Information card for entry 4077333

Structure parameters

• Formula: C28 H46 N4 Si2 Ti
• Calculated formula: C28 H46 N4 Si2 Ti
• Title of publication: C−N Coupling Reactions of Allenes and Methylacetylenes with an Imidotitanium Complex
• Authors of publication: Trösch, Dominique J. M.; Collier, Philip E.; Bashall, Alan; Gade, Lutz H.; McPartlin, Mary; Mountford, Philip; Radojevic, Sanja
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 15
• Pages of publication: 3308
• a: 21.06 ± 0.005 Å
• b: 10.25 ± 0.004 Å
• c: 30.243 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6528 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2633
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No