Information card for entry 7012788

Structure parameters

• Formula: C15 H25 Gd N8 O15
• Calculated formula: C15 H13 Gd N8 O15
• SMILES: [Gd]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2nc(c(n1)C)C)([OH2])([OH2])([OH2])(ON(=O)=O)[O]=N(=O)O3.N(=O)(=O)[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: 8.183 ± 0.014 Å
• b: 9.585 ± 0.014 Å
• c: 16.57 ± 0.02 Å
• α: 82.415 ± 0.01°
• β: 82.379 ± 0.01°
• γ: 78.879 ± 0.01°
• Cell volume: 1256 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No