Information card for entry 2214564

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aquazinc(II)]-μ-<i>N</i>-(3-carboxy-2- oxidobenzylidene)glycinato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>''] monohydrate]
• Formula: C10 H11 N O7 Zn
• Calculated formula: C10 H11 N O7 Zn
• SMILES: [Zn]12([N](=Cc3c(O1)c(ccc3)C(=O)O)CC(=O)O2)([OH2])[O]=C1O[Zn]2([N](=Cc3c(O2)c(ccc3)C(=O)O)C1)[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[aquazinc(II)]-μ-<i>N</i>-(3-carboxy-2-oxidobenzylidene)glycinato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>''] monohydrate]
• Authors of publication: Wu, Zhi-Hong; Zhou, Ying-Hua; Cai, Jin-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2223 - m2224
• a: 8.3985 ± 0.0009 Å
• b: 6.873 ± 0.0007 Å
• c: 19.637 ± 0.002 Å
• α: 90°
• β: 90.781 ± 0.002°
• γ: 90°
• Cell volume: 1133.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0302
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes