Information card for entry 7020860

Structure parameters

• Common name: Tetraethylammonium Eu(pyrazine-2,6-dicarboxylate) hydrate
• Formula: C30 H50 Eu N9 O16
• Calculated formula: C30 H50 Eu N9 O16
• SMILES: [Eu]123456(OC(=O)c7[n]5c(cnc7)C(=O)O2)(OC(=O)c2[n]4c(C(=O)O1)cnc2)OC(=O)c1[n]6c(cnc1)C(=O)O3.C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O.O.O.O
• Title of publication: A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates - part II.
• Authors of publication: Moore, Evan G.; Grilj, Jakob; Vauthey, Eric; Ceroni, Paola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2075 - 2083
• a: 10.7804 ± 0.0008 Å
• b: 20.6915 ± 0.0016 Å
• c: 18.2029 ± 0.0014 Å
• α: 90°
• β: 96.852 ± 0.006°
• γ: 90°
• Cell volume: 4031.4 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1133
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No