Information card for entry 2209562

Structure parameters

• Chemical name: [η^2^-8-(tert-Butylimino)-1-naphthyl]bis(η^5^-cyclopentadienyl)titanium(IV)
• Formula: C25 H25 N Ti
• Calculated formula: C25 H25 N Ti
• SMILES: [Ti]123456789%10([N](=C2c2c%11c1cccc%11ccc2)C(C)(C)C)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]%101
• Title of publication: [η^2^-8-(<i>tert</i>-Butylimino)-1-naphthyl]bis(η^5^-cyclopentadienyl)titanium(IV)
• Authors of publication: Kooijman, Huub; Leijen, Monique M. van; Akkerman, Otto S.; Bickelhaupt, Friedrich; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m1545 - m1547
• a: 15.0891 ± 0.0012 Å
• b: 8.4475 ± 0.0012 Å
• c: 15.6025 ± 0.0018 Å
• α: 90°
• β: 94.2 ± 0.013°
• γ: 90°
• Cell volume: 1983.4 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.1564
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes