Information card for entry 7012787

Structure parameters

• Formula: C30 H26 N16 Nd2 O18
• Calculated formula: C30 H26 N16 Nd2 O18
• SMILES: c1cccc2c3[n]4[Nd]5678([n]12)(ON(=O)=[O]5)(ON(=[O]6)=O)([n]1c(c4ccc3)nc(c(n1)C)C)[O]=N(=O)[O]8[Nd]12345([n]6ccccc6c6cccc(c8[n]2nc(c(n8)C)C)[n]16)(ON(=[O]3)=O)(ON(=[O]4)=O)[O]=N(=O)[O]75
• 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: 10.932 ± 0.017 Å
• b: 14.53 ± 0.02 Å
• c: 13.23 ± 0.02 Å
• α: 90°
• β: 107.913 ± 0.01°
• γ: 90°
• Cell volume: 2000 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No