Information card for entry 7704228

Structure parameters

• Formula: C42 H68 Al Cl N2 O4
• Calculated formula: C42 H68 Al Cl N2 O4
• SMILES: Cl[Al]12(Oc3c(C[N]41C[C@H](O[C@@H](C)C4)C)cc(cc3C(C)(C)C)C(C)(C)C)Oc1c(C[N]32C[C@H](O[C@@H](C)C3)C)cc(cc1C(C)(C)C)C(C)(C)C
• 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: 11.4893 ± 0.0003 Å
• b: 13.7084 ± 0.0004 Å
• c: 15.1276 ± 0.0003 Å
• α: 111.101 ± 0.002°
• β: 105.252 ± 0.002°
• γ: 93.044 ± 0.002°
• Cell volume: 2115.43 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No