Information card for entry 2007756

Structure parameters

• Chemical name: catena-tris(μ-Glycine)-scandium(III) tri-perchlorate
• Formula: C6 H15 Cl3 N3 O18 Sc
• Calculated formula: C6 H15 Cl3 N3 O18 Sc
• SMILES: [Sc]12[O]=C(C[NH3+])O[Sc]([O]=C(O1)C[NH3+])([O]=C(O2)C[NH3+])(OC(=O)C[NH3+])(OC(=O)C[NH3+])OC(=O)C[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Tris(glycine)scandium(III) Triperchlorate: a Space-Group Correction
• Authors of publication: Wang, Zhe-Ming; Lu, Zhi; Liao, Chun-Sheng; Yan, Chun-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: IUC9800050
• a: 19.048 ± 0.0009 Å
• b: 19.048 ± 0.0009 Å
• c: 9.053 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2844.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes