Information card for entry 7708372

Structure parameters

• Formula: C68 H94 Al O6 Y
• Calculated formula: C68 H94 Al O6 Y
• SMILES: [Y]123(Oc4c(cc(cc4C(C)(C)C)C)Cc4c([O]2[Al]([O]3c2c(Cc3cc(cc(c3O1)C(C)(C)C)C)cc(cc2C(C)(C)C)C)(C)C)c(C(C)(C)C)cc(c4)C)([O]1CCCC1)[O]1CCCC1.c1ccccc1.c1ccccc1
• Title of publication: New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide
• Authors of publication: Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 9.845 ± 0.002 Å
• b: 19.536 ± 0.004 Å
• c: 32.429 ± 0.007 Å
• α: 90°
• β: 94.32 ± 0.03°
• γ: 90°
• Cell volume: 6219 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.2733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No