Information card for entry 4072465

Structure parameters

• Formula: C54 H90 F11 N6 P Ti3
• Calculated formula: C54 H90 F11 N6 P Ti3
• SMILES: [Ti]123([F][Ti]45([F][Ti]([F]24)([F]35)([F]1)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Alkylation, Cation Formation, and Insertion Reactions in Titanium Tris(ketimide) Complexes
• Authors of publication: Ferreira, M. João; Matos, Inês; Ascenso, José R.; Duarte, M. Teresa; Marques, M. Mercês; Wilson, Claire; Martins, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 119
• a: 12.486 ± 0.005 Å
• b: 13.689 ± 0.005 Å
• c: 39.421 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.643 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6731 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2153
• Weighted residual factors for all reflections included in the refinement: 0.2476
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No