, these latter solvent molecules were instead treated with the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18.] as implemented in the program PLATON, and the procedure corrected for 151 electrons within solvent-accessible voids of 367 Å(3). International Union of Crystallography 2022-08-18 /pmc/articles/PMC9443793/ /pubmed/36072520 http://dx.doi.org/10.1107/S2056989022007964 Text en © Aziz et al. 2022 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 Aziz, Ozha A. Zeller, Matthias Zaleski, Curtis M. Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title | Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title_full | Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title_fullStr | Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title_full_unstemmed | Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title_short | Crystal structure of an indium–salicylhydroximate complex cation: [In(4)(H(2)shi)(8)(H(2)O)(6)](NO(3))(4)·8.57H(2)O |
title_sort | crystal structure of an indium–salicylhydroximate complex cation: [in(4)(h(2)shi)(8)(h(2)o)(6)](no(3))(4)·8.57h(2)o |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443793/ https://www.ncbi.nlm.nih.gov/pubmed/36072520 http://dx.doi.org/10.1107/S2056989022007964 |
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