Information card for entry 4116987

Structure parameters

• Formula: C11 H14 N O4 S2 V
• Calculated formula: C11 H14 N O4 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: 7.6495 ± 0.0014 Å
• b: 12.384 ± 0.006 Å
• c: 27.867 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2639.9 ± 1.8 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No