Information card for entry 4322445

Structure parameters

• Formula: C55 H74 O8 S2 V2
• Calculated formula: C55 H74 O8 S2 V2
• Title of publication: Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO)
• Authors of publication: Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4303 - 4308
• a: 35.6184 ± 0.0002 Å
• b: 35.6184 ± 0.0002 Å
• c: 13.5217 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14856.3 ± 0.16 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections: 0.2638
• Weighted residual factors for significantly intense reflections: 0.2359
• Goodness-of-fit parameter for all reflections: 1.15
• Goodness-of-fit parameter for significantly intense reflections: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No