Information card for entry 2229143

Structure parameters

• Chemical name: [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>)bis[2- (4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']holmium(III)} monohydrate
• Formula: C68 H64 Ho2 N4 O21
• Calculated formula: C68 H64 Ho2 N4 O21
• SMILES: [Ho]1234(OC(=[O]1)Cc1ccc(cc1)O)([O]=C(Cc1ccc(cc1)O)O3)([O]=C(Cc1ccc(cc1)O)[O]2[Ho]123([O]=C(Cc5ccc(cc5)O)[O]14)([O]=C(Cc1ccc(cc1)O)O3)([O]=C(Cc1ccc(cc1)O)O2)([n]1ccc(cc1)c1ccncc1)[OH2])([n]1ccc(cc1)c1ccncc1)[OH2].O
• Title of publication: [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>)bis[2-(4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']holmium(III)} monohydrate
• Authors of publication: Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m191 - m192
• a: 11.7217 ± 0.0007 Å
• b: 16.1885 ± 0.0009 Å
• c: 18.413 ± 0.001 Å
• α: 83.441 ± 0.003°
• β: 72.208 ± 0.003°
• γ: 71.337 ± 0.003°
• Cell volume: 3151.4 ± 0.3 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: 0.0241
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes