Information card for entry 4302172

Structure parameters

• Formula: C48 H68 Ce Fe N2 O4
• Calculated formula: C48 H68 Ce Fe N2 O4
• SMILES: [Ce]123([N]([c]45[cH]6[Fe]789%10%11%124([cH]5[cH]7[cH]68)[c]4([cH]9[cH]%10[cH]%11[cH]%124)[N]1=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)=Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)(OC(C)(C)C)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: 10.261 ± 0.004 Å
• b: 25.833 ± 0.011 Å
• c: 35.119 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9309 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No