Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV)
The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIV atom is coordinated by two pentamethylcycl...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-02-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015000092 |
| _version_ | 1818870558121525248 |
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| author | Perdita Arndt Kathleen Schubert Vladimir V. Burlakov Anke Spannenberg Uwe Rosenthal |
| author_facet | Perdita Arndt Kathleen Schubert Vladimir V. Burlakov Anke Spannenberg Uwe Rosenthal |
| author_sort | Perdita Arndt |
| collection | DOAJ |
| description | The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIV atom is coordinated by two pentamethylcyclopentadienyl and two n-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—Cbutyl bond lengths differ from each other by no more than 0.039 (3) Å. |
| first_indexed | 2024-12-19T12:08:56Z |
| format | Article |
| id | doaj.art-a5a5cb8e5616473da894e13cf39fb7f7 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-19T12:08:56Z |
| publishDate | 2015-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-a5a5cb8e5616473da894e13cf39fb7f72022-12-21T20:22:16ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-02-01712m19m2010.1107/S2056989015000092yk2105Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV)Perdita Arndt0Kathleen Schubert1Vladimir V. Burlakov2Anke Spannenberg3Uwe Rosenthal4Leibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, GermanyLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, GermanyA. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Vavilov St 28, 119991, Moscow, Russian FederationLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, GermanyLeibniz-Institut für Katalyse e. V. an der Universität Rostock, Albert-Einstein-Str. 29a, 18059 Rostock, GermanyThe crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent molecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIV atom is coordinated by two pentamethylcyclopentadienyl and two n-butyl ligands in a distorted tetrahedral geometry, with the cyclopentadienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis(η5-pentamethylcyclopentadienyl)zirconium(IV) complex with a noticeable difference in the Zr–butyl bonding, the Hf—Cbutyl bond lengths differ from each other by no more than 0.039 (3) Å.http://scripts.iucr.org/cgi-bin/paper?S2056989015000092crystal structurehafnocenen-butylracemic twin |
| spellingShingle | Perdita Arndt Kathleen Schubert Vladimir V. Burlakov Anke Spannenberg Uwe Rosenthal Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) Acta Crystallographica Section E: Crystallographic Communications crystal structure hafnocene n-butyl racemic twin |
| title | Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) |
| title_full | Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) |
| title_fullStr | Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) |
| title_full_unstemmed | Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) |
| title_short | Crystal structure of di-n-butylbis(η5-pentamethylcyclopentadienyl)hafnium(IV) |
| title_sort | crystal structure of di n butylbis η5 pentamethylcyclopentadienyl hafnium iv |
| topic | crystal structure hafnocene n-butyl racemic twin |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015000092 |
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