Information card for entry 7226105

Structure parameters

• Formula: C22 H21.33 N3 O3.67 V
• Calculated formula: C22 H21.3333 N3 O3.66667 V
• SMILES: [V]12(=O)(=O)Oc3c(C=[N]2c2cccc4ccc[n]1c24)cc1CCCN2CCCc3c12.O
• Title of publication: Dioxo-vanadium(V), oxo-rhenium(V) and dioxo-uranium(VI) complexes with a tridentate Schiff base ligand
• Authors of publication: Zhang, Yingjie; Fanna, Daniel; Shepherd, Nicholas D.; Karatchevtseva, Inna; Lu, Kim; Kong, Linggen; Price, Jason R.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.39 ± 0.003 Å
• b: 17.48 ± 0.004 Å
• c: 22.77 ± 0.005 Å
• α: 100.25 ± 0.03°
• β: 98.44 ± 0.03°
• γ: 106.11 ± 0.03°
• Cell volume: 5665 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0703
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No