Information card for entry 4118981

Structure parameters

• Formula: C44 H64 N3 P2 Sc
• Calculated formula: C44 H64 N3 P2 Sc
• Title of publication: Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions
• Authors of publication: Benjamin F. Wicker; Hongjun Fan; Anne K. Hickey; Marco G. Crestani; Jennifer Scott; Maren Pink; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20081 - 20096
• a: 10.151 ± 0.003 Å
• b: 14.758 ± 0.004 Å
• c: 15.422 ± 0.005 Å
• α: 81.19 ± 0.006°
• β: 70.859 ± 0.004°
• γ: 74.747 ± 0.005°
• Cell volume: 2100.1 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No