Information card for entry 4116696

Structure parameters

• Formula: C9 H6 O5 S2 W
• Calculated formula: C9 H6 O5 S2 W
• Title of publication: A New Route to Dihydrodithiins by a Catalytic Reaction of Vinylthiiranes with W(CO)5(NCMe)
• Authors of publication: Richard D. Adams; J. W. Long; Joseph L. Perrin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 1922 - 1923
• a: 15.688 ± 0.002 Å
• b: 17.534 ± 0.003 Å
• c: 9.305 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.6 ± 0.6 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0229
• Goodness-of-fit parameter for significantly intense reflections: 1.381
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No