Information card for entry 7039242

Structure parameters

• Formula: C18 H22 N4 O12 U2
• Calculated formula: C18 H22 N4 O12 U2
• SMILES: CC(=[N]1O)c2cccc[n]2[U]123(=O)(=O)(OC(=[O]3)C)[O]1[O]2[U]213([n]1c(C(=[N]3O)C)cccc1)(=O)(=O)[O]=C(C)O2
• 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: 8.7891 ± 0.0003 Å
• b: 11.15 ± 0.0003 Å
• c: 13.054 ± 0.0004 Å
• α: 90°
• β: 108.448 ± 0.001°
• γ: 90°
• Cell volume: 1213.53 ± 0.06 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No