Information card for entry 7017097

Structure parameters

• Common name: Tetrakisdibenzylphosphinato-octaoxo- tetratungsten(V).tristetrahydrofuran
• Chemical name: Tetrakisdibenzylphosphinato-octaoxo-tetratungsten(V).tristetrahydrofuran
• Formula: C68 H80 O19 P4 W4
• Calculated formula: C68 H80 O19 P4 W4
• Title of publication: Expanding molecular transition metal cubane clusters of the form [M(4)(μ(3)-O)(4)](12+): syntheses, spectroscopic and structural characterizations of molecules M(4)(μ(3)-O)(4)(O(2)P(Bn)(2))(4)(O(4)), M = V(V) and W(V).
• Authors of publication: Maass, John S.; Chen, Zhichao; Zeller, Matthias; Luck, Rudy L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11356 - 11358
• a: 22.771 ± 0.004 Å
• b: 22.771 ± 0.004 Å
• c: 13.107 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6796 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No