Information card for entry 4343982

Structure parameters

• Formula: C32 H30 N6 O6 V2
• Calculated formula: C32 H30 N6 O6 V2
• SMILES: c12cc3c(cc2C[N]24Cc5[n]([V]2([n]2c(C4)cccc2)(O1)(=O)=O)cccc5)O[V]12([N](C3)(Cc3cccc[n]13)Cc1[n]2cccc1)(=O)=O
• Title of publication: Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.
• Authors of publication: Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7218 - 7229
• a: 6.5655 ± 0.0009 Å
• b: 10.081 ± 0.0013 Å
• c: 11.7778 ± 0.0014 Å
• α: 97.637 ± 0.01°
• β: 101.977 ± 0.011°
• γ: 102.252 ± 0.011°
• Cell volume: 732.32 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1187
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No