Information card for entry 7711141

Structure parameters

• Formula: C45 H48 N3 O3 V
• Calculated formula: C45 H48 N3 O3 V
• SMILES: [V]123(Oc4[n]1c(ccc4c1c(cc(cc1C)C)C)C)(Oc1[n]2c(ccc1c1c(cc(cc1C)C)C)C)Oc1[n]3c(ccc1c1c(cc(cc1C)C)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: 13.9174 ± 0.0003 Å
• b: 12.5107 ± 0.0002 Å
• c: 23.1488 ± 0.0005 Å
• α: 90°
• β: 98.065 ± 0.001°
• γ: 90°
• Cell volume: 3990.72 ± 0.14 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: 0.0696
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No