Information card for entry 2228139

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[pentaaquaeuropium(III)]\-m-5-sulfonatoisophthalato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide hemisolvate trihydrate]
• Formula: C13 H23 Eu N O16 S
• Calculated formula: C13 H23 Eu N O16 S
• SMILES: [Eu]123(OC(=[O]1)c1cc(cc(S(=O)(=O)[O-])c1)C(=O)O[Eu]1(OC(=[O]1)c1cc(cc(S(=O)(=O)[O-])c1)C(=[O]2)O[Eu]12([O]=C(O3)c3cc(C4=[O][Eu](O4)([OH2])([OH2])([OH2])([OH2])([OH2])OC(=O)c4cc(C(=[O]1)O2)cc(S(=O)(=O)[O-])c4)cc(S(=O)(=O)[O-])c3)([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=n1ccc(cc1)c1ccn(=O)cc1.O.O.O.O.O.O.O=n1ccc(cc1)c1ccn(=O)cc1.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[pentaaquaeuropium(III)]-μ-5-sulfonatoisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide hemisolvate trihydrate]
• Authors of publication: Wu, Ai-Zhi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1433
• a: 10.78 ± 0.0004 Å
• b: 10.8978 ± 0.0003 Å
• c: 11.4048 ± 0.0003 Å
• α: 89.383 ± 0.002°
• β: 62.989 ± 0.001°
• γ: 62.678 ± 0.006°
• Cell volume: 1026.9 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes