Information card for entry 4321065

Structure parameters

• Formula: K4 Na6 O104 Si2 W18 Zn4
• Calculated formula: K4 Na6 O104 Si2 W18 Zn4
• SMILES: [W]1234([O]56[W]78(O3)(O[W]39%10([O]%11%12[W]%13(O1)(O[W]1%14([O]%15%16[W]%17%18(O1)(O[W]%11(O%13)(O9)([O]1[Zn]9%11%13([O]%19([Zn]%20%21([OH2])([O]=8)[O]=[W]5(O4)(O7)(O[W]%15(O%14)(O%17)(=[O][Zn]457%19[O]%18[Zn]81([OH2])[O]=[W]1%14%15([O]%17%18[W]%19%22(O[W]%23%24%25([O]%26%27[W](O%24)(O%14)(O[W]%26(O%25)(O[W]%14%24([O]%25([W](O%19)(O%23)(O%14)(O[W]%25(O%24)(O[W]%17(O%22)(O%15)(=[O]8)=O)(=[O]%13)=O)=O)[Si]%18%27[O]94)([O]%11%21)=O)([O]%207)=O)(=[O]5)=O)=O)(O1)=O)=O)=O)=O)[Si]6%12%16)[O]=%10)=O)=O)(O2)=O)(O3)=O)=O)=O)=O.[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Sandwich-Type Silicotungstates: Structure and Magnetic Properties of the Dimeric Polyoxoanions [{SiM2W9O34(H2O)}2]12- (M = Mn2+, Cu2+, Zn2+)
• Authors of publication: Ulrich Kortz; Samih Isber; Michael H. Dickman; Didier Ravot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2915 - 2922
• a: 12.2596 ± 0.0014 Å
• b: 13.2555 ± 0.0015 Å
• c: 16.2892 ± 0.0018 Å
• α: 96.431 ± 0.002°
• β: 100.944 ± 0.002°
• γ: 110.404 ± 0.002°
• Cell volume: 2389.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No