Information card for entry 2022510

Structure parameters

• Chemical name: Poly[[diaqua[μ~3~-(<i>S</i>)-2-(benzylamino)succinato-κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^]cadmium(II)] monohydrate]
• Formula: C11 H17 Cd N O7
• Calculated formula: C11 H17 Cd N O7
• Title of publication: A new two-dimensional folding sheet-like coordination polymer assembled from cadmium(II) and (<i>S</i>)-2-(benzylamino)succinic acid: synthesis, structure and properties
• Authors of publication: Liu, Yan; Zhang, Hong-Tao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 12
• Pages of publication: 770 - 776
• a: 5.8737 ± 0.0009 Å
• b: 8.3842 ± 0.0013 Å
• c: 13.788 ± 0.002 Å
• α: 90°
• β: 95.025 ± 0.002°
• γ: 90°
• Cell volume: 676.4 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes