Information card for entry 7114795

Structure parameters

• Formula: C89 H113 I3 N25 U
• Calculated formula: C93 H46 I3 N21 U
• 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: 13.4305 ± 0.001 Å
• b: 16.5088 ± 0.0012 Å
• c: 21.1404 ± 0.0015 Å
• α: 80.601 ± 0.004°
• β: 88.755 ± 0.004°
• γ: 83.588 ± 0.005°
• Cell volume: 4595.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2153
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No