Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride
The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ3-hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(μ-pz*)8(μ3-OH)6(μ2-Cl)2Cl4]·2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]·2CHCl3, where pz* is...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-09-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989020011275 |
| _version_ | 1798031379421724672 |
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| author | Christopher A. Dodds Alan R. Kennedy |
| author_facet | Christopher A. Dodds Alan R. Kennedy |
| author_sort | Christopher A. Dodds |
| collection | DOAJ |
| description | The complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ3-hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(μ-pz*)8(μ3-OH)6(μ2-Cl)2Cl4]·2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]·2CHCl3, where pz* is the 3,5-dimethylpyrazolyl anion, C5H7N2−, and HIXy is the 1,3-bis(2,6-dimethylphenyl)imidazolium cation, C19H21N2+, is generated by a crystallographic centre of symmetry with a square-planar CuII ion bound to four μ3-OH ions lying on the inversion centre. Of the four remaining unique CuII atoms, three adopt CuN2O2Cl square-pyramidal coordination geometries with the chloride ion in the apical position and one has a distorted CuN2OCl tetrahedral geometry. The dianionic nonanuclear core can be described as a 24-membered [CuNN]8 ring that contains a Cu9O6Cl6 core. The cluster features three intramolecular O—H...Cl hydrogen bonds. In the crystal, weak C—H...N and C—H...Cl interactions link the components. Polynuclear paramagnetic clusters of this type are of considerable interest due to their relevance to both the bioinorganic and single-molecule magnets research fields. |
| first_indexed | 2024-04-11T19:56:33Z |
| format | Article |
| id | doaj.art-0831c4415f11491d88b7119348b500d0 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:56:33Z |
| publishDate | 2020-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-0831c4415f11491d88b7119348b500d02022-12-22T04:06:00ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902020-09-017691486149010.1107/S2056989020011275hb7934Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chlorideChristopher A. Dodds0Alan R. Kennedy1Westchem, Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, ScotlandWestchem, Department of Pure & Applied Chemistry, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, ScotlandThe complete nonanuclear cluster in bis[1,3-bis(2,6-dimethylphenyl)imidazolium] di-μ-chlorido-tetrachloridooctakis(μ-3,5-dimethylpyrazolato)hexa-μ3-hydroxido-nonacopper(II) chloroform disolvate, [HIXy]2[Cu9(μ-pz*)8(μ3-OH)6(μ2-Cl)2Cl4]·2CHCl3 or (C19H21N2)2[Cu9(C5H7N2)8Cl6(OH)6]·2CHCl3, where pz* is the 3,5-dimethylpyrazolyl anion, C5H7N2−, and HIXy is the 1,3-bis(2,6-dimethylphenyl)imidazolium cation, C19H21N2+, is generated by a crystallographic centre of symmetry with a square-planar CuII ion bound to four μ3-OH ions lying on the inversion centre. Of the four remaining unique CuII atoms, three adopt CuN2O2Cl square-pyramidal coordination geometries with the chloride ion in the apical position and one has a distorted CuN2OCl tetrahedral geometry. The dianionic nonanuclear core can be described as a 24-membered [CuNN]8 ring that contains a Cu9O6Cl6 core. The cluster features three intramolecular O—H...Cl hydrogen bonds. In the crystal, weak C—H...N and C—H...Cl interactions link the components. Polynuclear paramagnetic clusters of this type are of considerable interest due to their relevance to both the bioinorganic and single-molecule magnets research fields.http://scripts.iucr.org/cgi-bin/paper?S2056989020011275crystal structurecoppern-heterocyclic carbenecluster |
| spellingShingle | Christopher A. Dodds Alan R. Kennedy Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride Acta Crystallographica Section E: Crystallographic Communications crystal structure copper n-heterocyclic carbene cluster |
| title | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
| title_full | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
| title_fullStr | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
| title_full_unstemmed | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
| title_short | Formation of a nonanuclear copper(II) cluster with 3,5-dimethylpyrazolate starting from an NHC complex of copper(I) chloride |
| title_sort | formation of a nonanuclear copper ii cluster with 3 5 dimethylpyrazolate starting from an nhc complex of copper i chloride |
| topic | crystal structure copper n-heterocyclic carbene cluster |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989020011275 |
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