Information card for entry 2022920

Structure parameters

• Chemical name: (μ-Hydrogen disulfato)-μ-oxido-bis[(4,4'-di-<i>tert</i>-butyl-2,2'-bipyridine)oxidovanadium(IV/V)] acetonitrile monosolvate
• Formula: C38 H52 N5 O11 S2 V2
• Calculated formula: C38 H52 N5 O11 S2 V2
• Title of publication: Crystal structure of (μ-hydrogen di-sulfato)-μ-oxido-bis-[(4,4'-di-<i>tert</i>-butyl-2,2'-bi-pyridine)-oxidovanadium(IV/V)] aceto-nitrile monosolvate.
• Authors of publication: Kodama, Shintaro; Hashiguchi, Terushi; Nomoto, Akihiro
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1055 - 1058
• a: 13.0134 ± 0.0002 Å
• b: 34.9495 ± 0.0005 Å
• c: 39.4864 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17958.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes