Information card for entry 7012790

Structure parameters

• Formula: C15 H15 N8 O11 Y
• Calculated formula: C15 H15 N8 O11 Y
• SMILES: [Y]1234([n]5ccccc5c5[n]1c(ccc5)c1nc(c(n[n]21)C)C)(ON(=O)=[O]3)(ON(=O)=[O]4)([OH2])[OH2].N(=O)(=O)[O-]
• Title of publication: The coordination chemistry of 1,2,4-triazinyl bipyridines with lanthanide(III) elements ‒ implications for the partitioning of americium(III)
• Authors of publication: Michael J. Hudson; Michael G. B. Drew; Mark R. StJ. Foreman; Clément Hill; Nathalie Huet; Charles Madic; Tristan G. A. Youngs
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1675 - 1685
• a: 9.212 ± 0.011 Å
• b: 10.887 ± 0.014 Å
• c: 12.361 ± 0.014 Å
• α: 104.701 ± 0.01°
• β: 98.626 ± 0.01°
• γ: 107.551 ± 0.01°
• Cell volume: 1108 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1118
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No