Information card for entry 4337359

Structure parameters

• Common name: N/A
• Formula: C34 H40 N6 O9 U
• Calculated formula: C34 H36 N6 O9 U
• SMILES: [U]1234(=O)(=O)(ON(=[O]1)=O)[O]=C(N(CC)c1ccc(cc1)C)c1[n]4c4c(cc1)ccc1c4[n]3c(cc1)C(=[O]2)N(CC)c1ccc(cc1)C.O.O.CNC
• Title of publication: Excellent selectivity for actinides with a tetradentate 2,9-diamide-1,10-phenanthroline ligand in highly acidic solution: a hard-soft donor combined strategy.
• Authors of publication: Xiao, Cheng-Liang; Wang, Cong-Zhi; Yuan, Li-Yong; Li, Bin; He, Hui; Wang, Shuao; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1712 - 1720
• a: 10.3764 ± 0.0018 Å
• b: 14.334 ± 0.003 Å
• c: 15.045 ± 0.003 Å
• α: 72.449 ± 0.003°
• β: 87.864 ± 0.003°
• γ: 76.227 ± 0.003°
• Cell volume: 2070.8 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No