Information card for entry 4335330

Structure parameters

• Formula: C26 H30 N3 O4 V
• Calculated formula: C26 H30 N3 O4 V
• SMILES: [V]123(=O)(Oc4c(cc(cc4C=[N]1Nc1cccc[n]21)C(C)(C)C)C(C)(C)C)Oc1ccccc1O3
• 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: 38.113 ± 0.004 Å
• b: 38.113 ± 0.004 Å
• c: 10.0207 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12606 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No