Information card for entry 4323639

Structure parameters

• Formula: C25 H23 N6 O5 S4 V2
• Calculated formula: C25 H23 N6 O5 S4 V2
• Title of publication: Intramolecular Electron Transfer in (BzImH)[(LOV)2O] (H2L = S-Methyl 3-((2-Hydroxyphenyl)methyl)dithiocarbazate): A Novel μ-Oxo Dinuclear Oxovanadium(IV/V) Compound with a Trapped-Valence (V2O3)3+ Core
• Authors of publication: Subodh Kanti Dutta; Sujit Baran Kumar; Sudeep Bhattacharyya; Edward R. T. Tiekink; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4954 - 4960
• a: 10.1 ± 0.01 Å
• b: 20.594 ± 0.009 Å
• c: 14.679 ± 0.008 Å
• α: 90°
• β: 95.28 ± 0.06°
• γ: 90°
• Cell volume: 3040 ± 4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 2.46
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No