Information card for entry 4135022

Structure parameters

• Formula: C36 H67 Al N P2 Sc Si2
• Calculated formula: C36 H67 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: 10.952 ± 0.0006 Å
• b: 14.0978 ± 0.0008 Å
• c: 27.7873 ± 0.0015 Å
• α: 90°
• β: 100.03 ± 0.002°
• γ: 90°
• Cell volume: 4224.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No