Information card for entry 4073538

Structure parameters

• Formula: C65 H71 B2 F20 N2 Sc
• Calculated formula: C65 H71 B2 F20 N2 Sc
• Title of publication: Accelerated Ligand Metalation in a β-Diketiminato Scandium Dimethyl Complex Activated with Bis(pentafluorophenyl)borane
• Authors of publication: Conroy, Korey D.; Hayes, Paul G.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4464
• a: 13.4712 ± 0.0001 Å
• b: 18.581 ± 0.0002 Å
• c: 26.1801 ± 0.0002 Å
• α: 90°
• β: 90.899 ± 0.001°
• γ: 90°
• Cell volume: 6552.29 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No