Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
The title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2(η2-Me3SiC2SiMe3)]. Intramolecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a fi...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015021234 |
| _version_ | 1819275656431665152 |
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| author | Lisanne Becker Anke Spannenberg Perdita Arndt Uwe Rosenthal |
| author_facet | Lisanne Becker Anke Spannenberg Perdita Arndt Uwe Rosenthal |
| author_sort | Lisanne Becker |
| collection | DOAJ |
| description | The title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2(η2-Me3SiC2SiMe3)]. Intramolecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetrahedral coordination sphere defined by two pentamethylcyclopentadienyl ligands, by the imino unit of one (1-imino-2-enimino)cyclopentane and by the enimino unit of the second (1-imino-2-enimino)cyclopentane. The cyclopentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent molecule, both being completed by the application of inversion symmetry. One of the pentamethylcyclopentadienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex molecules are packed into rods extending along [100], with the solvent molecules located in between. The rods are arranged in a distorted hexagonal packing. |
| first_indexed | 2024-12-23T23:27:47Z |
| format | Article |
| id | doaj.art-5b9c21bca3874d7ab4a035fe2c3dae44 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-23T23:27:47Z |
| publishDate | 2015-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-5b9c21bca3874d7ab4a035fe2c3dae442022-12-21T17:26:11ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-12-017112m219m22010.1107/S2056989015021234wm5234Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvateLisanne Becker0Anke Spannenberg1Perdita Arndt2Uwe Rosenthal3Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, GermanyLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, GermanyLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, GermanyLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Strasse 29a, 18059 Rostock, GermanyThe title compound, [Zr2(C10H15)4(C6H6N2)2]·C6H14, was obtained by the stoichiometric reaction of adiponitrile with [Zr(C10H15)2(η2-Me3SiC2SiMe3)]. Intramolecular nitrile–nitrile couplings and deprotonation of the substrate produced the (1-imino-2-enimino)cyclopentane ligand, which functions as a five-membered bridge between the two metal atoms. The ZrIV atom exhibits a distorted tetrahedral coordination sphere defined by two pentamethylcyclopentadienyl ligands, by the imino unit of one (1-imino-2-enimino)cyclopentane and by the enimino unit of the second (1-imino-2-enimino)cyclopentane. The cyclopentane ring of the ligand shows an envelope conformation. The asymmetric unit contains one half of the complex and one half of the hexane solvent molecule, both being completed by the application of inversion symmetry. One of the pentamethylcyclopentadienyl ligands is disordered over two sets of sites with a refined occupancy ratio of 0.8111 (3):0.189 (3). In the crystal, the complex molecules are packed into rods extending along [100], with the solvent molecules located in between. The rods are arranged in a distorted hexagonal packing.http://scripts.iucr.org/cgi-bin/paper?S2056989015021234crystal structuredinuclear structurezirconocene1-imino-2-enimino-cyclopentane ligand |
| spellingShingle | Lisanne Becker Anke Spannenberg Perdita Arndt Uwe Rosenthal Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate Acta Crystallographica Section E: Crystallographic Communications crystal structure dinuclear structure zirconocene 1-imino-2-enimino-cyclopentane ligand |
| title | Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
| title_full | Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
| title_fullStr | Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
| title_full_unstemmed | Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
| title_short | Crystal structure of bis{μ2-[(2-iminocyclopentylidene)methylidene]azanido-κ2N:N′}bis[(η5-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate |
| title_sort | crystal structure of bis μ2 2 iminocyclopentylidene methylidene azanido κ2n n bis η5 pentamethylcyclopentadienyl zirconium iv hexane monosolvate |
| topic | crystal structure dinuclear structure zirconocene 1-imino-2-enimino-cyclopentane ligand |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015021234 |
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