Information card for entry 7012789

Structure parameters

• Formula: C15 H13 Er N8 O12
• Calculated formula: C15 H13 Er N8 O12
• SMILES: [Er]1234(ON(=O)=[O]1)(ON(=O)=[O]2)([n]1ccccc1c1[n]3c(ccc1)c1[n]4nc(c(n1)C)C)([OH2])[OH2].N(=O)(=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: 7.652 ± 0.013 Å
• b: 10.803 ± 0.017 Å
• c: 14.55 ± 0.02 Å
• α: 95.914 ± 0.01°
• β: 101.427 ± 0.01°
• γ: 95.431 ± 0.01°
• Cell volume: 1164 ± 3 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: 0.0694
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No