Information card for entry 2211139

Structure parameters

• Chemical name: Bis[μ-2-(1H-benzoimidazol-2-yl)benzoato-κ^2^N:O]bis{[2-(1H-benzoimidazol- 2-yl)benzoato-κ^2^N,O]zinc(II)}
• Formula: C56 H36 N8 O8 Zn2
• Calculated formula: C56 H36 N8 O8 Zn2
• SMILES: C1(=O)c2c(c3[n](c4ccccc4[nH]3)[Zn]3([n]4c5ccccc5[nH]c4c4ccccc4C(=O)O3)OC(=O)c3c(cccc3)c3[n](c4ccccc4[nH]3)[Zn]3(O1)[n]1c4ccccc4[nH]c1c1ccccc1C(=O)O3)cccc2
• Title of publication: Bis[μ-2-(1<i>H</i>-benzoimidazol-2-yl)benzoato-κ^2^<i>N</i>:<i>O</i>]bis{[2-(1<i>H</i>-benzoimidazol-2-yl)benzoato-κ^2^<i>N</i>,<i>O</i>]zinc(II)}
• Authors of publication: Guang-Bo Che; Jun Sun; Chun-Bo Liu; Zhan-Lin Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3101 - m3103
• a: 12.985 ± 0.003 Å
• b: 8.2142 ± 0.0016 Å
• c: 22.392 ± 0.005 Å
• α: 90°
• β: 95.19 ± 0.03°
• γ: 90°
• Cell volume: 2378.6 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes