Information card for entry 2202486

Structure parameters

• Common name: catena-Poly[[dicadmium(II)]-μ-DL-alanine-di-μ-chloro-monohydrato]
• Chemical name: catena-poly[[[dicadmium(II)]-μ-DL-alanine-di-μ-chloro] monohydrate]
• Formula: C3 H9 Cd Cl2 N O3
• Calculated formula: C3 H7 Cd Cl2 N O3
• SMILES: [Cd]12[Cl][Cd]([Cl]1)([O]=C(O2)[C@H]([NH3+])C)(Cl)(Cl)OC(=O)[C@@H]([NH3+])C.O.O
• Title of publication: A hydrated complex of <small>DL</small>-alanine with cadmium chloride
• Authors of publication: M.Subha Nandhini; R.V. Krishnakumar; S.Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m756 - m758
• a: 7.119 ± 0.0015 Å
• b: 14.408 ± 0.003 Å
• c: 8.6396 ± 0.0013 Å
• α: 90°
• β: 107.98 ± 0.02°
• γ: 90°
• Cell volume: 842.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes