Information card for entry 2015214

Structure parameters

• Chemical name: catena-Poly[[[diaqua[trans-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-trans- 3-(4-pyridyl)acrylato] dihydrate]
• Formula: C24 H26 N3 O10 Sm
• Calculated formula: C24 H26 N3 O10 Sm
• SMILES: [Sm]1234([O]=C(O1)/C=C/c1ccncc1)(OC(=[O]4)/C=C/c1ccncc1)(OC(=O)/C=C/c1ccncc1)([OH2])([OH2])[O]1C(/C=C/c4ccncc4)=O[Sm]14([OH2])([OH2])(OC(=[O]4)/C=C/c1ccncc1)[O]2C(/C=C/c1ccncc1)=[O]3.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua[<i>trans</i>-3-(4-pyridyl)acrylato]samarium(III)]-di-μ-<i>trans</i>-3-(4-pyridyl)acrylato] dihydrate]
• Authors of publication: Zhu, Yan-Jun; Chen, Jin-Xiang; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m491 - m493
• a: 8.2459 ± 0.0008 Å
• b: 12.6631 ± 0.0015 Å
• c: 14.3286 ± 0.0016 Å
• α: 111.782 ± 0.002°
• β: 98.825 ± 0.002°
• γ: 100.605 ± 0.002°
• Cell volume: 1324.7 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes