Information card for entry 4302173

Structure parameters

• Formula: C48 H67 Fe N2 O4 Y
• Calculated formula: C48 H67 Fe N2 O4 Y
• SMILES: [Y]123([N]([c]45[cH]6[Fe]789%10%11%124([cH]4[c]8([N]1=Cc1c(c(C(C)(C)C)cc(c1)C(C)(C)C)O3)[cH]9[cH]7[cH]%124)[cH]5[cH]%11[cH]6%10)=Cc1cc(C(C)(C)C)cc(c1O2)C(C)(C)C)([O]1CCCC1)OC(C)(C)C
• Title of publication: Cerium(IV) Catalysts for the Ring-Opening Polymerization of Lactide
• Authors of publication: Erin M. Broderick; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4701 - 4706
• a: 19.379 ± 0.003 Å
• b: 10.4326 ± 0.0016 Å
• c: 24.566 ± 0.004 Å
• α: 90°
• β: 110.44 ± 0.002°
• γ: 90°
• Cell volume: 4653.9 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No