Information card for entry 7114794

Structure parameters

• Formula: C84 H108 Ce I3 N24
• Calculated formula: C87 H93 Ce I3 N21
• SMILES: [Ce]123456([n]7c(cccc7c7[n]1nc(c(n7)CCC)CCC)c1[n]2nc(c(n1)CCC)CCC)([n]1c(cccc1c1[n]3nc(c(n1)CCC)CCC)c1[n]4nc(c(n1)CCC)CCC)[n]1c(cccc1c1[n]5nc(c(n1)CCC)CCC)c1[n]6nc(c(n1)CCC)CCC.[I-].[I-].[I-].c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Selective complexation of uranium(iii) over cerium(iii) by 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridines: 1H NMR and X-ray crystallography studies
• Authors of publication: Iveson, Peter B.; Rivière, Christelle; Nierlich, Martine; Thuéry, Pierre; Ephritikhine, Michel; Guillaneux, Denis; Madic, Charles
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 16
• Pages of publication: 1512
• a: 13.576 ± 0.0015 Å
• b: 19.695 ± 0.002 Å
• c: 16.643 ± 0.0016 Å
• α: 90°
• β: 95.095 ± 0.004°
• γ: 90°
• Cell volume: 4432.4 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.2421
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.2196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No