Information card for entry 4319089

Structure parameters

• Common name: bis-triethyl ammonium salt of oxovanadium bis-4-methyl-1,2-benzenedithiolate
• Formula: C26 H44 N2 O S4 V
• Calculated formula: C26 H44 N2 O S4 V
• Title of publication: New Oxovanadium Bis(1,2-dithiolate) Compounds That Mimic the Hydrogen-Bonding Interactions at the Active Sites of Mononuclear Molybdenum Enzymes
• Authors of publication: J. Jon A. Cooney; Michael D. Carducci; Anne E. McElhaney; Hugh D. Selby; John H. Enemark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7086 - 7093
• a: 27.48 ± 0.009 Å
• b: 27.749 ± 0.009 Å
• c: 7.847 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5984 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No