Information card for entry 7012784

Structure parameters

• Formula: C30 H30 La2 N16 O20
• Calculated formula: C30 H26 La2 N16 O20
• SMILES: c1cccc2c3[n]4[La]5678([n]12)(ON(=[O]5)=O)([OH2])([n]1c(c4ccc3)nc(c(n1)C)C)(ON(=[O]6)=O)ON(=[O]8[La]12345([n]6ccccc6c6cccc(c8[n]2nc(c(n8)C)C)[n]16)(ON(=[O]3)=O)(ON(=[O]4)=O)([O]=N([O]75)=O)[OH2])=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: 8.126 ± 0.014 Å
• b: 9.638 ± 0.017 Å
• c: 14.08 ± 0.02 Å
• α: 92.127 ± 0.01°
• β: 101.892 ± 0.01°
• γ: 100.306 ± 0.01°
• Cell volume: 1059 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0806
• 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: No
• Has Fobs: No