Information card for entry 4331572

Structure parameters

• Formula: C18 H21 N4 O7 V
• Calculated formula: C18 H21 N4 O7 V
• SMILES: [V]12(=O)(=O)Oc3ccccc3C=[N]1N=C(O2)c1ccccc1O.O.O.Cc1c[nH]c[nH+]1
• Title of publication: Synthesis, Reactivity, and X-ray Crystal Structure of Some Mixed-Ligand Oxovanadium(V) Complexes: First Report of Binuclear Oxovanadium(V) Complexes Containing 4,4‘-Bipyridine Type Bridge
• Authors of publication: Sutradhar, Manas; Mukherjee, Gurunath; Drew, Michael G. B.; Ghosh, Saktiprosad
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5150 - 5161
• a: 15.151 ± 0.017 Å
• b: 7.078 ± 0.01 Å
• c: 18.68 ± 0.02 Å
• α: 90°
• β: 99.16 ± 0.01°
• γ: 90°
• Cell volume: 1978 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No