Information card for entry 4308598

Structure parameters

• Formula: C20 H36 Mo O8 W
• Calculated formula: C20 H36 Mo O8 W
• 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: 5.729 ± 0.001 Å
• b: 10.846 ± 0.002 Å
• c: 11.196 ± 0.002 Å
• α: 70.49 ± 0.01°
• β: 86.85 ± 0.01°
• γ: 89.01 ± 0.01°
• Cell volume: 654.7 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No