Information card for entry 4300194

Structure parameters

• Formula: C18 H83 Na6 O102.5 Sb2 Sn3 W18
• Calculated formula: C18 Na6 O102.5 Sb2 Sn3 W18
• SMILES: [W]1234([O]56[W]78(O[Sn]9%10(c%11ccccc%11)O[W]%11%12([O]%13%14[W]%15(O2)(=O)(O%11)O[W]2%11([O]%16([W]%17%18(O[Sn]%19(c%20ccccc%20)(O[W]%13(O%12)(=O)(O%15)O%17)O[W]%12%13%15([O]%17%20[W]%21%22(=O)(O[W]%17(O%10)(O[W]%10%17([O]%23%24[W]%25(=O)(O%10)(O[W]%10%26([O]%27([W](O%19)(O%15)(=O)(O%26)O[W]%15%27(O[Sn]%19(c%26ccccc%26)(O[W]%16(=O)(O%18)(O%11)O[W]5(O%19)(O1)(=O)O8)O[W]%23(O%17)(=O)(O%25)O%15)(O%10)=O)[Sb]%20%24)(=O)O%22)O%21)(O9)=O)(=O)O%12)O%13)=O)(=O)O2)[Sb]6%14)(=O)O3)(O7)=O)(=O)O4)=O.[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.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Organotin Derivatives of α-[XIIIW9O33]9- (X = As, Sb) Heteropolytungstates. Solution- and Solid-State Characterization of [{(C6H5Sn)2O}2H(α-AsW9O33)2]9- and [(C6H5Sn)3Na3(α-SbW9O33)2]6-
• Authors of publication: Gerta Sazani; Michael H. Dickman; Michael T. Pope
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 939 - 943
• a: 13.7952 ± 0.0001 Å
• b: 22.3133 ± 0.0002 Å
• c: 34.4393 ± 0.0002 Å
• α: 90°
• β: 90.933 ± 0.001°
• γ: 90°
• Cell volume: 10599.6 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No