Information card for entry 2207705

Structure parameters

• Chemical name: catena-Poly[[(1,10-phenanthroline-κ^2^N,N')zinc(II)]-μ-3- carboxylatophenoxyacetato-κ^2^O,O':κ^2^O'',O''']
• Formula: C21 H14 N2 O5 Zn
• Calculated formula: C21 H14 N2 O5 Zn
• SMILES: [Zn]123([O]=C(O1)c1cccc(OCC(=O)[O-])c1)([n]1cccc4ccc5ccc[n]2c5c14)[O]=C(O3)COc1cccc(C2=[O][Zn]3(O2)[n]2cccc4ccc5ccc[n]3c5c24)c1
• Title of publication: <i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]-μ-3-carboxylatophenoxyacetato-κ^2^<i>O</i>,<i>O</i>':κ^2^<i>O</i>'',<i>O</i>''']
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2520 - m2522
• a: 7.6164 ± 0.0015 Å
• b: 15.542 ± 0.003 Å
• c: 15.186 ± 0.003 Å
• α: 90°
• β: 94.6 ± 0.03°
• γ: 90°
• Cell volume: 1791.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes