Information card for entry 2228503

Structure parameters

• Chemical name: Bis[μ-2-(4-hydroxyphenyl)acetato]- κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'- bis{aqua(4,4'-bipyridine-κ<i>N</i>)[2-(4-hydroxyphenyl)acetato- κ^2^<i>O</i>,<i>O</i>']erbium(III)} monohydrate
• Formula: C68 H64 Er2 N4 O21
• Calculated formula: C68 H64 Er2 N4 O21
• SMILES: [Er]1234([n]5ccc(cc5)c5ccncc5)(OC(=[O]1)Cc1ccc(cc1)O)([O]=C(Cc1ccc(cc1)O)O3)([O]=C(Cc1ccc(cc1)O)[O]2[Er]123([n]5ccc(cc5)c5ccncc5)([O]=C(Cc5ccc(cc5)O)[O]14)([O]=C(Cc1ccc(cc1)O)O3)([O]=C(Cc1ccc(cc1)O)O2)[OH2])[OH2].O
• Title of publication: Bis[μ-2-(4-hydroxyphenyl)acetato]-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis{aqua(4,4'-bipyridine-κ<i>N</i>)[2-(4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']erbium(III)} monohydrate
• Authors of publication: Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1513
• a: 11.7043 ± 0.0002 Å
• b: 16.1714 ± 0.0003 Å
• c: 18.4117 ± 0.0003 Å
• α: 83.35 ± 0.001°
• β: 72.339 ± 0.001°
• γ: 71.359 ± 0.001°
• Cell volume: 3145.74 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.022
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes