Information card for entry 2200773

Structure parameters

• Chemical name: Diaquabis(4-nitrobenzoato)zinc(II)
• Formula: C14 H12 N2 O10 Zn
• Calculated formula: C14 H12 N2 O10 Zn
• SMILES: C(=O)(O[Zn]([OH2])(OC(=O)c1ccc(N(=O)=O)cc1)[OH2])c1ccc(N(=O)=O)cc1
• Title of publication: Diaquabis(4-nitrobenzoato)zinc(II): a redetermination
• Authors of publication: Necefoglu, Hacali; Clegg, William; Scott, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m472 - m474
• a: 26.519 ± 0.004 Å
• b: 5.1011 ± 0.0009 Å
• c: 12.143 ± 0.002 Å
• α: 90°
• β: 110.019 ± 0.004°
• γ: 90°
• Cell volume: 1543.4 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes