Information card for entry 4338446

Structure parameters

• Formula: C9 H53.5 K3 Mn4 Na4.5 O66 Si W9
• Calculated formula: C6 H9 K2.5 Mn4 Na3.5 O55.5 Si W9
• SMILES: [Si]123[O]45[W]678(=O)=[O][Mn]9%10%115[O]=[W]54(=O)(O[W]4%12%13(=[O][Mn]%14%15%16%17[O]=[W]%18(=O)([O]34%14)(O%13)O[W]34%13(=O)[O]%141[W](=O)(O%12)(O3)(O[W]%14(=O)(O4)(O[W]13([O]42[W](=O)(=[O][Mn]2%124([O]=1)[O]=C(O[Mn]([O]92)([O]=C(O%10)C)([O]%16%12)(OC(=[O]%15)C)[O]%11%17)C)(O%13)(O%18)O3)(=O)O6)O8)O5)=O)O7.[K+].[K+].[K+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.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: 12.1739 ± 0.0011 Å
• b: 13.1095 ± 0.0011 Å
• c: 18.4657 ± 0.0017 Å
• α: 81.702 ± 0.005°
• β: 87.042 ± 0.005°
• γ: 78.853 ± 0.005°
• Cell volume: 2860.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1632
• 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: No
• Has Fobs: No