Information card for entry 7048795

Structure parameters

• Formula: C6 H57 Mn2 Na9 O94 Sb2 Sn2 W18
• Calculated formula: C6 H32 Mn2 Na9 O94 Sb2 Sn2 W18
• SMILES: [O]1=[W]2345=[O][Mn]6([O]=[W]789(O[W]%10%11([O]%12%13[W]%14%15(O[W]%16%12(O[W]%12%17(O%14)([O]%14%18[W]%19%20%21([O]=[Sn]%22(CCC(=O)O%22)([O]=3)([O]=%16)[O]=[W]3%16%22([O]%23%24[W]%25%26(O[W]%27%23(O[W]%23%28([O]%29%30[W]%31(O[W]%29(O[W]%29(=O)(O[W](=O)(O4)(O%25)([O]5%29[Sb]%24%30)O3)(O2)O%31)(O%23)(=[O][Sn]21(CCC(=O)O2)([O]=%19)[O]=[W]12([O]8([W](O7)(O[W]%14(=O)(O%20)(O1)O%12)(O%15)(=O)O2)[Sb]%13%18)(O9)=O)=O)(O%26)(=O)O%28)(=[O][Mn]([O]=%27)([OH2])([O]=%21)([OH2])[OH2])=O)(O%16)=O)(=O)O%22)=O)O%17)=O)(O%10)=O)(=O)O%11)(=[O]6)=O)=O)([OH2])([OH2])[OH2].[Na+].O.O.[Na+].O.O.O.[Na+].O.O.O.[Na+].[Na+].O.O.[Na+].O.O.[Na+].O.O.O.O.[Na+].[Na+].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: 12.621 ± 0.003 Å
• b: 12.751 ± 0.002 Å
• c: 16.797 ± 0.003 Å
• α: 93.553 ± 0.003°
• β: 110.782 ± 0.003°
• γ: 99.534 ± 0.003°
• Cell volume: 2470.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No