Information card for entry 4061631

Structure parameters

• Formula: C18 H28 Cl2 F6 P Si Ta
• Calculated formula: C18 H28 Cl2 F6 P Si Ta
• SMILES: [Ta]12345678(Cl)(Cl)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[cH]1[cH]5[cH]6[cH]7[c]81[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 8.7871 ± 0.0002 Å
• b: 17.1558 ± 0.0004 Å
• c: 15.606 ± 0.0004 Å
• α: 90°
• β: 98.767 ± 0.001°
• γ: 90°
• Cell volume: 2325.11 ± 0.1 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No