Information card for entry 4106396

Structure parameters

• Formula: C60 H86 Fe2 N4 Sc2 Si4
• Calculated formula: C60 H86 Fe2 N4 Sc2 Si4
• Title of publication: Scandium Arene Inverted-Sandwich Complexes Supported by a Ferrocene Diamide Ligand
• Authors of publication: Wenliang Huang; Saeed I. Khan; Paula L. Diaconescu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10410 - 10413
• a: 12.059 ± 0.002 Å
• b: 12.249 ± 0.002 Å
• c: 24.195 ± 0.004 Å
• α: 77.809 ± 0.002°
• β: 89.552 ± 0.002°
• γ: 62.914 ± 0.002°
• Cell volume: 3094.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No