Information card for entry 2228864

Structure parameters

• Chemical name: <i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5- carboxylato)europium(III)]
• Formula: C24 H15 Eu N6 O6
• Calculated formula: C24 H15 Eu N6 O6
• SMILES: [Eu]1234(OC(=O)c5ccc6c(c5)nc[nH]6)([O]=C(c5cc6c(cc5)nc[nH]6)O1)([O]=C(c1cc5c(cc1)[nH]cn5)O2)[O]=C(c1ccc2c(c1)nc[nH]2)O[Eu]12([O]3C(c3cc5c(cc3)nc[nH]5)=[O]1)[O]4C(c1cc3c(cc1)[nH]cn3)=[O]2
• Title of publication: <i>catena</i>-Poly[tris(μ~2~-1<i>H</i>-benzimidazole-5-carboxylato)europium(III)]
• Authors of publication: Gao, Junlin; Wang, Jun; Dai, Chuntao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m75
• a: 23.211 ± 0.002 Å
• b: 12.4312 ± 0.0012 Å
• c: 8.1329 ± 0.0008 Å
• α: 90°
• β: 107.902 ± 0.001°
• γ: 90°
• Cell volume: 2233.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes