Information card for entry 4305169

Structure parameters

• Formula: C16 H15 N2 O5 V
• Calculated formula: C16 H15 N2 O5 V
• SMILES: [V]12(OC(=N[N]2=Cc2c(O1)cccc2)c1ccccc1O)(=O)OCC
• Title of publication: Solution Study of a Structurally Characterized Monoalkoxo-Bound Monooxo-Vanadium(V) Complex: Spontaneous Generation of the Corresponding Oxobridged Divanadium(V,V) Complex and its Electroreduction to a Mixed-Valence Species in Solution
• Authors of publication: Rupam Dinda; Parbati Sengupta; Manas Sutradhar; Thomas C. W. Mak; Saktiprosad Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5634 - 5640
• a: 10.136 ± 0.003 Å
• b: 8.868 ± 0.003 Å
• c: 35.64 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3203.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No