Information card for entry 7220532

Structure parameters

• Formula: C6 H34 K2 Na8 O85 P2 Sn2 W18 Zn2
• Calculated formula: C6 H8 K2 Na8 O85 P2 Sn2 W18 Zn2
• SMILES: [W]1234(O[W]567(O[W]89%10([O]%115[W]5(=O)(O[W]%12%13%14(O[W](O[W]%15%16([O]%17[Sn]%18%19%20([O]%21[W]%22(O%15)([O]%15%12[W](O%22)(=[O][Zn]%12%22%23%21[O]%21([Zn]%24%25%17([O]=1)[O]%18%22P1%17[O]%18%22[W]%26%27(O[W]%28%22(O[W]%22%18(=O)(O[W]%18%29%30(O[W]%31(O[W]%32%33([O]%12[Sn]%21(O6)(O9)([O]%25[W]6(O%32)([O]1%18[W](O6)(=[O]%24)(O%30)(O%28)=O)(O%29)=O)CCC([O-])=O)([O]=%17[W](O%26)(=O)(=[O]%23)(O%33)O%31)=O)(O%22)=O)=O)O%27)(O%20)=O)(=O)O%19)P%11%15=[O]2%16)(O%14)(O%10)=O)(O%13)=O)CCC(=O)[O-])(O3)=O)(O5)(=O)O4)=O)(O7)O8)=O)=O)=O.[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Two Keggin sandwich-type tungstophosphates modified by open-chain carboxyethyltin groups and transition metals
• Authors of publication: Zhang, Bai; Zhang, Lan-Cui; Zhang, Yajun; Su, fang; You, wansheng; Zhu, Zaiming
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.2118 ± 0.0017 Å
• b: 12.401 ± 0.002 Å
• c: 15.826 ± 0.002 Å
• α: 96.179 ± 0.003°
• β: 104.324 ± 0.002°
• γ: 119.353 ± 0.002°
• Cell volume: 1948.3 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No