Information card for entry 4062096

Structure parameters

• Formula: C30 H10 B F15 O2 Ti
• Calculated formula: C30 H10 B F15 O2 Ti
• SMILES: [Ti]123456789([O]=C1[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C#[O])([cH]1[cH]9[cH]4[cH]3[cH]21)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Reactivity of [Cp~2~Ti(CO)~2~] and B(C~6~F~5~)^3^: Formation of the Acylborane Complexes [Cp2Ti(CO)(η^2^-OCB(C~6~F~5~)~3~)] and [Cp~2~Ti(THF)(η^2^-OCB(C~6~F~5~)~3~)]
• Authors of publication: Choukroun, Robert; Lorber, Christian; Lepetit, Christine; Donnadieu, Bruno
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 1995 - 1997
• a: 17.0009 ± 0.001 Å
• b: 10.3704 ± 0.0009 Å
• c: 15.9342 ± 0.001 Å
• α: 90°
• β: 102.085 ± 0.007°
• γ: 90°
• Cell volume: 2747 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No