Information card for entry 4077332

Structure parameters

• Formula: C23 H44 N4 Si2 Ti
• Calculated formula: C23 H44 N4 Si2 Ti
• SMILES: [Ti]123([n]4c(C(CN2[Si](C)(C)C)(CN1[Si](C)(C)C)C)cccc4)N(C(=C\C)\C3)C(C)(C)C
• 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: 28.721 ± 0.007 Å
• b: 10.45 ± 0.002 Å
• c: 18.866 ± 0.004 Å
• α: 90°
• β: 100.5 ± 0.02°
• γ: 90°
• Cell volume: 5568 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No