Information card for entry 4301123

Structure parameters

• Formula: C16 H22 N6 O5
• Calculated formula: C16 H22 N6 O5
• SMILES: [O-]C(=O)C[NH+](CC(=O)O)CCN(Cc1nccnc1)Cc1nccnc1.O
• Title of publication: Comparison of Two Tetrapodal N,O Ligands: Impact of the Softness of the Heterocyclic N-Donors Pyridine and Pyrazine on the Selectivity for Am(III) over Eu(III)
• Authors of publication: Marie Heitzmann; Florence Bravard; Christelle Gateau; Nathalie Boubals; Claude Berthon; Jacques Pécaut; Marie-Christine Charbonnel; Pascale Delangle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 246 - 256
• a: 19.42 ± 0.04 Å
• b: 7.104 ± 0.015 Å
• c: 13.77 ± 0.03 Å
• α: 90°
• β: 108.45 ± 0.03°
• γ: 90°
• Cell volume: 1802 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No