Information card for entry 2237724

Structure parameters

• Chemical name: [(2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^](ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)
• Formula: C6 H16 N3 O14 Sm
• Calculated formula: C6 H16 N3 O14 Sm
• SMILES: [Sm]12345([OH][C@@H]([C@@H]([OH]1)CO)C[OH]2)([O]=N(=O)O4)([O]=N(=O)O5)([O]=N(=O)O3)[OH]CC.[Sm]12345([OH][C@H]([C@H]([OH]1)CO)C[OH]2)([O]=N(=O)O4)([O]=N(=O)O5)([O]=N(=O)O3)[OH]CC
• Title of publication: [(2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^](ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)
• Authors of publication: Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Xu, Yi-Zhuang; Wu, Jin-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m182 - m183
• a: 7.8537 ± 0.0016 Å
• b: 12.875 ± 0.003 Å
• c: 15.252 ± 0.003 Å
• α: 90°
• β: 100.92 ± 0.03°
• γ: 90°
• Cell volume: 1514.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes