Information card for entry 4131433

Structure parameters

• Chemical name: {MeC(NC6H3iPrCH(Me)CH2)CHC(Me)(NCH2CH2NMe}Sc{NHB(NDippCH)2}
• Formula: C47 H70 B N6 Sc
• Calculated formula: C47 H70 B N6 Sc
• Title of publication: New Scandium Borylimido Chemistry: Synthesis, Bonding, and Reactivity.
• Authors of publication: Clough, Benjamin A.; Mellino, Simona; Clot, Eric; Mountford, Philip
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 32
• Pages of publication: 11165 - 11183
• a: 24.865 ± 0.0007 Å
• b: 43.9807 ± 0.0009 Å
• c: 11.0806 ± 0.0003 Å
• α: 90°
• β: 122.244 ± 0.004°
• γ: 90°
• Cell volume: 10248.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No