Information card for entry 2225303

Structure parameters

• Chemical name: Tetraaquabis(3-fluoropyridine-4-carboxylato-κ<i>N</i>)zinc(II) dihydrate
• Formula: C12 H18 F2 N2 O10 Zn
• Calculated formula: C12 H18 F2 N2 O10 Zn
• SMILES: c1c(c(cc[n]1[Zn]([OH2])([OH2])([n]1cc(c(cc1)C(=O)[O-])F)([OH2])[OH2])C(=O)[O-])F.O.O
• Title of publication: Tetraaquabis(3-fluoropyridine-4-carboxylato-κ<i>N</i>)zinc(II) dihydrate
• Authors of publication: Fleming, Jonetha; Kelley, Jennifer; Peterson, Jr, LeRoy; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m244 - m245
• a: 6.6042 ± 0.0004 Å
• b: 19.1953 ± 0.001 Å
• c: 6.8697 ± 0.0004 Å
• α: 90°
• β: 99.225 ± 0.001°
• γ: 90°
• Cell volume: 859.61 ± 0.09 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes