Information card for entry 7049936

Structure parameters

• Formula: C53 H79 N2 O P Sc Si
• Calculated formula: C53 H79 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: 9.7689 ± 0.0007 Å
• b: 13.2332 ± 0.0009 Å
• c: 21.5 ± 0.0012 Å
• α: 97.719 ± 0.005°
• β: 102.325 ± 0.005°
• γ: 105.93 ± 0.006°
• Cell volume: 2555.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1982
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No