Information card for entry 7047211

Structure parameters

• Formula: C91 H108 Al2 N4 O4
• Calculated formula: C91 H108 Al2 N4 O4
• 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: 27.939 ± 0.0017 Å
• b: 27.838 ± 0.0016 Å
• c: 23.6342 ± 0.0013 Å
• α: 90°
• β: 101.089 ± 0.004°
• γ: 90°
• Cell volume: 18038.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2097
• Residual factor for significantly intense reflections: 0.1809
• Weighted residual factors for significantly intense reflections: 0.4239
• Weighted residual factors for all reflections included in the refinement: 0.4421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.503
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No