Information card for entry 2229987

Structure parameters

• Chemical name: Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate- κ<i>O</i>)europium(III) dinitrate
• Formula: C12 H18 Eu N5 O17
• Calculated formula: C12 H18 Eu N5 O17
• SMILES: c1cc(cc[nH+]1)C(=O)O[Eu]2(ON(=[O]2)=O)(OC(=O)c1cc[nH+]cc1)([OH2])([OH2])([OH2])[OH2].O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate-κ<i>O</i>)europium(III) dinitrate
• Authors of publication: Zhong, Zhi-Guo; Song, Jin-Fan; Li, Jing; Meng, Zhao-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m637
• a: 14.612 ± 0.004 Å
• b: 12.498 ± 0.004 Å
• c: 13.342 ± 0.004 Å
• α: 90°
• β: 118.728 ± 0.004°
• γ: 90°
• Cell volume: 2136.6 ± 1.1 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: 0.0149
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes