Information card for entry 4338447

Structure parameters

• Formula: H29 K4 Mn3 O50 Si W9
• Calculated formula: K4 Mn3 O52 Si W9
• SMILES: [W]1234(=O)[O]56[W]78(=O)(O1)O[W]15(=O)(O2)O[W]259(O[Mn]%10%11%12(O[W]%13([O]2%10[Si]26[O]6%10[W]%14%15(O[Mn]%10(O[W]6(=O)(O7)(O%14)O%13)([OH2])(O%11)O[Mn]67(O[W]%10([O]26[W](O7)(=O)(O4)(O%15)O%10)(=O)(O1)O9)([OH2])O%12)(=O)O3)(=O)(O8)O5)[OH2])=O.[K+].[K+].[K+].[K+].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: 12.487 ± 0.0004 Å
• b: 15.9408 ± 0.0006 Å
• c: 22.4854 ± 0.0008 Å
• α: 90°
• β: 95.161 ± 0.002°
• γ: 90°
• Cell volume: 4457.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No