Information card for entry 7711140

Structure parameters

• Formula: C20 H25 N4 O3 V
• Calculated formula: C20 H25 N4 O3 V
• SMILES: [V]12(Oc3nc(ccc3)C)(Oc3[n]2c(ccc3)C)(Oc2[n]1c(ccc2)C)[NH](C)C
• Title of publication: Vanadium Pyridonates: Dimerization, Redox Behaviour, and Metal-Ligand Cooperativity
• Authors of publication: Griffin, Samuel E.; Adamczyk, Olivia V.; Schafer, Laurel L.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.9979 ± 0.0005 Å
• b: 9.5099 ± 0.0006 Å
• c: 12.4283 ± 0.0008 Å
• α: 83.967 ± 0.002°
• β: 80.205 ± 0.002°
• γ: 78.645 ± 0.002°
• Cell volume: 1024.64 ± 0.11 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: 0.0518
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No