Information card for entry 7106468

Structure parameters

• Formula: H124 Mo30 N11 Na5 O154 Te10
• Calculated formula: Mo30 N4 Na2 O134 Te10
• SMILES: [Mo]1234(=O)O[Mo]567(=O)O[Mo]89(O1)(=O)O[Mo]1%10%11([O]%129[Mo]9%13(O8)(=O)O[Mo]8%14(O3)([O]34[Mo]4%15(O2)([O]8[Te](O%14)([O]%15)[O]2[Mo]8%14(O[Mo]%15%16(=O)(=O)O[Mo]%17%18%19([O]%15=[Te]%15[O]%14[Mo]2(O8)(=O)(=O)O[Mo]28(=O)(=O)O[Mo]%14%20([O]%152)([O]8[Te]28O[Mo]%15(O6)([O]7([Mo]6(O5)([O]2%15)(=[O][Na]257%15%21[OH2][Na]([O]86)([O]%11[Te]([O]19)([O]%13)[O]%16%17)([O]%14)([O]%18%20)([O]=%19)[O]=[Mo]1689O[Mo]%11%13%14(O[Mo]%16%17%18(=O)O[Mo]%19%20(O%11)(=O)O[Mo]%11%22([O]%23%20[Mo]%20%24(O%19)(=O)O[Mo]%19%25(O%17)([O]%17%18[Mo]%18%26(O%16)([O]%19[Te](O%25)([O]%26)[O]%16[Mo]%19%25(O[Mo]%26%27(=O)(=O)O[Mo]%28([O]%26=[Te]%26[O]%25[Mo]%16(O%19)(=O)(=O)O[Mo]%16%19(=O)(=O)O[Mo]([O]%26%16)([O]%19[Te]%16(O[Mo](O%13)([O]1%14=[Te]%23%17)(O%18)(=O)[O]6%16)[O]29)(O7)(=O)[O]%15%28)([O]%27[Te]([O]%11%20)(O%24)[O]5%22)(=O)O%21)(=O)=O)=O)=O)(O8)=O)=O)O%10)=[Te]%123)(O4)=O)=O)=O)(=O)=O)=O)=O)=O.[NH4+].[NH4+].O.O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].O.O.O.O.O.O.O.O
• Title of publication: Selective conversion of {Mo132} Keplerate ion into 4-electron reduced crown-capped Keggin derivative [Te5Mo15O57]^8-^. A key intermediate to single phase M1 multielement MoVTeO light alkanes oxidation catalyst
• Authors of publication: Romain Canioni; Catherine Marchal-Roch; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulèlle; Jérôme Marrot; Sebastien Paul; Carole Lamonier; Jean-François Paul; Stéphane Loridant; Jean-Marc M. Millet; Emmanuel Cadot
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6413
• a: 23.8349 ± 0.0018 Å
• b: 25.5476 ± 0.0018 Å
• c: 26.003 ± 0.002 Å
• α: 90°
• β: 110.251 ± 0.002°
• γ: 90°
• Cell volume: 14855.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No