Information card for entry 4305147

Structure parameters

• Formula: Ce2 Cl K5 Na2 O67 W15
• Calculated formula: Ce2 Cl K5 Na2 O67 W15
• SMILES: [W]1234([O]5[Ce]6789([O]%10[W]%11%12%13(=O)[O]%14[W]%15%16(O[W]%17%14(=O)(=O)O[W]%14%10(=O)(=O)[O]%17[W]%10%17%18([O]%16[Ce]%16%19%20%21(Cl)[O]6%13[W]6(O%11)([O]%11[W]5(O%12)(=O)(=O)O[W]5%11(=O)([O]3[W]([O]%196)(O5)(=O)(=O)O[W]3([O]19%20)(O4)([O]1[W]4([O]8[W]([O]7%10%16)(O%17)(=O)([O]5[W]1(=O)(O[W]5([O]%213)(O%18)(=O)=O)(O4)=O)O%14)(=O)(O2)=O)=O)=O)(=O)O%15)=O)(=O)=O)[OH2])=O.[K+].[Na+].[K+].[Na+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Pentadecatungstate with Dinuclear Cerium(III) Unit: Synthesis, Crystal Structure and Properties
• Authors of publication: Taohai Li; Feng Li; Jian Lü; Zhengang Guo; Shuiying Gao; Rong Cao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5612 - 5615
• a: 13.3045 ± 0.0018 Å
• b: 19.803 ± 0.003 Å
• c: 25.261 ± 0.004 Å
• α: 90°
• β: 95.746 ± 0.009°
• γ: 90°
• Cell volume: 6622.1 ± 1.7 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: 0.0907
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No