Information card for entry 4077227

Structure parameters

• Formula: C31 H33 N2 Ti
• Calculated formula: C31 H33 N2 Ti
• SMILES: [Ti]123456789%10([CH](=[CH]1C2)c1ccccc1)([cH]1[c]3([cH]4[c]25cccc[c]612)N(C)C)[cH]1[c]%10([cH]7[c]28[c]91cccc2)N(C)C
• Title of publication: Crystallographic Investigation of Substituted Allyl and Titanacyclobutane Complexes of Bis(2-N,N-dialkylaminoindenyl)titanium. Structure and Reactivity as a Function of the Dialkylamino Substituents
• Authors of publication: Greidanus, Grace; McDonald, Robert; Stryker, Jeffrey M.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 2492
• a: 9.8686 ± 0.0015 Å
• b: 18.51 ± 0.003 Å
• c: 27.427 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5010 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2104
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No