Information card for entry 4076960

Structure parameters

• Formula: C40.5 H54 Li N3 O
• Calculated formula: C40.5 H54 Li N3 O
• Title of publication: Reversible Alkylation at the Pyridine Nitrogen in aα,α-Diimine Pyridine Ligand System
• Authors of publication: Khorobkov, Ilia; Gambarotta, Sandro; Yap, Glenn P. A.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 15
• Pages of publication: 3088
• a: 10.8426 ± 0.0014 Å
• b: 18.683 ± 0.003 Å
• c: 18.701 ± 0.003 Å
• α: 90°
• β: 90.784 ± 0.002°
• γ: 90°
• Cell volume: 3787.9 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No