Information card for entry 4085789

Structure parameters

• Common name: (PNP-Cy)ScNp2
• Formula: C30 H54 N0.75 P1.5 Sc0.75
• Calculated formula: C30 H54 N0.75 P1.5 Sc0.75
• 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: 13.9103 ± 0.0004 Å
• b: 15.532 ± 0.0004 Å
• c: 55.3947 ± 0.0014 Å
• α: 90°
• β: 95.279 ± 0.002°
• γ: 90°
• Cell volume: 11917.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No