Information card for entry 7221808

Structure parameters

• Chemical name: pentaaqua-tris(bis(trifluoromethylsulfonyl)imide-O)-erbium(iii)
• Formula: C6 H10 Er F18 N3 O17 S6
• Calculated formula: C6 H10 Er F18 N3 O17 S6
• SMILES: [Er]([OH2])([OH2])([OH2])([OH2])([OH2])(OS(=O)(C(F)(F)F)=NS(=O)(=O)C(F)(F)F)(OS(=O)(C(F)(F)F)=NS(=O)(=O)C(F)(F)F)OS(C(F)(F)F)(=O)=NS(=O)(=O)C(F)(F)F
• Title of publication: Crystal structures of hydrated rare-earth bis(trifluoromethylsulfonyl)imide salts
• Authors of publication: Vander Hoogerstraete, Tom; Brooks, Neil R.; Onghena, Bieke; Van Meervelt, Luc; Binnemans, Koen
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 7142
• a: 12.8788 ± 0.0004 Å
• b: 18.2797 ± 0.0007 Å
• c: 12.8814 ± 0.0005 Å
• α: 90°
• β: 94.524 ± 0.003°
• γ: 90°
• Cell volume: 3023.1 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No