Information card for entry 4338448

Structure parameters

• Formula: C9 H51.5 K3 Mn4 Na4.5 O65 Si W9
• Calculated formula: C6 H9 K4.15 Mn4 Na1.8 O51.75 Si W9
• SMILES: [W]1234([O]56[W]78(O2)(O[W]29%10(O[W]%11%12(O[W]%13%14(=[O][Mn]%15%16%17([O]%18[Mn]%19%20%21([O]=[W]%22(O[W]%23%24%25(O[W]5(O1)(O8)(O[W]1(O%23)([O]%24([Si]6([O]2%19%22)[O]%11%13%15)[Mn]25([O]%20[Mn]%18([O]=C(O%21)C)([O]%165)(OC(=[O]%17)C)OC(=[O]2)C)([O]=%25)[O]=1)(=O)O%14)=O)=O)(O7)(O9)=O)[O]=%10)[O]=%12)(O4)=O)(O3)=O)=O)=O)=O.[K+].[K+].[K+].[K+].[K+].[Na+].[Na+].O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and characterization of multinuclear manganese-containing tungstosilicates.
• Authors of publication: Al-Oweini, Rami; Bassil, Bassem S.; Friedl, Jochen; Kottisch, Veronika; Ibrahim, Masooma; Asano, Marie; Keita, Bineta; Novitchi, Ghenadie; Lan, Yanhua; Powell, Annie; Stimming, Ulrich; Kortz, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5663 - 5673
• a: 42.0007 ± 0.0014 Å
• b: 12.3264 ± 0.0004 Å
• c: 21.4071 ± 0.0009 Å
• α: 90°
• β: 95.847 ± 0.002°
• γ: 90°
• Cell volume: 11025.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No