Information card for entry 7710295

Structure parameters

• Formula: C45 H82 N O Sc Si2
• Calculated formula: C45 H82 N O Sc Si2
• Title of publication: π-Carbazolyl supported bis(alkyl) complexes of Sc, Y and La for α-olefin polymerization and hydrogenation
• Authors of publication: Trifonov, Alexander; Selikhov, Alexander N.; Pechenkina, Polina; Cherkasov, Anton; Nelyubina, Yulia V.; Glukhova, Tatyana
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.9924 ± 0.0005 Å
• b: 15.8617 ± 0.0007 Å
• c: 27.3052 ± 0.0012 Å
• α: 90°
• β: 93.099 ± 0.002°
• γ: 90°
• Cell volume: 4753.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No