Information card for entry 2017959

Structure parameters

• Chemical name: Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]
• Formula: C10 H8 O6 Zn
• Calculated formula: C10 H8 O6 Zn
• SMILES: [Zn+2].c1(C(=O)[O-])c(OC)cc(C(=O)[O-])c(OC)c1
• Title of publication: Poly[(μ~4~-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres
• Authors of publication: Böhle, Tony; Eissmann, Frank; Weber, Edwin; Mertens, Florian O. R. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m5 - m8
• a: 16.5936 ± 0.0006 Å
• b: 8.4438 ± 0.0003 Å
• c: 7.4838 ± 0.0003 Å
• α: 90°
• β: 97.649 ± 0.002°
• γ: 90°
• Cell volume: 1039.25 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes