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Information card for entry 2231548
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Coordinates | 2231548.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | <i>catena</i>-poly[[[triaquaeuropium(III)]-bis(μ-1<i>H</i>,3<i>H</i>-\ benzimidazol-3-ium-5,6-dicarboxylato-\ κ^3^<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^6^)-\ [triaquaeuropium(III)]-di-μ-sulfato-\ κ^3^<i>O</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>'] hexahydrate] |
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Formula | C18 H34 Eu2 N4 O28 S2 |
Calculated formula | C18 H34 Eu2 N4 O28 S2 |
SMILES | [Eu]123([OH2])([OH2])([OH2])([O]4S(=O)(=O)O[Eu]456([OH2])([OH2])([OH2])([O]3S(=O)(=O)O1)OC(=[O]5)c1c(cc3[nH]c[nH+]c3c1)C(=O)O[Eu]134([O]=C(O1)c1c(C(=O)O6)cc5[nH]c[nH+]c5c1)([OH2])([OH2])([OH2])[O]1S(=O)(=O)O[Eu]1([O]4S(=O)(=O)O3)([OH2])([OH2])[OH2])(OC(=O)c1c(cc3[nH]c[nH+]c3c1)C(=O)[O-])OC(=[O]2)c1c(cc2[nH]c[nH+]c2c1)C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | A one-dimensional triaquaeuropium(III)‒1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylate‒sulfate polymeric structure |
Authors of publication | Cai, Xia; Lin, Jing-Jun; Chen, Hao-Zhao; Chen, Lai-Chen; Zeng, Rong-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 9 |
Pages of publication | m1310 - m1311 |
a | 7.1261 ± 0.0016 Å |
b | 9.581 ± 0.002 Å |
c | 12.424 ± 0.003 Å |
α | 100.496 ± 0.003° |
β | 98.06 ± 0.003° |
γ | 94.979 ± 0.003° |
Cell volume | 820.3 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0382 |
Residual factor for significantly intense reflections | 0.0362 |
Weighted residual factors for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.0965 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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