Information card for entry 4331571

Structure parameters

• Formula: C18 H17 N4 O5 V
• Calculated formula: C18 H17 N4 O5 V
• SMILES: [V]12(=O)(=O)[N](N=C(O1)c1c(O)cccc1)=Cc1c(O2)cccc1.c1[nH]c[nH+]c1C
• 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: 8.622 ± 0.009 Å
• b: 10.431 ± 0.012 Å
• c: 12.233 ± 0.014 Å
• α: 111.985 ± 0.01°
• β: 93.816 ± 0.01°
• γ: 108.996 ± 0.01°
• Cell volume: 942.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2044
• Residual factor for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections: 0.272
• Weighted residual factors for significantly intense reflections: 0.2245
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No