Information card for entry 4062622

Structure parameters

• Formula: C48 H74 N3 Sc
• Calculated formula: C48 H74 N3 Sc
• SMILES: [Sc@]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)C
• Title of publication: β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives
• Authors of publication: Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Pages of publication: 2087 - 2094
• a: 13.5396 ± 0.0002 Å
• b: 18.1218 ± 0.0002 Å
• c: 18.556 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4552.94 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No