Information card for entry 4106395

Structure parameters

• Formula: C70 H110 Fe2 N8 Sc2 Si4
• Calculated formula: C70 H110 Fe2 N8 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: 16.272 ± 0.003 Å
• b: 16.272 ± 0.003 Å
• c: 28.578 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7567 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No