Information card for entry 4070300

Structure parameters

• Formula: C52 H84 Cl3 Li N3 O4 Sc3
• Calculated formula: C52 H84 Cl3 Li N3 O4 Sc3
• Title of publication: Nucleophilic Degradation of a β-Diketiminato Ancillary by a Transient Scandium Hydride Intermediate
• Authors of publication: Conroy, Korey D.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6228
• a: 14.195 ± 0.001 Å
• b: 14.779 ± 0.003 Å
• c: 27.634 ± 0.004 Å
• α: 90°
• β: 100.489 ± 0.009°
• γ: 90°
• Cell volume: 5700.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0729
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No