Information card for entry 2018234

Structure parameters

• Chemical name: Bis(μ-5-carboxybenzene-1,3-dicarboxylato- κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]
• Formula: C30 H20 N8 O12 Zn2
• Calculated formula: C30 H20 N8 O12 Zn2
• SMILES: c12cc(cc(c2)C(=O)O[Zn]2([n]3c([nH]cc3)c3[n]2cc[nH]3)OC(=O)c2cc(cc(c2)C(=O)O)C(=O)O[Zn]2([n]3c([nH]cc3)c3[n]2cc[nH]3)OC1=O)C(=O)O
• Title of publication: Bis(μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)bis[(2,2'-bi-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^,<i>N</i>^3'^)zinc]
• Authors of publication: Jiang, Yun-Liang; Liu, Qing-Yan; Wang, Yu-Ling
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m297 - m300
• a: 8.0458 ± 0.0004 Å
• b: 8.0633 ± 0.0004 Å
• c: 12.2332 ± 0.0007 Å
• α: 106.526 ± 0.001°
• β: 97.606 ± 0.001°
• γ: 93.861 ± 0.001°
• Cell volume: 749.54 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes