Information card for entry 7049940

Structure parameters

• Formula: C181 H147 B2 F40 N4 O6 P2 Sc2
• Calculated formula: C181 H147 B2 F40 N4 O6 P2 Sc2
• 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: 17.6536 ± 0.0013 Å
• b: 21.5307 ± 0.0015 Å
• c: 22.7521 ± 0.0016 Å
• α: 90°
• β: 97.834 ± 0.008°
• γ: 90°
• Cell volume: 8567.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.162
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.2522
• Weighted residual factors for all reflections included in the refinement: 0.3062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No