Information card for entry 2226205

Structure parameters

• Chemical name: Aquabis(1<i>H</i>-benzimidazole-2-carboxylato-κ^2^<i>O</i>,<i>N</i>^3^)zinc(II)
• Formula: C16 H12 N4 O5 Zn
• Calculated formula: C16 H12 N4 O5 Zn
• SMILES: [Zn]12(OC(=O)c3[n]1c1c([nH]3)cccc1)(OC(=O)c1[n]2c2ccccc2[nH]1)[OH2]
• Title of publication: Aquabis(1<i>H</i>-benzimidazole-2-carboxylato-κ^2^<i>O</i>,<i>N</i>^3^)zinc(II)
• Authors of publication: Di, Li Li; Wang, Yue; Lin, Guo Wu; Lu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m610 - m611
• a: 25.9702 ± 0.0015 Å
• b: 10.087 ± 0.0006 Å
• c: 16.7885 ± 0.001 Å
• α: 90°
• β: 129.21 ± 0.03°
• γ: 90°
• Cell volume: 3407.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0594
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes