Information card for entry 4075792

Structure parameters

• Formula: C61 H75 B F15 N2 Sc Si2
• Calculated formula: C61 H75 B F15 N2 Sc Si2
• Title of publication: Synthesis, Structure, and Ion Pair Dynamics of β-Diketiminato-Supported Organoscandium Contact Ion Pairs
• Authors of publication: Hayes, Paul G.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 6
• Pages of publication: 1173
• a: 12.7552 ± 0.0001 Å
• b: 14.0148 ± 0.0002 Å
• c: 19.7212 ± 0.0003 Å
• α: 77.7032 ± 0.0005°
• β: 76.554 ± 0.0005°
• γ: 68.6369 ± 0.0008°
• Cell volume: 3160.99 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No