Information card for entry 7018952

Structure parameters

• Formula: C18 H20 Cs3 Eu N6 O19
• Calculated formula: C18 H18 Cs3 Eu N6 O19
• SMILES: [n]12[Eu]34567([n]8c(cncc8C(=O)O3)C(=O)O5)([n]3c(cncc3C(=O)O4)C(=O)O6)OC(=O)c1cncc2C(=O)O7.O.O.O.[Cs+].[Cs+].O.O.O.O.[Cs+]
• Title of publication: A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates.
• Authors of publication: Moore, Evan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5272 - 5279
• a: 10.4302 ± 0.0002 Å
• b: 10.4302 ± 0.0002 Å
• c: 55.1896 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5199.64 ± 0.19 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No