Information card for entry 7115772

Structure parameters

• Chemical name: di(dioxo-4,5-amidiximatoimidazole-vanadium(V)) dihydrate
• Formula: C10 H18 N12 O10 V2
• Calculated formula: C10 H18 N12 O10 V2
• SMILES: c1[nH]c(c2C(=[N]3O[V]4([n]5c[nH]c(c5C(=[N]4O[V]3([n]12)(=O)=O)N)C(N)=NO)(=O)=O)N)C(N)=NO.O.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: 16.9496 ± 0.0008 Å
• b: 7.4133 ± 0.0004 Å
• c: 16.5253 ± 0.0008 Å
• α: 90°
• β: 111.845 ± 0.002°
• γ: 90°
• Cell volume: 1927.34 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No