Information card for entry 7039239

Structure parameters

• Formula: C26 H26 N4 O6 U
• Calculated formula: C26 H26 N4 O6 U
• SMILES: C(=[N]\1[U]2(=O)([N](=C(\c3ccccc3)c3ncccc3)\O2)(=O)(O1)([OH]C)[OH]C)(c1ccccc1)/c1ncccc1
• Title of publication: Binding of oxime group to uranyl ion.
• Authors of publication: Tsantis, Sokratis T.; Zagoraiou, Eirini; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Szyrwiel, Lukasz; Hołyńska, Małgorzata; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 9307 - 9319
• a: 9.544 ± 0.003 Å
• b: 8.859 ± 0.003 Å
• c: 15.195 ± 0.004 Å
• α: 90°
• β: 91.73 ± 0.03°
• γ: 90°
• Cell volume: 1284.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No