Information card for entry 4123883

Structure parameters

• Formula: F6 H26 K8 Mn Na O69 W17
• Calculated formula: F6 K8 Mn0.999 Na O69 W17.001
• SMILES: [W]1234(O[W]567([F][W]89(O[W]%10%11(O1)([O]4[W]1(O2)(O%11)(O[W]24%11([F][W](O%10)(O2)(=[O][Mn]2%10([O]=[W]%12%13([F][W]%14(O7)(O[W]7%15%16(O[W]%17%18([F][W]%19(O[W]%20([F][W](O3)(O6)(O%17)(=O)O%20)(O1)(O%11)=O)(O[W](F)(O4)(=[O]2)(O[W]1(O%19)(O7)(O[W](O%12)(=[O]%10)([O]%151)(O%16)=O)=O)=O)(O%18)=O)(O%14)=O)=O)(O%13)=O)(O9)=O)[OH2])(=O)O8)=O)=O)=O)(O5)=O)=O)=O.[Na+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.
• Authors of publication: Schreiber, Roy E.; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G.; Zhou, Ang; Que, Jr, Lawrence; Neumann, Ronny
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 27
• Pages of publication: 8738 - 8748
• a: 12.2907 ± 0.0007 Å
• b: 12.8548 ± 0.0007 Å
• c: 29.2936 ± 0.0016 Å
• α: 87.98 ± 0.002°
• β: 90.005 ± 0.002°
• γ: 61.462 ± 0.002°
• Cell volume: 4062.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No