Information card for entry 2207609

Structure parameters

• Common name: Zinc acetylenedicarboxylate dihydrate
• Chemical name: Poly[diaqua-μ~4~-acetylenedicarboxylato-zinc(II)]
• Formula: C4 H4 O6 Zn
• Calculated formula: C4 H4 O6 Zn
• SMILES: C(=O)([O-])C#CC(=O)[O-].[Zn+2].O.O
• Title of publication: Poly[diaqua-μ~4~-acetylenedicarboxylato-zinc(II)]
• Authors of publication: Stein, Irena; Ruschewitz, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2680 - m2682
• a: 13.245 ± 0.003 Å
• b: 7.223 ± 0.002 Å
• c: 7.649 ± 0.002 Å
• α: 90°
• β: 122.66 ± 0.01°
• γ: 90°
• Cell volume: 616.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes