Information card for entry 7107278

Structure parameters

• Formula: C82 H155 Ce10 N5 Na O48
• Calculated formula: C82 H155 Ce10 N5 Na O48
• SMILES: [Ce]12345678[O]9[Ce]%10%11%12%13%14([O]%15[Ce]%16%17%18%19%20%21%22[N](CC%15)(CC[O]%16[Ce]%15%16%23%24%25([O]%26[Ce]%27%28%29%30([N](CC%26)(CC[O]%26%29[Ce]%29%319([O]9[Ce]%32%33%34%35%36([N](CC[O]5%33[Ce]5%33%37%38([O]2%32)([O]2[Ce]%32%39%40([N](CC[O]%23%39)(CC2)C)([O]4%18%15)([O]65[Ce]24([N](CC[O]%114)(CC[O]%332)C)([O]7%10%19)([O]%20%32)([O]=C(C(C)C)O%21)OC(=[O]%40)C(C)C)OC(=[O]%22)C(C)C)([O]=C(C(C)C)O%37)[O]%34C(C(C)C)=[O]%38)(CC9)C)([O]1%27%29)([O]%28C(=[O]%36)C(C)C)[O](C(C(C)C)=[O]%35)[Na]12%26([O]=C(C(C)C)[O]%311)[O]=C(C(C)C)[O]%302)([O]=C[O]3%17)([O]=C(C(C)C)O%12)[O]=C(C(C)C)O%14)C)([O]8%16)[O]=C(C(C)C)O%24)[O]C(=[O]%25)C(C)C)C)[O]C(=[O]%13)C(C)C
• Title of publication: Cerium oxide nanoclusters: commensurate with concepts of polyoxometalate chemistry?
• Authors of publication: Iurii L. Malaestean; Arkady Ellern; Svetlana Baca; Paul Kogerler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1499
• a: 30.2744 ± 0.0014 Å
• b: 15.6022 ± 0.0007 Å
• c: 29.3014 ± 0.0014 Å
• α: 90°
• β: 118.854 ± 0.001°
• γ: 90°
• Cell volume: 12122.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No