Information card for entry 7018597

Structure parameters

• Common name: Sodium-dimolybdenum(II)-penta(trifluormethanesulfonate)- trifluormethanesulfonic acid
• Formula: C7 H0 F21 Mo2 Na O21 S7
• Calculated formula: C7 H0.5 F21 Mo2 Na O21 S7
• 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: 13.7139 ± 0.0011 Å
• b: 14.3392 ± 0.0014 Å
• c: 21.34 ± 0.002 Å
• α: 81.776 ± 0.011°
• β: 75.209 ± 0.01°
• γ: 62.649 ± 0.01°
• Cell volume: 3602.2 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No