Information card for entry 4324756

Structure parameters

• Formula: C76 H86 Ce Fe N6 O4 P2
• Calculated formula: C76 H86 Ce Fe N6 O4 P2
• SMILES: [Ce]123(OC(C)(C)C)(OC(C)(C)C)Oc4c(P(=[N]2N=N[c]25[cH]6[Fe]789%10%11%122([cH]2[cH]%10[cH]9[c]8(N=N[N]3=P(c3c(O1)c(ccc3)C(C)(C)C)(c1ccccc1)c1ccccc1)[cH]72)[cH]5[cH]%11[cH]6%12)(c1ccccc1)c1ccccc1)cccc4C(C)(C)C.Cc1ccccc1.c1(ccccc1)C
• 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: 13.104 ± 0.004 Å
• b: 13.12 ± 0.004 Å
• c: 21.294 ± 0.007 Å
• α: 93.18 ± 0.003°
• β: 103.069 ± 0.003°
• γ: 103.04 ± 0.003°
• Cell volume: 3452.2 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No