Information card for entry 7062298

Structure parameters

• Formula: C25 H31 N7 O11 V2
• Calculated formula: C25 H31 N7 O11 V2
• SMILES: [V]12(Oc3c(cccc3C=[N]1N=C(O2)c1c(C)nc(C)c(c1)C1=N[N]2[V](O1)(Oc1c(C=2)cccc1OC)(=O)=O)OC)(=O)=O.O.[NH4+].[NH4+]
• Title of publication: Dinuclear oxidovanadium complexes with dihydrazone ligands derived from diethyl 2,6-dimethylpyridine-3,5-dicarboxylate obtained from Hantzsch reaction; crystal structure and catalytic activity
• Authors of publication: Soltani, Fatemeh; Bikas, Rahman; Heydari, Neda; Kozakiewicz-Piekarz, Anna
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 13
• Pages of publication: 6102 - 6113
• a: 7.1522 ± 0.0004 Å
• b: 15.2574 ± 0.0007 Å
• c: 25.8864 ± 0.0012 Å
• α: 90°
• β: 90.0557 ± 0.0002°
• γ: 90°
• Cell volume: 2824.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No