Information card for entry 7049937

Structure parameters

• Formula: C57 H78 N2 O P Sc Si
• Calculated formula: C57 H78 N2 O P Sc Si
• Title of publication: Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.
• Authors of publication: Yao, Tu; Xu, Pengfei; Xu, Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 22
• Pages of publication: 7743 - 7754
• a: 11.2604 ± 0.0008 Å
• b: 13.4439 ± 0.0009 Å
• c: 19.4751 ± 0.0008 Å
• α: 97.121 ± 0.004°
• β: 104.788 ± 0.005°
• γ: 102.167 ± 0.006°
• Cell volume: 2736.8 ± 0.3 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 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: 0.1744
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No