Information card for entry 7021218

Structure parameters

• Common name: glutardiamidoxime
• Formula: C5 H14 N4 O3
• Calculated formula: C5 H14 N4 O3
• SMILES: ON=C(N)CCCC(N)=NO.O
• Title of publication: Thermodynamic studies of U(vi) complexation with glutardiamidoxime for sequestration of uranium from seawater.
• Authors of publication: Tian, Guoxin; Teat, Simon J.; Rao, Linfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5690 - 5696
• a: 8.3203 ± 0.0009 Å
• b: 11.678 ± 0.0013 Å
• c: 18.75 ± 0.002 Å
• α: 74.802 ± 0.002°
• β: 89.821 ± 0.002°
• γ: 88.107 ± 0.002°
• Cell volume: 1757.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No