Information card for entry 7715015

Structure parameters

• Formula: C48 H40 N8 O44 Si W12 Zn2
• Calculated formula: C48 H36 N8 O44 Si W12 Zn2
• SMILES: [W]1234([O]56[W]78(=[O][Zn]9%10([OH2])([n]%11cccc%12ccc%13c([n]9ccc%13)c%11%12)[n]9cccc%11ccc%12c([n]%10ccc%12)c9%11)(O[W]95(O[W]5%10%11(O[W]%12%13%14(O[W]%15%16([O]%17%10[W](O2)(O5)(O%15)(=[O][Zn]25([OH2])([n]%10c%15c%18[n]5cccc%18ccc%15ccc%10)[n]5cccc%10c5c5[n]2cccc5cc%10)O[W]25([O]%10%15[W]%18(O[W]%10(O7)(O5)(O[W]5([O]%12([W](O9)(O%13)(O8)(=O)O5)[Si]6%17%15)(O%18)(=O)O%14)=O)(O%16)(O2)=O)(O1)=O)(O%11)=O)=O)=O)(O3)=O)O4)=O.O.O
• Title of publication: Six polyoxotungstate-based transition metal compounds for electrochemical capacitor application and a comparative analysis of factors affecting capacitances.
• Authors of publication: Peng, Cai-Hong; Li, Guanghua; Li, Ke-Chang; Cui, Xiao-Bing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3499 - 3510
• a: 12.237 ± 0.0009 Å
• b: 14.0325 ± 0.001 Å
• c: 22.9061 ± 0.0015 Å
• α: 83.241 ± 0.002°
• β: 84.184 ± 0.002°
• γ: 65.508 ± 0.002°
• Cell volume: 3548.5 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No