Information card for entry 7018599

Structure parameters

• Common name: Cesium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid
• Formula: C7 H2 Cs F21 Mo2 O21 S7
• Calculated formula: C7 H2 Cs F21 Mo2 O21 S7
• SMILES: S1(C(F)(F)F)(=O)=[O][Mo]23(OS(C(F)(F)F)(=O)=[O][Mo]2(OS(C(F)(F)F)(=O)=[O]3)(O1)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.S(=O)(=O)(O)C(F)(F)F.[Cs+].S(=O)(=O)(C(F)(F)F)O
• Title of publication: Opening the paddlewheel: unusual coordination of [Mo(2)] dumbbells in the chain structures of A[Mo(2)(CF(3)SO(3))(5)]·2CF(3)SO(3)H (A = Na, Rb, Cs).
• Authors of publication: Neuschulz, Kai; Penning, Miriam; Groß, Lynn; Klüner, Thorsten; Wickleder, Mathias S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4685 - 4691
• a: 11.584 ± 0.0012 Å
• b: 14.9472 ± 0.0008 Å
• c: 11.7437 ± 0.0013 Å
• α: 90°
• β: 113.476 ± 0.012°
• γ: 90°
• Cell volume: 1865.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No