Information card for entry 7115771

Structure parameters

• Chemical name: 4,5-(diamidoximyl)imidazole
• Formula: C5 H8 N6 O2
• Calculated formula: C5 H8 N6 O2
• SMILES: O/N=C(N)/c1nc[nH]c1/C(N)=N/O
• Title of publication: Structural clues to UO2^2+^/VO^2+^ competition in seawater extraction using amidoxime-based extractants
• Authors of publication: Steven P. Kelley; Patrick S. Barber; Peter H. K. Mullins; Robin D. Rogers
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12504
• a: 9.9861 ± 0.0005 Å
• b: 9.1996 ± 0.0005 Å
• c: 16.6035 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1525.33 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No