Information card for entry 2228297

Structure parameters

• Chemical name: Bis[μ-3-(2-hydroxyphenyl)propenoato]bis{aqua(4,4'-bipyridine)bis[3-(2- hydroxyphenyl)propenoato]yttrium(III)} 4,4'-bipyridine disolvate
• Formula: C94 H78 N8 O20 Y2
• Calculated formula: C94 H78 N8 O20 Y2
• SMILES: [n]1([Y]234([O]=C(/C=C/c5ccccc5O)O2)([O]=C(/C=C/c2ccccc2O)O[Y]25([n]6ccc(cc6)c6ccncc6)([O]=C(/C=C/c6ccccc6O)O4)([O]=C(O2)/C=C/c2ccccc2O)([O]=C(/C=C/c2ccccc2O)O5)[OH2])([O]=C(O3)/C=C/c2ccccc2O)[OH2])ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1
• Title of publication: Bis[μ-3-(2-hydroxyphenyl)propenoato]bis{aqua(4,4'-bipyridine)bis[3-(2-hydroxyphenyl)propenoato]yttrium(III)} 4,4'-bipyridine disolvate
• Authors of publication: Zhang, Chun-Yan; Fu, Jun-Dan; Wen, Yi-Hang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1519
• a: 11.8464 ± 0.0007 Å
• b: 13.5272 ± 0.0008 Å
• c: 13.735 ± 0.0008 Å
• α: 77.561 ± 0.003°
• β: 88.85 ± 0.003°
• γ: 82.283 ± 0.003°
• Cell volume: 2129.8 ± 0.2 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 significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes