Information card for entry 7008048

Structure parameters

• Formula: C33 H22 Ce F9 N6 O9 S3
• Calculated formula: C33 H22 Ce F9 N6 O9 S3
• SMILES: [Ce]1234(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([n]5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[n]1ccccc1c1[n]3c(ccc1)c1[n]4cccc1
• 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: 11.63 ± 0.002 Å
• b: 11.749 ± 0.002 Å
• c: 15.546 ± 0.003 Å
• α: 85.14 ± 0.03°
• β: 88.79 ± 0.03°
• γ: 70.03 ± 0.03°
• Cell volume: 1989.2 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No