Information card for entry 7047212

Structure parameters

• Formula: C80 H92 Al2 N4 O6
• Calculated formula: C80 H92 Al2 N4 O6
• Title of publication: Low valent Al(ii)-Al(ii) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies.
• Authors of publication: Kazarina, Olga V.; Gourlaouen, Christophe; Karmazin, Lydia; Morozov, Alexander G.; Fedushkin, Igor L.; Dagorne, Samuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13800 - 13808
• a: 20.4001 ± 0.0017 Å
• b: 23.3701 ± 0.0018 Å
• c: 16.1214 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7685.9 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No