Information card for entry 4066247

Structure parameters

• Formula: C23 H35 N2 O2 Y
• Calculated formula: C23 H35 N2 O2 Y
• SMILES: [Y]123456789(ON(N=[O]1)CC=C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• 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: 29.7025 ± 0.0011 Å
• b: 9.454 ± 0.0003 Å
• c: 16.4829 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4628.5 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No