Information card for entry 7710294

Structure parameters

• Formula: C46 H62 La N O
• Calculated formula: C46 H62 La N O
• SMILES: [La]1234([n]5[c]61c(cc(c[c]26[c]13cc(cc([c]451)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)(Cc1ccccc1)[O]1CCCC1
• 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: 10.4113 ± 0.0003 Å
• b: 10.6661 ± 0.0003 Å
• c: 19.7627 ± 0.0006 Å
• α: 88.491 ± 0.001°
• β: 82.519 ± 0.001°
• γ: 68.734 ± 0.001°
• Cell volume: 2027.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0406
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No