Information card for entry 4324755

Structure parameters

• Formula: C70 H86 Ce Fe N2 O6 P2
• Calculated formula: C70 H86 Ce Fe N2 O6 P2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]8[cH]7[cH]23)[N]2[Ce]3([N]1=P(c1c(O3)c(ccc1)C(C)(C)C)(c1ccccc1)c1ccccc1)(OC(C)(C)C)(OC(C)(C)C)Oc1c(cccc1C(C)(C)C)P=2(c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1
• Title of publication: Synthesis and Characterization of Cerium and Yttrium Alkoxide Complexes Supported by Ferrocene-Based Chelating Ligands
• Authors of publication: Erin M. Broderick; Peter S. Thuy-Boun; Neng Guo; Carola S. Vogel; Jörg Sutter; Jeffrey T. Miller; Karsten Meyer; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2870 - 2877
• a: 28.326 ± 0.003 Å
• b: 14.7583 ± 0.0014 Å
• c: 16.8906 ± 0.0016 Å
• α: 90°
• β: 114.249 ± 0.001°
• γ: 90°
• Cell volume: 6438 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No