Information card for entry 7108347

Structure parameters

• Formula: C89 H78 Mg3 N16 O6
• Calculated formula: C89 H78 Mg3 N16 O6
• Title of publication: Trimetallic magnesium complexes bearing amine-bis(benzotriazole phenolate) derivatives as bifunctional catalysts for ring-opening polymerization and CO2/epoxide coupling
• Authors of publication: Chen-Yu Li; Chen-Ruei Wu; Yi-Chang Liu; Bao-Tsan Ko
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9628
• a: 14.4831 ± 0.0003 Å
• b: 17.4925 ± 0.0003 Å
• c: 17.6584 ± 0.0003 Å
• α: 93.05 ± 0.001°
• β: 109.121 ± 0.001°
• γ: 105.899 ± 0.001°
• Cell volume: 4014.56 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No