Information card for entry 4337358

Structure parameters

• Common name: N/A
• Formula: C32 H30 N8 O15 Th
• Calculated formula: C32 H32 N8 O15 Th
• SMILES: [Th]1234567([O]=C(N(c8ccc(C)cc8)CC)c8[n]6c6c(cc8)ccc8c6[n]7c(cc8)C(=[O]1)N(CC)c1ccc(cc1)C)([O]=N(=O)O2)(ON(=[O]3)=O)(ON(=[O]4)=O)ON(=[O]5)=O.O
• 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: 18.0542 ± 0.0017 Å
• b: 10.9572 ± 0.001 Å
• c: 20.9202 ± 0.0017 Å
• α: 90°
• β: 115.522 ± 0.001°
• γ: 90°
• Cell volume: 3734.7 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No