Information card for entry 2226076

Structure parameters

• Chemical name: <i>catena</i>-Poly[zinc(II)-bis[μ-2-(2,4-dichlorophenoxy)acetato]]
• Formula: C16 H10 Cl4 O6 Zn
• Calculated formula: C16 H10 Cl4 O6 Zn
• SMILES: [Zn]12([O]=C(COc3c(Cl)cc(Cl)cc3)O[Zn]([O]=C(COc3c(Cl)cc(Cl)cc3)O1)[O]=C(COc1c(cc(cc1)Cl)Cl)O[Zn]1([O]=C(O[Zn]([O]=C(COc3c(cc(cc3)Cl)Cl)O2)[O]=C(O1)COc1c(Cl)cc(Cl)cc1)COc1c(Cl)cc(Cl)cc1)OC(=O)COc1c(cc(cc1)Cl)Cl)OC(=O)COc1c(cc(cc1)Cl)Cl
• Title of publication: <i>catena</i>-Poly[zinc(II)-bis[μ-2-(2,4-dichlorophenoxy)acetato]]
• Authors of publication: Liu, Shi-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m621
• a: 4.7322 ± 0.001 Å
• b: 10.459 ± 0.002 Å
• c: 18.979 ± 0.004 Å
• α: 79.34 ± 0.002°
• β: 89.838 ± 0.002°
• γ: 82.847 ± 0.003°
• Cell volume: 915.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes