Information card for entry 4319263

Structure parameters

• Formula: C22 H41 N2 S6 W
• Calculated formula: C22 H41 N2 S6 W
• Title of publication: Electron Distribution in the Nonclassical Bis(dithiolene) Electron Transfer Series [M(CO)2(S2C2Me2)2]0/1-/2- (M = Mo, W): Assessment by Structural, Spectroscopic, and Density Functional Theory Results
• Authors of publication: Dmitry V. Fomitchev; Booyong S. Lim; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 645 - 654
• a: 9.6566 ± 0.0014 Å
• b: 23.791 ± 0.003 Å
• c: 13.4302 ± 0.0019 Å
• α: 90°
• β: 106.096 ± 0.012°
• γ: 90°
• Cell volume: 2964.5 ± 0.7 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No