Information card for entry 7108348

Structure parameters

• Formula: C172 H180 Mg6 N32 O13
• Calculated formula: C172 H180 Mg6 N32 O13
• 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: 12.861 ± 0.0002 Å
• b: 22.5964 ± 0.0005 Å
• c: 29.0187 ± 0.0006 Å
• α: 90°
• β: 106.333 ± 0.001°
• γ: 90°
• Cell volume: 8092.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2369
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No