Information card for entry 7012791

Structure parameters

• Formula: C30 H26 N16 O18 Y2
• Calculated formula: C30 H26 N16 O18 Y2
• SMILES: [Y]123456([n]7ccccc7c7[n]1c(ccc7)c1[n]2nc(c(n1)C)C)(ON(=O)=[O]3)(ON(=[O]4)=O)[O]=N(=O)[O]6[Y]12346([n]7ccccc7c7cccc(c8[n]2nc(c(n8)C)C)[n]17)(ON(=[O]3)=O)(ON(=[O]4)=O)[O]=N(=O)[O]56
• 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: 10.886 ± 0.016 Å
• b: 14.401 ± 0.018 Å
• c: 13.191 ± 0.018 Å
• α: 90°
• β: 108.511 ± 0.01°
• γ: 90°
• Cell volume: 1961 ± 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: 0.1259
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No