Information card for entry 2221399

Structure parameters

• Chemical name: (3-Carboxy-5-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)bis[2-(2- pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]zinc(II) monohydrate
• Formula: C32 H24 N6 O8 S Zn
• Calculated formula: C32 H24 N6 O8 S Zn
• SMILES: [Zn]123([n]4c5ccccc5[nH]c4c4[n]1cccc4)([n]1c4ccccc4[nH]c1c1[n]2cccc1)[O]=C(c1cc(cc(S(=O)(=O)[O-])c1)C(=O)O)O3.O
• Title of publication: (3-Carboxy-5-sulfonatobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)bis[2-(2-pyridyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]zinc(II) monohydrate
• Authors of publication: Chen, Li-Juan; Lin, Shen; Yang, Ming-Xing; Wu, Xiao-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m413 - m414
• a: 11.086 ± 0.004 Å
• b: 12.695 ± 0.005 Å
• c: 13.347 ± 0.004 Å
• α: 63.187 ± 0.01°
• β: 68.376 ± 0.013°
• γ: 87.122 ± 0.017°
• Cell volume: 1543.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes