Information card for entry 7012785

Structure parameters

• Formula: C30 H30 Ce2 N16 O20
• Calculated formula: C30 H26 Ce2 N16 O20
• SMILES: c1cccc2c3cccc4c5[n]([Ce]678([n]12)(ON(=[O]6)=O)([OH2])([n]34)(ON(=O)=O)[O]=N([O]8[Ce]1234([n]6ccccc6c6cccc(c8[n]2nc(c(n8)C)C)[n]16)(ON(=[O]3)=O)(ON(=O)=O)([O]=N([O]74)=O)[OH2])=O)nc(c(n5)C)C
• 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: 8.135 ± 0.014 Å
• b: 9.611 ± 0.017 Å
• c: 14.05 ± 0.02 Å
• α: 92.297 ± 0.01°
• β: 101.364 ± 0.01°
• γ: 100.431 ± 0.01°
• Cell volume: 1056 ± 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: 0.1606
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No