Information card for entry 4073953

Structure parameters

• Formula: C29 H41 N5 Ti
• Calculated formula: C29 H41 N5 Ti
• SMILES: [Ti]12(N(C)C)(N(C)C)[n]3c(C(C)(CN1c1cc(C)cc(C)c1)CN2c1cc(C)cc(C)c1)cccc3
• Title of publication: Imido-Alkyne Coupling in Titanium Complexes: New Insights into the Alkyne Hydroamination Reaction
• Authors of publication: Vujkovic, Nadia; Ward, Benjamin D.; Maisse-François, Aline; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5522
• a: 10.637 ± 0.002 Å
• b: 22.176 ± 0.004 Å
• c: 11.572 ± 0.002 Å
• α: 90°
• β: 91.32 ± 0.03°
• γ: 90°
• Cell volume: 2728.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0823
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections: 0.1605
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No