Information card for entry 7049639

Structure parameters

• Formula: C81 H80 Al Na O2
• Calculated formula: C81 H80 Al Na O2
• SMILES: C[Al]1(C)[O](c2c(cc(cc2C(c2ccccc2)c2ccccc2)C(C)(C)C)C(c2ccccc2)c2ccccc2)[Na][O]1c1c(C(c2ccccc2)c2ccccc2)cc(cc1C(c1ccccc1)c1ccccc1)C(C)(C)C.Cc1ccccc1
• Title of publication: Heterobimetallic aluminate derivatives with bulky phenoxide ligands: a catalyst for selective vinyl polymerization.
• Authors of publication: Palenzuela, Miguel; Muñoz, Mª Teresa; Vega, Juan F.; Gutiérrez-Rodríguez, Ángel; Cuenca, Tomás; Mosquera, Marta E. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6435 - 6444
• a: 10.356 ± 0.005 Å
• b: 31.152 ± 0.015 Å
• c: 21.128 ± 0.01 Å
• α: 90°
• β: 102.94 ± 0.04°
• γ: 90°
• Cell volume: 6643 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.23
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No