Information card for entry 7023829

Structure parameters

• Formula: K4 Mn3 O51 Si W9
• Calculated formula: K4 Mn3 O51 Si W9
• SMILES: [K+].[OH2][Mn]1234[O]56[W]78(O[W]9%10%11([O]%12%13[W]%14%15(O[W]%16%17%18([O]%19%20[W](O9)(O8)(=[O][Mn]%19([O]=%17)(O[Mn]89([O]%17([Si]5%12%20)[W]5(O[W]%13(O%15)(O[W]6(O7)(=O)(O5)=[O]3)(O%11)=O)(=[O]8)(=O)O[W]%17(O%18)(O%14)(=[O]9)=O)(O4)[OH2])(O2)[OH2])(O%16)=O)=O)(O%10)=O)=O)(=O)=[O]1.[K+].[K+].O.O.O.O.O.O.O.[K+].O.O.O.O
• Title of publication: Synthesis, crystal structure, mass spectrometry, electrochemistry and magnetism of a Mn(III)-substituted trilacunary Keggin tungstosilicate.
• Authors of publication: Shevchenko, Denys; Huang, Ping; Bon, Volodymyr V.; Anderlund, Magnus F.; Kokozay, Vladimir N.; Styring, Stenbjörn; Thapper, Anders
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 5130 - 5139
• a: 12.4191 ± 0.0002 Å
• b: 15.6401 ± 0.0003 Å
• c: 12.5526 ± 0.0002 Å
• α: 90°
• β: 115.74 ± 0.001°
• γ: 90°
• Cell volume: 2196.24 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No