Information card for entry 7042389

Structure parameters

• Formula: C66 H80 O4 P Sc
• Calculated formula: C66 H80 O4 P Sc
• Title of publication: Frustrated Lewis pair behavior of a neutral scandium complex.
• Authors of publication: Chang, Kejian; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4514 - 4517
• a: 14.691 ± 0.003 Å
• b: 13.722 ± 0.003 Å
• c: 30.36 ± 0.006 Å
• α: 90°
• β: 100.67 ± 0.03°
• γ: 90°
• Cell volume: 6014 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1536
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.242
• 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