Information card for entry 4305258

Structure parameters

• Formula: H84 Mo22 N10 O100 P2 Th
• Calculated formula: Mo22 N10 O100 P2 Th
• SMILES: [NH4+].[NH4+].[NH4+].[NH4+].O.[NH4+].O.[Mo]1234(=O)O[Mo]567(=O)O[Mo]89%10(O[Mo]%11%12%13(O[Mo]%14%15%16(=[O][Th]%17%18%19%20([O]=2)([O]=[Mo]2%21%22(O[Mo]%23%24%25(O[Mo]%26%27(O%20)(=O)[O]%20%23P%23%28=[O]2[Mo]2(=[O]%17)(O[Mo]%17%29%30(O[Mo]%31(O[Mo]%32(O[Mo]%20(O[Mo]%20%33(O[Mo]%34(=[O]%18)(O[Mo](O%17)(O2)(=O)([O]%23%20%34)O%33)(O%27)=O)(O%32)=O)(=O)(O%24)O%26)(=O)(O%29)[O]%28%30%31)(=O)(O%21)O%25)=O)(=O)O%22)=O)=O)O=[Mo](=O)(O1)(O8)(O%11)[O]4=P12[O]48[Mo]%11(O3)(O[Mo]4(=[O]%19)(=O)(O[Mo]38(O[Mo](O%14)(O[Mo](O3)(=O)(O5)(O9)[O]6%102)([O]%12%161)(O%13)=O)(=O)O%11)O%15)(=O)O7)=O)=O)=O.O.O.O.O.O.O.O.O.O.[NH4+].[NH4+].[NH4+].[NH4+].O.[NH4+].O.O.O.O.O.O.O.O.O.O
• Title of publication: Tetravalent Metal Complexation by Keggin and Lacunary Phosphomolybdate Anions
• Authors of publication: Roy Copping; Leif Jonasson; Andrew J. Gaunt; Dennis Drennan; David Collison; Madeleine Helliwell; Ross J. Pirttijarvi; Chris J. Jones; Anne Huguet; David C. Apperley; Nikolas Kaltsoyannis; Iain May
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5787 - 5798
• a: 37.507 ± 0.007 Å
• b: 13.024 ± 0.003 Å
• c: 19.543 ± 0.004 Å
• α: 90°
• β: 117.665 ± 0.003°
• γ: 90°
• Cell volume: 8455 ± 3 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: 0.152
• Residual factor for significantly intense reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.3721
• Weighted residual factors for all reflections included in the refinement: 0.3767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No