Information card for entry 7008046

Structure parameters

• Formula: C81 H59 F18 N15 O18 S6 U2
• Calculated formula: C81 H59 F18 N15 O18 S6 U2
• SMILES: [U]1234(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([n]5c(c6[n]4cccc6)cccc5c4[n]1cccc4)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[n]1ccccc1.S(=O)(=O)(C(F)(F)F)[O-].[U]1234(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)[n]1ccccc1.S(=O)(=O)([O-])C(F)(F)F.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: 14.487 ± 0.003 Å
• b: 14.997 ± 0.003 Å
• c: 21.269 ± 0.004 Å
• α: 98.67 ± 0.03°
• β: 100.48 ± 0.03°
• γ: 93.26 ± 0.03°
• Cell volume: 4475 ± 1.7 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: 0.0941
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No