Information card for entry 2201163

Structure parameters

• Chemical name: catena-Poly[[[diaqualanthanum(III)]-tri-μ-glycinato] trichloride monohydrate]
• Formula: C6 H21 Cl3 La N3 O9
• Calculated formula: C6 H21 Cl3 La N3 O9
• SMILES: [La]12(OC(=O)C[NH3+])(OC(=O)C[NH3+])(OC(=O)C[NH3+])([OH2])([OH2])[O]=C(C[NH3+])O[La]([O]=C(C[NH3+])O1)([O]=C(C[NH3+])O2)([OH2])[OH2].[Cl-].[Cl-].O.[Cl-].[Cl-].[Cl-].O.[Cl-]
• Title of publication: <i>catena</i>-Poly[[[diaqualanthanum(III)]-tri-μ-glycinato] trichloride monohydrate]
• Authors of publication: Gao, Sheng-Li; Li, Yi-Zhi; Ren, Fei; Shi, Qi-Zhen; Wang, Liu-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m234 - m236
• a: 4.798 ± 0.001 Å
• b: 12.094 ± 0.001 Å
• c: 30.974 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes