Information card for entry 4069563

Structure parameters

• Formula: C41 H71 N2 Sc Si2
• Calculated formula: C41 H71 N2 Sc Si2
• SMILES: [Sc]1(N(C(=CC(=[N]1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Metalation-Resistant β-Diketiminato Ligands for Thermally Robust Organoscandium Complexes
• Authors of publication: Kenward, Alyson L.; Ross, Jennifer A.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3625
• a: 10.554 ± 0.002 Å
• b: 11.027 ± 0.003 Å
• c: 20.204 ± 0.006 Å
• α: 83.646 ± 0.013°
• β: 88.72 ± 0.014°
• γ: 75.618 ± 0.015°
• Cell volume: 2263.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No