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Information card for entry 4123033
Preview
Coordinates | 4123033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H40 Ce2 Cu2 N10 O26 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4123033.html
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