Information card for entry 4316985

Structure parameters

• Formula: Mo40 O140 S8
• Calculated formula: Mo40 O140 S8
• SMILES: [Mo]12345(=O)[O]6[Mo]78(=O)(=O)[O]9[Mo]%10%11%12(=O)(O[Mo]%13%14(=O)(=O)[O]%12[Mo]%12%159(=O)[O]9%14[Mo](O%13)(O%12)(=O)(=O)[O]%12[Mo]%139(O8)(=O)[O]7%15[Mo]786(=O)[O]6%13[Mo]%12(O7)(=O)(=O)O[Mo]6([O]18)(O2)(=O)=O)[Mo]12(S%10)(S%11)(=O)[O]6[Mo]78(=O)(=O)[O]9[Mo]%10%11%12(=O)[O]%13[Mo]%14(=O)(=O)(O[Mo]%15(O%10)(=O)(=O)[O]%11%14[Mo]%10%11(O7)(=O)[O]8%12[Mo]786(=O)[O]6%10[Mo](=O)([O]%15%11)(O8)(=O)O[Mo]6([O]17)(O2)(=O)=O)O[Mo]129%13(=O)[Mo]67(S1)(S2)(=O)[O]1[Mo]28(=O)(=O)[O]9[Mo]%10%11%12(=O)(O[Mo]%13%14(=O)(=O)[O]%12[Mo]%12%159(=O)[O]9%14[Mo](O%13)(O%12)(=O)(=O)[O]%12[Mo]%139(O8)(=O)[O]2%15[Mo]281(=O)[O]1%13[Mo]%12(O2)(=O)(=O)O[Mo]1([O]68)(O7)(=O)=O)[Mo]12(S%10)(S%11)(=O)[O]6[Mo]78(=O)(=O)[O]9[Mo]%10%11%12(=O)[O]%13[Mo]%14(=O)(=O)(O[Mo]%15(O%10)(=O)(=O)[O]%11%14[Mo]%10%11(O7)(=O)[O]8%12[Mo]786(=O)[O]6%10[Mo](=O)([O]%15%11)(O8)(=O)O[Mo]6([O]17)(O2)(=O)=O)O[Mo]39%13(=O)(S4)S5.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A New Oxomolybdate Component Extracted from the "Virtual Dynamic Library" Yielding the Macrocyclic Anion [(MoVI8O28)4(MoV2O2S2)4]24-
• Authors of publication: Vladimir S. Korenev; Antoine G. Boulay; Anne Dolbecq; Maxim N. Sokolov; Akram Hijazi; Sébastien Floquet; Vladimir P. Fedin; Emmanuel Cadot
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9740 - 9742
• a: 18.658 ± 0.002 Å
• b: 23.714 ± 0.003 Å
• c: 40.864 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18081 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2606
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No