Information card for entry 4322446

Structure parameters

• Formula: C26 H35 N2 O4 S V
• Calculated formula: C26 H35 N2 O4 S V
• 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: 13.2894 ± 0.0002 Å
• b: 12.9652 ± 0.0002 Å
• c: 16.3639 ± 0.0002 Å
• α: 90°
• β: 102.43 ± 0.001°
• γ: 90°
• Cell volume: 2753.41 ± 0.07 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.0996
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No