Information card for entry 4066245

Structure parameters

• Formula: C46 H70 La2 N4 O4
• Calculated formula: C46 H70 La2 N4 O4
• Title of publication: Formation of a [ONN(allyl)O]−Anion via NO Insertion and Coupling Using Yttrium and Lanthanide Allyl Metallocenes†
• Authors of publication: Casely, Ian J.; Suh, YoungSung; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5209
• a: 9.8457 ± 0.001 Å
• b: 15.6534 ± 0.0016 Å
• c: 15.2266 ± 0.0015 Å
• α: 90°
• β: 102.887 ± 0.0017°
• γ: 90°
• Cell volume: 2287.6 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No