Information card for entry 2228231

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato- κ^2^<i>O</i>,<i>O</i>']cerium(III)}-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>'] 4,4'-bipyridine disolvate monohydrate]
• Formula: C44 H43 Ce N4 O12
• Calculated formula: C44 H43 Ce N4 O12
• SMILES: [Ce]1234([O]=C(O1)Cc1ccc(O)cc1)([OH2])([OH2])([O]=C(O2)Cc1ccc(O)cc1)(OC(=O)Cc1ccc(O)cc1)[O]=C([O]3[Ce]12([O]=C(O1)Cc1ccc(O)cc1)([OH2])([OH2])[O]=C([O]42)Cc1ccc(O)cc1)Cc1ccc(O)cc1.O.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1.O.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1
• Title of publication: <i>catena</i>-Poly[[{diaqua[2-(4-hydroxyphenyl)acetato-κ^2^<i>O</i>,<i>O</i>']cerium(III)}-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>'] 4,4'-bipyridine disolvate 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: m1678
• a: 9.0793 ± 0.0002 Å
• b: 12.8371 ± 0.0003 Å
• c: 19.5796 ± 0.0004 Å
• α: 78.534 ± 0.001°
• β: 76.716 ± 0.001°
• γ: 73.121 ± 0.001°
• Cell volume: 2103.82 ± 0.08 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: 0.0319
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes