Information card for entry 2217159

Structure parameters

• Chemical name: catena-Poly[[[tetraaquasamarium(III)]-di-μ-isoniconitinato-κ^4^O:O'] chloride]
• Formula: C12 H16 Cl N2 O8 Sm
• Calculated formula: C12 H16 Cl N2 O8 Sm
• SMILES: [Sm]1([OH2])([OH2])([OH2])([OH2])[O]=C(c2ccncc2)O[Sm]([O]=C(O1)c1ccncc1)([OH2])([OH2])([OH2])([OH2])(OC(=O)c1ccncc1)OC(=O)c1ccncc1.[Cl-].[Cl-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquasamarium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] chloride]
• Authors of publication: Wu, Ke-Jun; Cai, Li-Zhen; Xu, Gang; Zhou, Guo-Wei; Guo, Guo-Cong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m56 - m56
• a: 8.9713 ± 0.0004 Å
• b: 19.6698 ± 0.0009 Å
• c: 10.1459 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1790.38 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes