Information card for entry 7711135

Structure parameters

• Formula: C14 H20 N4 O2 V
• Calculated formula: C14 H20 N4 O2 V
• SMILES: [V]12(Oc3[n]1cccc3)(Oc1[n]2cccc1)(N(C)C)N(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: 8.7947 ± 0.0004 Å
• b: 12.8162 ± 0.0005 Å
• c: 14.5558 ± 0.0006 Å
• α: 90°
• β: 105.509 ± 0.001°
• γ: 90°
• Cell volume: 1580.91 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.046
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No