Information card for entry 2016103

Structure parameters

• Chemical name: catena-poly[[aquazinc(II)]-μ~3~-tyrosinato]
• Formula: C9 H9 N O4 Zn
• Calculated formula: C9 H9 N O4 Zn
• SMILES: [Zn]12([OH2])Oc3ccc(cc3)/C=C3\[NH2][Zn]4([OH2])(OC3=O)[O](c3ccc(cc3)/C=C(\[NH2]1)C(=O)O2)[Zn]12([OH2])[O]4c3ccc(cc3)/C=C3\[NH2][Zn]([OH2])(OC3=O)[O](c3ccc(cc3)/C=C(\[NH2]1)C(=O)O2)
• Title of publication: The one-dimensional chain polymer of aqua(tyrosinato)zinc(II)
• Authors of publication: Dong-Qing Li; Jian Zhou; Xing Liu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m371 - m373
• a: 5.8633 ± 0.0012 Å
• b: 9.681 ± 0.002 Å
• c: 9.772 ± 0.002 Å
• α: 65.336 ± 0.003°
• β: 75.334 ± 0.003°
• γ: 78.44 ± 0.003°
• Cell volume: 484.82 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes