Information card for entry 2008906

Structure parameters

• Chemical name: Ammonium di-aquo ethylenediaminetetraacetate scandiumate trihydrate.
• Formula: C10 H26 N3 O13 Sc
• Calculated formula: C10 H26 N3 O13 Sc
• SMILES: [Sc]12345([OH2])([OH2])OC(=O)C[N]1(CC(=O)O2)CC[N]3(CC(=O)O4)CC(=O)O5.O.O.O.[NH4+]
• Title of publication: Ammonium diaqua(ethylenediaminetetraacetato)scandium(III) trihydrate
• Authors of publication: Zhang, Ya-Wen; Wang, Zhe-Ming; Jia, Jiang-Tao; Liao, Chun-Sheng; Yan, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1418 - 1420
• a: 12.6512 ± 0.001 Å
• b: 8.708 ± 0.0006 Å
• c: 17.0124 ± 0.0012 Å
• α: 90°
• β: 106.314 ± 0.006°
• γ: 90°
• Cell volume: 1798.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No