Information card for entry 4080453

Structure parameters

• Formula: C29 H43 N5 Ti
• Calculated formula: C29 H43 N5 Ti
• SMILES: [Ti]1([n]2c(N1c1c(cc(cc1C)C)C)cccc2c1c(C)cc(cc1C)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: 10.7276 ± 0.0002 Å
• b: 8.5789 ± 0.0002 Å
• c: 16.3989 ± 0.0004 Å
• α: 90°
• β: 107.04 ± 0.001°
• γ: 90°
• Cell volume: 1442.95 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No