Information card for entry 7048796

Structure parameters

• Formula: C6 H64 K2 Na8 O98 Sb2 Sn2 W18 Zn2
• Calculated formula: C6 H60 K2 Na8 O98 Sb2 Sn2 W18 Zn2
• SMILES: [W]12345O[Sn]678(O[W]9%10%11(O[W]%12%13%14(O[W]%15%16%17([O]%18%19[W]%20%21(O[W]%18(O[W]%18(O[W]%22(O1)([O]4%18[Sb]%19[O]9%13[W](O%12)(O%22)(=O)(O%11)O%21)(O%10)=O)(O%20)(O5)=O)(O[Sn]14(O2)(OC(=O)CC1)O[W]12(O[W]59%10(O[W]%11%12(O[W]%13%18%19(O[W]%20(O%11)([O]%11%13[W]%13(O[W]%21%22(O[W]%23([O]%22([W](O%21)(O9)(=O)(O%23)O%19)[Sb]%11[O]15%12)(O%10)(O4)=O)(=O)=[O][Zn]([O]=3)([O]=%13)([OH2])([OH2])[OH2])(=O)(O%18)O%20)(O7)=O)=O)(O2)=O)=O)(O6)=[O][Zn]([O]=%15)([O]=%14)([OH2])([OH2])[OH2])(O%17)=O)(=O)O%16)=O)=O)=O)OC(=O)CC8.[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Carboxyethyltin and transition metal co-functionalized tungstoantimonates composited with polypyrrole for enhanced electrocatalytic methanol oxidation.
• Authors of publication: Wang, Hai-Dan; Wang, Xing-Fang; Su, Fang; Li, Jian-Sheng; Zhang, Lan-Cui; Sang, Xiao-Jing; Zhu, Zai-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 2977 - 2987
• a: 12.4709 ± 0.0019 Å
• b: 12.6542 ± 0.0018 Å
• c: 16.428 ± 0.002 Å
• α: 94.899 ± 0.002°
• β: 109.885 ± 0.003°
• γ: 101.197 ± 0.003°
• Cell volume: 2359.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.0955
• Weighted residual factors for significantly intense reflections: 0.3367
• Weighted residual factors for all reflections included in the refinement: 0.3894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No