Information card for entry 2217240

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aquacopper(II)]-μ-[(<i>S</i>)-<i>N</i>-(2-hydroxybenzyl)- L-aspartato]]
• Formula: C11 H13 Cu N O6
• Calculated formula: C11 H13 Cu N O6
• SMILES: [Cu]12(OC(=O)[C@@H]([NH]1Cc1c(O)cccc1)CC(=O)O2)([OH2])[O]=C1C[C@@H]2[NH]([Cu](OC2=O)O1)Cc1c(O)cccc1.O
• Title of publication: <i>catena</i>-Poly[[aquacopper(II)]-μ-[(<i>S</i>)-<i>N</i>-(2-hydroxybenzyl)-<small>L</small>-aspartato]]
• Authors of publication: Zhang, Lei; Sun, Bai-Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m143 - m143
• a: 5.9107 ± 0.0013 Å
• b: 8.826 ± 0.002 Å
• c: 11.903 ± 0.003 Å
• α: 90°
• β: 93.787 ± 0.019°
• γ: 90°
• Cell volume: 619.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes