Information card for entry 4061629

Structure parameters

• Formula: C18 H29 Cl2 O Si Ta
• Calculated formula: C18 H29 Cl2 O Si Ta
• SMILES: [Ta]12345678(Cl)(O)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[cH]1[cH]5[cH]6[c]7([cH]81)[Si](C)(C)C.[Cl-]
• Title of publication: Oxo and hydroxo tantalocene complexes: synthesis and reactivity. X-Ray molecular structures of [(η^5^-Cp*)TaCl(OH)(η^5^-C~5~H~4~SiMe~3~)]^+^Cl^-^, (η^5^-Cp*)Ta=OCl(η^5^-C~5~H~4~SiMe~3~)], [(η^5^-Cp*)TaCl~2~ (η^5^-C~5~H~4~SiMe~3~)]+PF~6~^-^.
• Authors of publication: Goux, Jerome; Le Gendre, Pierre; Richard, Philippe; Claude, Moise
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 20.0697 ± 0.0006 Å
• b: 20.0697 ± 0.0006 Å
• c: 25.8902 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10428.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No