Information card for entry 7711142

Structure parameters

• Formula: C24 H38 N5 O2 V
• Calculated formula: C24 H38 N5 O2 V
• SMILES: [V]1(Oc2[n]1c(C)ccc2)(Oc1nc(C)ccc1)([NH]1CCCC1)(N1CCCC1)[NH]1CCCC1
• 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: 9.1787 ± 0.0004 Å
• b: 10.7455 ± 0.0005 Å
• c: 13.7121 ± 0.0006 Å
• α: 67.9103 ± 0.0011°
• β: 79.1333 ± 0.0011°
• γ: 80.9407 ± 0.0012°
• Cell volume: 1225.1 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 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: 0.0495
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No