Information card for entry 2237577

Structure parameters

• Chemical name: (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>')holmium(III)
• Formula: C6 H16 Ho N3 O14
• Calculated formula: C6 H16 Ho N3 O14
• SMILES: [Ho]12345([OH]C[C@@H]([OH]1)[C@@H]([OH]2)CO)([OH]CC)([O]=N(O3)=O)([O]=N(=O)[O]4)[O]=N(=O)O5.[Ho]12345([OH]C[C@H]([OH]1)[C@H]([OH]2)CO)([OH]CC)([O]=N(O3)=O)([O]=N(=O)[O]4)[O]=N(=O)O5
• Title of publication: (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>')holmium(III)
• Authors of publication: Hua, Xiao-Hui; Xue, Jun-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: 3
• Pages of publication: m162 - m163
• a: 7.7501 ± 0.0016 Å
• b: 12.783 ± 0.003 Å
• c: 15.164 ± 0.003 Å
• α: 90°
• β: 100.35 ± 0.03°
• γ: 90°
• Cell volume: 1477.8 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes