Information card for entry 2221108

Structure parameters

• Chemical name: Diaquabis(5-fluoro-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II)
• Formula: C14 H12 F2 O8 Zn
• Calculated formula: C14 H12 F2 O8 Zn
• SMILES: C(=O)(c1c(ccc(c1)F)O)O[Zn](OC(=O)c1c(ccc(c1)F)O)([OH2])[OH2]
• Title of publication: Diaquabis(5-fluoro-2-hydroxybenzoato-κ<i>O</i>^1^)zinc(II)
• Authors of publication: Rishmawi, Diana; Kelley, Jennifer; Smith, Mark D.; Peterson, Jr, LeRoy; Loye, Hans-Conrad zur
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m331
• a: 15.3096 ± 0.001 Å
• b: 5.4706 ± 0.0004 Å
• c: 17.7741 ± 0.0012 Å
• α: 90°
• β: 91.674 ± 0.001°
• γ: 90°
• Cell volume: 1487.99 ± 0.18 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes