Information card for entry 7016353

Structure parameters

• Formula: C63.5 H87 N5 P2 Sc
• Calculated formula: C63.5 H87 N5 P2 Sc
• Title of publication: Isocyanide insertion and cyclization reactions to form indolines using pincer-type complexes of scandium.
• Authors of publication: Wicker, Benjamin F.; Pink, Maren; Mindiola, Daniel J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 9020 - 9025
• a: 11.8793 ± 0.0008 Å
• b: 15.5474 ± 0.001 Å
• c: 18.2839 ± 0.0012 Å
• α: 80.909 ± 0.001°
• β: 78.152 ± 0.001°
• γ: 72.501 ± 0.001°
• Cell volume: 3135.2 ± 0.4 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: 0.1279
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No