Information card for entry 4078588

Structure parameters

• Formula: C86 H134 N8 S Y2
• Calculated formula: C86 H134 N8 S Y2
• 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: 19.4796 ± 0.0015 Å
• b: 21.5546 ± 0.0016 Å
• c: 21.3164 ± 0.0016 Å
• α: 90°
• β: 108.925 ± 0.001°
• γ: 90°
• Cell volume: 8466.4 ± 1.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No