Information card for entry 7111622

Structure parameters

• Formula: C41 H63 N4 Sc
• Calculated formula: C40.7 H62.1 N4 Sc
• Title of publication: A scandium terminal imido complex: synthesis, structure and DFT studies
• Authors of publication: Lu, Erli; Li, Yuxue; Chen, Yaofeng
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 4469 - 4471
• a: 16.543 ± 0.003 Å
• b: 15.79 ± 0.003 Å
• c: 15.938 ± 0.003 Å
• α: 90°
• β: 100.323 ± 0.003°
• γ: 90°
• Cell volume: 4095.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No