Information card for entry 2201037

Structure parameters

• Common name: Dichloro(β-alanine)cadmium(II)
• Chemical name: Dichloro(β-alanine)cadmium(II)
• Formula: C3 H7 Cd Cl2 N O2
• Calculated formula: C3 H7 Cd Cl2 N O2
• SMILES: [Cd]12(Cl)(Cl)(OC(=O)CC[NH3+])[Cl][Cd]([Cl]1)OC(=[O]2)CC[NH3+]
• Title of publication: <i>catena</i>-Poly[[cadmium(II)]-μ-β-alanine-di-μ-chloro]
• Authors of publication: Subha Nandhini, M.; Krishnakumar, R. V.; Sivakumar, K.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m307 - m309
• a: 6.9391 ± 0.001 Å
• b: 12.945 ± 0.002 Å
• c: 7.9714 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 716.04 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes