Information card for entry 4078587

Structure parameters

• Formula: C46 H64 N4 O P Y
• Calculated formula: C46 H64 N4 O P Y
• SMILES: [Y]123([O]=P(C3)(c3ccccc3)c3ccccc3)([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: C‒P or C‒H Bond Cleavage of Phosphine Oxides Mediated by an Yttrium Hydride
• Authors of publication: Lu, Erli; Chen, Yaofeng; Zhou, Jiliang; Leng, Xuebing
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4574
• a: 11.3048 ± 0.0016 Å
• b: 19.869 ± 0.003 Å
• c: 20.007 ± 0.003 Å
• α: 90°
• β: 102.581 ± 0.002°
• γ: 90°
• Cell volume: 4386 ± 1.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.1225
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No