Information card for entry 2218931

Structure parameters

• Chemical name: catena-Poly[cadmium(II)-(μ-3-ammonio-3-phenylpropanoato- κ^2^<i>O</i>:<i>O</i>')-di-μ-chlorido]
• Formula: C9 H11 Cd Cl2 N O2
• Calculated formula: C9 H11 Cd Cl2 N O2
• SMILES: [Cd]12(Cl)(Cl)([Cl][Cd]([Cl]1)OC(=[O]2)C[C@H]([NH3+])c1ccccc1)OC(=O)C[C@H]([NH3+])c1ccccc1.[Cd]12(Cl)(Cl)([Cl][Cd]([Cl]1)OC(=[O]2)C[C@@H]([NH3+])c1ccccc1)OC(=O)C[C@@H]([NH3+])c1ccccc1
• Title of publication: <i>catena</i>-Poly[cadmium(II)-(μ-3-ammonio-3-phenylpropanoato-κ^2^<i>O</i>:<i>O</i>')-di-μ-chlorido]
• Authors of publication: Qu, Zhi-Rong; Li, Xiu-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1085
• a: 11.879 ± 0.002 Å
• b: 6.9364 ± 0.0014 Å
• c: 14.072 ± 0.003 Å
• α: 90°
• β: 110.26 ± 0.03°
• γ: 90°
• Cell volume: 1087.8 ± 0.4 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: 0.0214
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes