Information card for entry 4116988

Structure parameters

• Formula: C11 H14 N O2 S2 V
• Calculated formula: C11 H14 N O2 S2 V
• Title of publication: Oxidation of a Vanadium(V)-Dithiolate Complex to a Vanadium(V)-η2,η2-Disulfenate Complex
• Authors of publication: Charles R. Cornman; Thad C. Stauffer; Paul D. Boyle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 5986 - 5987
• a: 6.798 ± 0.002 Å
• b: 7.137 ± 0.002 Å
• c: 14.73 ± 0.004 Å
• α: 90.85 ± 0.03°
• β: 100.93 ± 0.02°
• γ: 115.05 ± 0.03°
• Cell volume: 632 ± 0.4 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.044
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No