Information card for entry 4080454

Structure parameters

• Formula: C31 H47 N5 Ti
• Calculated formula: C31 H47 N5 Ti
• SMILES: [Ti]1([n]2c(N1c1c(cccc1C(C)C)C(C)C)cccc2c1c(cccc1C)C)(N(C)C)(N(C)C)N(C)C
• Title of publication: 2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes
• Authors of publication: Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1858
• a: 15.386 ± 0.002 Å
• b: 10.9913 ± 0.0014 Å
• c: 18.668 ± 0.002 Å
• α: 90°
• β: 91.647 ± 0.008°
• γ: 90°
• Cell volume: 3155.7 ± 0.7 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: 0.1662
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2248
• Weighted residual factors for all reflections included in the refinement: 0.2825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No