Information card for entry 4327656

Structure parameters

• Formula: C24 H28 Br N6 O7 S4 V2
• Calculated formula: C29 H24 Br2 N8 O8 S4 V2
• Title of publication: Mixed-Oxidation Divanadium(IV,V) Compound with Ligand Asymmetry: Electronic and Molecular Structure in Solution and in the Solid State
• Authors of publication: Subodh Kanti Dutta; Satyabrata Samanta; Sujit Baran Kumar; Oc Hee Han; Pannee Burckel; A. Alan Pinkerton; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1982 - 1988
• a: 10.74 ± 0.002 Å
• b: 18.912 ± 0.004 Å
• c: 17.163 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3486.1 ± 1.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for significantly intense reflections: 2.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No