Information card for entry 4335331

Structure parameters

• Formula: C34 H46 N3 O4 V
• Calculated formula: C34 H46 N3 O4 V
• SMILES: [V]123(Oc4c(cc(cc4C=[N]1Nc1cccc[n]21)C(C)(C)C)C(C)(C)C)(Oc1c(cc(cc1O3)C(C)(C)C)C(C)(C)C)=O
• Title of publication: Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series
• Authors of publication: Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7417 - 7430
• a: 14.305 ± 0.002 Å
• b: 17.23 ± 0.002 Å
• c: 13.792 ± 0.002 Å
• α: 90°
• β: 96.046 ± 0.011°
• γ: 90°
• Cell volume: 3380.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No