Information card for entry 2217716

Structure parameters

• Chemical name: Diaquabis(4-bromobenzoato-κ^2^O,O')zinc(II)
• Formula: C14 H12 Br2 O6 Zn
• Calculated formula: C14 H12 Br2 O6 Zn
• SMILES: Brc1ccc(C2=[O][Zn]3(O2)(OC(=[O]3)c2ccc(Br)cc2)([OH2])[OH2])cc1
• Title of publication: Diaquabis(4-bromobenzoato-κ^2^<i>O</i>,<i>O</i>')zinc(II)
• Authors of publication: Hökelek, Tuncer; Çaylak, Nagihan; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: m458 - m459
• a: 26.9067 ± 0.0003 Å
• b: 5.0704 ± 0.0004 Å
• c: 12.0371 ± 0.0005 Å
• α: 90°
• β: 104.95 ± 0.02°
• γ: 90°
• Cell volume: 1586.6 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.102
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes