Information card for entry 4068743

Structure parameters

• Formula: C28 H42 N6 Zr
• Calculated formula: C28 H42 N6 Zr
• SMILES: [Zr]1(N(c2c(c3c(N(C)C)cccc3C)c(ccc2)C)Cc2[n]1cccc2)(N(C)C)(N(C)C)N(C)C
• 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: 11.8758 ± 0.0013 Å
• b: 16.0956 ± 0.0015 Å
• c: 15.2689 ± 0.0015 Å
• α: 90°
• β: 102.17 ± 0.004°
• γ: 90°
• Cell volume: 2853 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0562
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No