Information card for entry 4066244

Structure parameters

• Formula: C46 H70 N4 O4 Y2
• Calculated formula: C46 H70 N4 O4 Y2
• 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: 9.6995 ± 0.0008 Å
• b: 15.6446 ± 0.0014 Å
• c: 15.0044 ± 0.0013 Å
• α: 90°
• β: 104.911 ± 0.001°
• γ: 90°
• Cell volume: 2200.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No