Information card for entry 7008047

Structure parameters

• Formula: C43 H34 Ce F9 N8 O10 S3
• Calculated formula: C43 H32 Ce F9 N8 O10 S3
• SMILES: [Ce]1234(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([OH2])([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.S(=O)(=O)([O-])C(F)(F)F.n1ccccc1.n1ccccc1
• Title of publication: Selective complexation of uranium(III) over lanthanide(III) triflates by 2,2':6',2"-terpyridine. X-Ray crystal structures of [M(OTf)3(terpy)2] and [M(OTf)2(terpy)2(py)][OTf](M = Nd, Ce, U) and of polynuclear mu-oxo uranium(IV) complexes resulting from hydrolysis.
• Authors of publication: Berthet, Jean-Claude; Nierlich, Martine; Miquel, Yannick; Madic, Charles; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 369 - 379
• a: 9.124 ± 0.0018 Å
• b: 25.703 ± 0.005 Å
• c: 21.133 ± 0.004 Å
• α: 90°
• β: 100.36 ± 0.03°
• γ: 90°
• Cell volume: 4875.2 ± 1.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0656
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No