Information card for entry 4068746

Structure parameters

• Formula: C87.25 H92 N6 O2 Ti
• Calculated formula: C87.25 H92 N6 O2 Ti
• Title of publication: Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization
• Authors of publication: Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1127
• a: 16.1953 ± 0.0015 Å
• b: 10.9013 ± 0.001 Å
• c: 21.0798 ± 0.0019 Å
• α: 90°
• β: 97.104 ± 0.003°
• γ: 90°
• Cell volume: 3693.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No