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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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Autores principales: Aziz, Ozha A., Zeller, Matthias, Zaleski, Curtis M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
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).
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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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