Information card for entry 2012005

Structure parameters

• Common name: Aqua isophthalato zinc(II)
• Chemical name: poly[[aquazinc(II)]-μ-benzene-1,3-dicarboxylato]
• Formula: C8 H6 O5 Zn
• Calculated formula: C8 H6 O5 Zn
• Title of publication: Aqua(benzene-1,3-dicarboxylato)zinc(II)
• Authors of publication: Otto, Thomas J.; Wheeler, Kraig A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 704 - 705
• a: 8.3887 ± 0.0006 Å
• b: 6.0883 ± 0.0005 Å
• c: 16.8795 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 862.09 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes