Information card for entry 2219691

Structure parameters

• Chemical name: Poly[aqua[μ~3~-N'-(carboxymethyl)ethylenediamine-N,N,N'-triacetato] samarium(III)]
• Formula: C10 H15 N2 O9 Sm
• Calculated formula: C10 H15 N2 O9 Sm
• SMILES: [Sm]1234567([N](CC(=O)O2)(CC[N]1(CC(=[O]3)O)CC(=O)O5)CC(=O)[O]4[Sm]12345([N](CC(=O)O2)(CC[N]1(CC(=[O]3)O)CC(=[O]5)O[Sm]123589([O]%10[Sm]%11%12%13%14([N](CC(=O)O%12)(CC[N]%11(CC(=[O]%13)O)CC(=[O]%14)O7)CC%10=O)([OH2])[O]8C(=O)C[N]1(CC(=O)O3)CC[N]2(CC(=[O]5)O)CC(=O)O9)[OH2])CC(=O)[O]64)[OH2])[OH2]
• Title of publication: Poly[aqua[μ~3~-<i>N</i>'-(carboxymethyl)ethylenediamine-<i>N</i>,<i>N</i>,<i>N</i>'-triacetato]samarium(III)]
• Authors of publication: Zhou, Guo-Yong; Wu, Gui-Rong; Deng, Zhi-Yong; Chen, Xing-Tian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1348
• a: 6.6506 ± 0.0007 Å
• b: 14.7051 ± 0.0016 Å
• c: 25.967 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes