Information card for entry 4085792

Structure parameters

• Common name: (PNP-Cy)Sc(C#CCHMe2)2
• Formula: C44.75 H69.25 N P2 Sc
• Calculated formula: C44.75 H70.25 N P2 Sc
• Title of publication: C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes
• Authors of publication: Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 4647
• a: 14.024 ± 0.0005 Å
• b: 17.1492 ± 0.0005 Å
• c: 20.2172 ± 0.0007 Å
• α: 73.2353 ± 0.0015°
• β: 84.4873 ± 0.0018°
• γ: 67.113 ± 0.0014°
• Cell volume: 4288.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No