Information card for entry 2239899

Structure parameters

• Chemical name: Di-μ-benzato-κ^4^<i>O</i>:<i>O</i>'-bis[aqua(benzato-κ<i>O</i>)(benzato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')europium(III)]‒benzoic acid (1/2)
• Formula: C86 H68 Eu2 N6 O18
• Calculated formula: C86 H68 Eu2 N6 O18
• SMILES: c12c3cccc4[n]3[Eu]35([n]1cccc2)([n]1c4cccc1)([O]=C(O3)c1ccccc1)(OC(=O)c1ccccc1)([O]=C(O[Eu]123([n]4ccccc4c4cccc([n]14)c1[n]2cccc1)([O]=C(O5)c1ccccc1)([O]=C(O3)c1ccccc1)([OH2])OC(=O)c1ccccc1)c1ccccc1)[OH2].O=C(O)c1ccccc1.OC(=O)c1ccccc1
• Title of publication: Crystal structure of di-μ-benzato-κ^4^<i>O</i>:<i>O</i>'-bis[aqua(benzato-κ<i>O</i>)(benzato-κ^2^<i>O</i>,<i>O</i>')(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')europium(III)]‒benzoic acid (1/2)
• Authors of publication: White, Frankie; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: m328 - m329
• a: 11.8435 ± 0.0005 Å
• b: 13.947 ± 0.0007 Å
• c: 14.009 ± 0.0007 Å
• α: 102.568 ± 0.004°
• β: 111.4 ± 0.005°
• γ: 108.583 ± 0.005°
• Cell volume: 1890.4 ± 0.2 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0511
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes