Information card for entry 7048797

Structure parameters

• Formula: C6 H68 K5 Na5 Ni2 O100 Sb2 Sn2 W18
• Calculated formula: C6 H52 K5 Na5 Ni2 O100 Sb2 Sn2 W18
• SMILES: [W]12345O[W]678(O[W]9%10([O]48[Sb]4[O]8%11[W]%12%13(O[W]%148(O[W]8%15(O[W]%16%17(O[W]%18(O[W]%11(=[O][Ni]([O]=%18)([OH2])([OH2])([OH2])[O]=[W]%11%18%19%20O[W]%21%22%23(O[W]%24%25([O]%19%23[Sb]%19[O]%23%26[W]%27(O[W]%28%23(O[W]%23%29(O[W]%30(O[W]%31(O[W]%26(=[O][Ni]([O]=3)([O]=%31)([OH2])([OH2])[OH2])(O%27)(O%28)=O)([O]%19%23%30)(=O)O%29)(O%21)(O[Sn]3(O1)(O%12)(O%18)OC(=O)CC3)=O)(O%22)=O)(=O)O%25)(=O)(O%24)O[Sn]1(O2)(O%17)(OC(=O)CC1)O%11)(O%20)=O)=O)(O%13)(O%14)=O)([O]48%16)(=O)O%15)(O6)=O)(O7)=O)(=O)O%10)(=O)O9)(O5)=O)=O.[K+].[K+].[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[K+].[Na+].[Na+].O.O.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: 12.4828 ± 0.0018 Å
• b: 12.6293 ± 0.0017 Å
• c: 16.44 ± 0.002 Å
• α: 94.595 ± 0.002°
• β: 109.959 ± 0.002°
• γ: 101.665 ± 0.002°
• Cell volume: 2354.3 ± 0.5 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: 0.073
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No