Information card for entry 8103095

Structure parameters

• Formula: C16 H24 N3 O15 Sm
• Calculated formula: C16 H24 N3 O15 Sm
• SMILES: [Sm]1234(OC(=O)c5[n]4c(cc(O)c5)C(=O)O1)(OC(=O)c1[n]3c(cc(O)c1)C(=O)O2)([OH2])([OH2])[OH2].O.O.[NH2+](C)C
• Title of publication: Crystal structure of dimethylammonium triaquabis(4-hydroxypyridine-2,6-dicarboxylato)samarium(III) dihydrate, [C2H8N][Sm(H2O)3(C7H3NO5)2] · 2H2O
• Authors of publication: Xun Feng; Jing Liu; Tie-Fu Li; Peng-Peng Lei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 80
• a: 10.276 ± 0.002 Å
• b: 10.403 ± 0.002 Å
• c: 11.951 ± 0.002 Å
• α: 92.358 ± 0.002°
• β: 91.168 ± 0.002°
• γ: 117.31 ± 0.002°
• Cell volume: 1133.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No