Information card for entry 4062097

Structure parameters

• Formula: C33 H18 B F15 O2 Ti
• Calculated formula: C33 H18 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)([O]1CCCC1)([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: 9.1752 ± 0.0006 Å
• b: 21.0776 ± 0.001 Å
• c: 15.6338 ± 0.0008 Å
• α: 90°
• β: 93.386 ± 0.005°
• γ: 90°
• Cell volume: 3018.2 ± 1 ų
• Cell temperature: 293 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No