Information card for entry 7025216

Structure parameters

• Formula: C12 H96 K2 Na18 O165 P4 Sn4 W31
• Calculated formula: C12 H16 K2 Na18 O150 P4 Sn4 W31
• SMILES: [W]1234([O]=P56[O]7[W]89%10(O[W]%11%12%13([O]5[W]5(O3)(O[W]3%14%15([O]%16=P%17%18[O]%19%20[W]%21%22%23(O[W]%16(O%14)(O%13)(O[W]%13%14(O%23)([O]%18[W]%16%18(O[W]%23%24([O]%17[W](O1)(=O)(O3)(O%24)O[W]%20(O%21)(O%15)(=O)O[W]%19(O%23)(=O)(O%22)O%16)(O[Sn]13(O2)(O[W]2%15(=O)(=O)O[Sn]%16%17(O[W]%19%20%21([O]=P%22%23[O]%24[W]%25%26(O[W]%27%28%29([O]%22[W](O%20)(O[W]%20%22%30([O]%31=P%32%33[O]%34%35[W]%36%37%38(O[W]%31(O%22)(O%29)(O[W]%22%29(O%38)([O]%33[W]%31(O[W]%33%38([O]%32[W](O%19)(=O)(O%20)(O%38)O[W]%35(O%36)(O%30)(=O)O[W]%34(O%33)(=O)(O%37)O%31)(O%16)=O)(O[Sn]%16(O1)(O[W](O%23)(O%22)(O%28)(=O)O%26)(O%15)OC(=O)CC%16)(=O)O%29)=O)=O)=O)=O)(=O)(O%27)O[W]%24(O9)(O%25)(O%21)=O)=O)(O[W]7(O8)(O4)(O5)=O)=O)=O)(OC(=O)CC%17)O[Sn]1(O[W](O6)(O%13)(O%12)(=O)O%10)(O2)(O%18)OC(=O)CC1)OC(=O)CC3)=O)(=O)O%14)=O)=O)=O)=O)(=O)O%11)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: New tetra(organotin)-decorated boat-like polyoxometalate.
• Authors of publication: Zhang, Lan-Cui; Zheng, Shu-Li; Xue, Han; Zhu, Zai-Ming; You, Wan-Sheng; Li, Yang-Guang; Wang, Enbo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 14
• Pages of publication: 3369 - 3371
• a: 21.393 ± 0.004 Å
• b: 25.702 ± 0.005 Å
• c: 14.846 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8163 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n :2
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No