Information card for entry 1542281

Structure parameters

• Common name: NaO2(cyclciAO)
• Chemical name: NaO2(cyclciAO)
• Formula: C5 H7 N3 Na O4 V
• Calculated formula: C5 H7 N3 Na O4 V
• SMILES: C12=[N]3C(=NO[V]3(ON1)(=O)=O)CCC2.[Na+]
• Title of publication: Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution
• Authors of publication: Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2775
• a: 15.0543 ± 0.0008 Å
• b: 5.507 ± 0.0003 Å
• c: 10.1794 ± 0.0005 Å
• α: 90°
• β: 101.569 ± 0.003°
• γ: 90°
• Cell volume: 826.77 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No