Information card for entry 4135020

Structure parameters

• Formula: C38.5 H73 Al N P2 Sc Si2
• Calculated formula: C38.5 H73 Al N P2 Sc Si2
• Title of publication: Tebbe-like and Phosphonioalkylidene and -alkylidyne Complexes of Scandium.
• Authors of publication: Zatsepin, Pavel; Lee, Eunji; Gu, Jun; Gau, Michael R.; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 13.9734 ± 0.0008 Å
• b: 17.3183 ± 0.0009 Å
• c: 21.9354 ± 0.0011 Å
• α: 67.158 ± 0.002°
• β: 77.272 ± 0.003°
• γ: 68.459 ± 0.002°
• Cell volume: 4531.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No