Information card for entry 7711139

Structure parameters

• Formula: C25 H28 N5 O3 V
• Calculated formula: C25 H28 N5 O3 V
• SMILES: [V]12(Oc3[n]1c(C)ccc3)([n]1ccc(N(C)C)cc1)([n]1c(cccc1O2)C)Oc1nc(ccc1)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: 8.162 ± 0.001 Å
• b: 9.0032 ± 0.0011 Å
• c: 16.663 ± 0.002 Å
• α: 86.475 ± 0.004°
• β: 81.945 ± 0.004°
• γ: 86.385 ± 0.004°
• Cell volume: 1208.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.0406
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No