Information card for entry 4123881

Structure parameters

• Formula: F12 K18 Mn2 Na2 O150 W34
• Calculated formula: F12 K18 Mn2 Na2 O150 W34
• SMILES: [W]1234(=O)[O]5[W]67(O1)(=O)O[W]15(O[W]589([F][W]%10%11(=[O][Mn]%12%13%14%15[F][W]%16%17(O[W]%18%19%20([F][W]%21%22(=O)(O[W]%23%24%25(=O)[O]%26[W](=O)(O[W]%26(O%18)(=O)(O%25)O%16)(O%23)(=[O]%12)O[W]%12%16([F][W](=O)(O%24)(O%12)(O%21)O[W]%12%18%21([F][W]%23(=O)(O[W]%24%25(=[O]%14)([F][W]%14(O[W]%26%27(=O)(O[W]%28%29(=O)(O[W]%30(=O)(O%12)(O[W](=O)(O%21)(O%26)(O%22)[F]%27)[O]%29[W](O%28)(=O)(O%30)(O%24)O%23)O%14)O%20)(=O)(O%25)O%17)=[O][Mn]%12%14%17([O]=[W]%20(=O)(O[W]%21%22%23(=O)O[W]%24%25%26(=O)[O]%21[W](=O)(O%22)(O%24)(=[O]%14)O[W]%14%21([F][W]%22(=O)(O%25)(O%14)O[W]%14%24([F][W](=O)(O%23)(O%14)(O%20)O[W]%14([F][W](=O)(O7)(O[W]7([F][W](O3)(=O)(O%10)(O7)O%21)(=O)(O6)O%22)(O%14)O%24)(=O)(O1)O9)(=O)O%26)(=O)=[O]%17)(O8)[F]%12)[O]=%11)(O%18)O%16)=O)(=O)=[O]%13)O%19)=O)(=O)=[O]%15)(O2)O5)=O)(=O)O4.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
• 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: 43.248 ± 0.009 Å
• b: 12.198 ± 0.002 Å
• c: 29.37 ± 0.006 Å
• α: 90°
• β: 101.13 ± 0.03°
• γ: 90°
• Cell volume: 15202 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0861
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1555
• 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: Yes
• Has Fobs: No