Information card for entry 4123033

Structure parameters

• Formula: C38 H40 Ce2 Cu2 N10 O26
• Calculated formula: C38 H40 Ce2 Cu2 N10 O26
• SMILES: [Ce]12345678([O](C)c9c%10[O]6[Cu]6%11([N](=Cc%12c(c(ccc%12)[O]7C)[O]5%11)CCC[N]6=Cc%10ccc9)[O]=N5[O]4[Ce]4679%10%11([O]2=N(=[O]3)O[Cu]23%12[N](=Cc%13c(c(ccc%13)[O]9C)[O]63)CCC[N]2=Cc2c([O]7%12)c([O]%10C)ccc2)(ON(=O)=[O]%11)(ON(=O)=[O]4)[O]=5)(ON(=[O]1)=O)ON(=O)=[O]8
• Title of publication: Structure, Bonding, and Catalytic Activity of Monodisperse, Transition-Metal-Substituted CeO2 Nanoparticles.
• Authors of publication: Elias, Joseph S.; Risch, Marcel; Giordano, Livia; Mansour, Azzam N.; Shao-Horn, Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141126140831004
• a: 9.3373 ± 0.0009 Å
• b: 11.5258 ± 0.0011 Å
• c: 13.0679 ± 0.0013 Å
• α: 67.652 ± 0.002°
• β: 71.758 ± 0.002°
• γ: 70.559 ± 0.002°
• Cell volume: 1198.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0166
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No