Information card for entry 4301122

Structure parameters

• Formula: C19.5 H26 N4 O4.5
• Calculated formula: C19.5 H22 N4 O4.5
• 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: 26.188 ± 0.005 Å
• b: 10.947 ± 0.002 Å
• c: 14.206 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4072.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No