Information card for entry 2231550

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[triaquaeuropium(III)]-μ-(1<i>H</i>- benzimidazole-5,6-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^6^)-μ- (1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato- κ^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]
• Formula: C18 H19 Eu N4 O13
• Calculated formula: C18 H19 Eu N4 O13
• SMILES: O.O.O.O.O.O.[Eu]12([OH2])([OH2])([OH2])OC(=O)c3cc4[nH+]c[nH]c4cc3C(=[O]3)O[Eu]34([OH2])([OH2])([OH2])(OC(=O)c5cc6[nH+]c[nH]c6cc5C(=[O]2)O1)OC(=O)c1cc2nc[nH]c2cc1C(=O)O[Eu]([OH2])([OH2])([OH2])OC(=O)c1cc2nc[nH]c2cc1C(=O)O4
• Title of publication: <i>catena</i>-Poly[[[triaquaeuropium(III)]-μ-(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^6^)-μ-(1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]
• Authors of publication: Chen, Xiao-Ye; Huo, Shu-Min; Lin, Jing-Jun; Cai, Xia; Zeng, Rong-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1294 - m1295
• a: 8.453 ± 0.0004 Å
• b: 10.9757 ± 0.0006 Å
• c: 12.7124 ± 0.0007 Å
• α: 112.112 ± 0.001°
• β: 91.614 ± 0.001°
• γ: 104.453 ± 0.001°
• Cell volume: 1048.25 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes