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Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)

The title compound, [Fe(C(3)H(7)NO)(6)][Cd(2)Cl(7)], crystallizes in the trigonal space group R [Image: see text] and is assembled from discrete [Fe(DMF)(6)](3+) cations (DMF = N,N-di­methyl­formamide) and [Cd(2)Cl(7)](3−) anions. In the cation, the iron(III) atom, located on a special position of [...

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Autores principales: Vassilyeva, Olga Yu., Kokozay, Vladimir N., Petrusenko, Svitlana, Sobolev, Alexandre N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8491531/
https://www.ncbi.nlm.nih.gov/pubmed/34667633
http://dx.doi.org/10.1107/S2056989021009580
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author Vassilyeva, Olga Yu.
Kokozay, Vladimir N.
Petrusenko, Svitlana
Sobolev, Alexandre N.
author_facet Vassilyeva, Olga Yu.
Kokozay, Vladimir N.
Petrusenko, Svitlana
Sobolev, Alexandre N.
author_sort Vassilyeva, Olga Yu.
collection PubMed
description The title compound, [Fe(C(3)H(7)NO)(6)][Cd(2)Cl(7)], crystallizes in the trigonal space group R [Image: see text] and is assembled from discrete [Fe(DMF)(6)](3+) cations (DMF = N,N-di­methyl­formamide) and [Cd(2)Cl(7)](3−) anions. In the cation, the iron(III) atom, located on a special position of [Image: see text] site symmetry, is coordinated by six oxygen atoms from DMF ligands with all Fe—O distances being equal [2.0072 (16) Å]. A slight distortion of the octa­hedral environment of the metal comes from the cis O—Fe—O angles deviating from the ideal value of 90° [86.85 (7) and 93.16 (7)°] whilst all the trans angles are strictly 180°. The central Cl atom of the [Cd(2)Cl(7)](3−) anion is also located on a special position of [Image: see text] site symmetry and bridges two corner sharing, tetra­hedrally coordinated Cd(II) atoms. The two Cd atoms and the central Cl atom are colinear. The two sets of terminal chloride ligands on either side of the dumbbell-like anion are rotated relative to each other by 30°. In the crystal, the cations and anions, stacked one above the other along the c-axis direction, are held in place principally by electrostatic inter­actions. There are also C—H⋯Cl and C—H⋯O inter­actions, but these are rather weak. Of the six crystal structures reported to date for ionic salts of [Fe(DMF)(6)](n+) cations (n = 2, 3), five contain Fe(II) ions. The title compound is the second example of a stable compound containing the [Fe(DMF)(6)](3+) cation. The existence of both [Fe(DMF)(6)](2+) and [Fe(DMF)(6)](3+) cations shows that the DMF ligand coordination sphere can accommodate changes in the charge and spin states of the metal centre.
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spelling pubmed-84915312021-10-18 Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium) Vassilyeva, Olga Yu. Kokozay, Vladimir N. Petrusenko, Svitlana Sobolev, Alexandre N. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Fe(C(3)H(7)NO)(6)][Cd(2)Cl(7)], crystallizes in the trigonal space group R [Image: see text] and is assembled from discrete [Fe(DMF)(6)](3+) cations (DMF = N,N-di­methyl­formamide) and [Cd(2)Cl(7)](3−) anions. In the cation, the iron(III) atom, located on a special position of [Image: see text] site symmetry, is coordinated by six oxygen atoms from DMF ligands with all Fe—O distances being equal [2.0072 (16) Å]. A slight distortion of the octa­hedral environment of the metal comes from the cis O—Fe—O angles deviating from the ideal value of 90° [86.85 (7) and 93.16 (7)°] whilst all the trans angles are strictly 180°. The central Cl atom of the [Cd(2)Cl(7)](3−) anion is also located on a special position of [Image: see text] site symmetry and bridges two corner sharing, tetra­hedrally coordinated Cd(II) atoms. The two Cd atoms and the central Cl atom are colinear. The two sets of terminal chloride ligands on either side of the dumbbell-like anion are rotated relative to each other by 30°. In the crystal, the cations and anions, stacked one above the other along the c-axis direction, are held in place principally by electrostatic inter­actions. There are also C—H⋯Cl and C—H⋯O inter­actions, but these are rather weak. Of the six crystal structures reported to date for ionic salts of [Fe(DMF)(6)](n+) cations (n = 2, 3), five contain Fe(II) ions. The title compound is the second example of a stable compound containing the [Fe(DMF)(6)](3+) cation. The existence of both [Fe(DMF)(6)](2+) and [Fe(DMF)(6)](3+) cations shows that the DMF ligand coordination sphere can accommodate changes in the charge and spin states of the metal centre. International Union of Crystallography 2021-09-21 /pmc/articles/PMC8491531/ /pubmed/34667633 http://dx.doi.org/10.1107/S2056989021009580 Text en © Vassilyeva 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
Vassilyeva, Olga Yu.
Kokozay, Vladimir N.
Petrusenko, Svitlana
Sobolev, Alexandre N.
Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title_full Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title_fullStr Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title_full_unstemmed Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title_short Crystal structure of hexa­kis­(N,N-di­methyl­form­amide-κO)iron(III) μ-chlorido-bis­(tri­chlorido­cadmium)
title_sort crystal structure of hexa­kis­(n,n-di­methyl­form­amide-κo)iron(iii) μ-chlorido-bis­(tri­chlorido­cadmium)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8491531/
https://www.ncbi.nlm.nih.gov/pubmed/34667633
http://dx.doi.org/10.1107/S2056989021009580
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