Information card for entry 4308600

Structure parameters

• Formula: C20 H36 F6 O8 P W2
• Calculated formula: C20 H36 F6 O8 P W2
• SMILES: CC(C1=[O][W]234[O]=C(C(C)(C)C)O[W]4(O1)([O]=C(C(C)(C)C)O3)[O]=C(C(C)(C)C)O2)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cations M2(O2CtBu)4+, Where M = Mo and W, and MoW(O2CtBu)4+. Theoretical, Spectroscopic, and Structural Investigations
• Authors of publication: Malcolm H. Chisholm; Jason S. D'Acchioli; Brian D. Pate; Nathan J. Patmore; Naresh S. Dalal; David J. Zipse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1061 - 1067
• a: 16.767 ± 0.002 Å
• b: 10.379 ± 0.002 Å
• c: 19.117 ± 0.003 Å
• α: 90°
• β: 115.61 ± 0.01°
• γ: 90°
• Cell volume: 3000 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No