Information card for entry 7012792

Structure parameters

• Formula: C81 H115 N27 O20.5 Y2
• Calculated formula: C81 H105 N27 O20.5 Y2
• 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: 34.86 ± 0.04 Å
• b: 14.79 ± 0.017 Å
• c: 40.64 ± 0.04 Å
• α: 90°
• β: 97.108 ± 0.01°
• γ: 90°
• Cell volume: 20792 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2879
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2678
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No