Information card for entry 7704229

Structure parameters

• Formula: C48 H70 Al Cl N2 O2
• Calculated formula: C48 H70 Al Cl N2 O2
• SMILES: Cl[Al]123Oc4c(C[N]3(Cc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)CC[N]2(C)C)cc(cc4C(C)(C)C)C(C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Copolymerization of CHO/CO₂ catalyzed by a series of aluminum amino-phenolate complexes and insights into structure-activity relationships.
• Authors of publication: Plommer, Hart; Stein, Laura; Murphy, Jennifer N.; Ikpo, Nduka; Mora-Diez, Nelaine; Kerton, Francesca M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6884 - 6895
• a: 13.1378 ± 0.0004 Å
• b: 24.9763 ± 0.0006 Å
• c: 14.4263 ± 0.0004 Å
• α: 90°
• β: 110.413 ± 0.003°
• γ: 90°
• Cell volume: 4436.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.1157
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No