Information card for entry 2014773

Structure parameters

• Chemical name: Poly[diaquahexakis(dimethyl sulfoxide-κO)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]
• Formula: C12 H40 Ce Mo8 Na O34 S6
• Calculated formula: C12 H40 Ce Mo8 Na O34 S6
• SMILES: CS(C)=[O][Ce]([O]=S(C)C)([O]=S(C)C)([OH2])([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[OH2].[Na+].O=[Mo]123(=O)O[Mo]45(=O)(=O)[O]6[Mo]789(=O)O[Mo]%10%11(=O)(=O)O[Mo]%12%13([O]7[Mo]7(=O)(=O)(O3)[O]148[Mo]13(=O)([O]7%12)(O2)[Mo]6(=O)([O]15)(=O)(O%10)[O]9%11%133)(=O)=O
• Title of publication: Poly[diaquahexakis(dimethyl sulfoxide-κ<i>O</i>)cerium [(μ~2~-hexacosaoxooctamolybdate)sodium]]
• Authors of publication: Li-Juan Chen; Can-Zhong Lu; Quan-Zheng Zhang; Shu-Mei Chen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m269 - m271
• a: 22.7811 ± 0.0007 Å
• b: 9.2121 ± 0.0002 Å
• c: 22.8913 ± 0.0006 Å
• α: 90°
• β: 97.829 ± 0.002°
• γ: 90°
• Cell volume: 4759.2 ± 0.2 ų
• Cell temperature: 130.15 ± 0.02 K
• Ambient diffraction temperature: 130.15 ± 0.02 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: 0.0217
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes