Information card for entry 2241910

Structure parameters

• Chemical name: Poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc]
• Formula: C25 H16 Cl N4 O4 Zn
• Calculated formula: C25 H16 Cl N4 O4 Zn
• SMILES: [Zn]1(Cl)([n]2cccc(c2)c2cc(c3ccncc3)nc(c2)c2ccncc2)OC(=O)c2cc(C(=O)O)c(C(=O)O[Zn](Cl)[n]3cccc(c3)c3cc(c4cc[n](cc4)[Zn](Cl)([n]4cccc(c4)c4cc(c5ccncc5)nc(c4)c4ccncc4)OC(=O)c4c(cc(C(=O)O[Zn](Cl)[n]5cccc(c5)c5cc(c6cc[n]1cc6)nc(c5)c1ccncc1)c(c4)C(=O)O)C(=O)O)nc(c3)c1ccncc1)cc2C(=O)O
• Title of publication: Crystal structure of poly[dichlorido(μ-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^)bis[μ-4'-(pyridin-3-yl)-4,2':6',4''-terpyridine-κ^2^<i>N</i>^1^:<i>N</i>^4'^]dizinc]
• Authors of publication: Tian, Yue; Xu, Sha-Sha; Su, Jian; Zhang, Yang; Zhao, Shao-Shuai; Tian, Yu-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1663 - 1665
• a: 8.6557 ± 0.0006 Å
• b: 12.1432 ± 0.0008 Å
• c: 12.5842 ± 0.0009 Å
• α: 61.396 ± 0.001°
• β: 74.216 ± 0.001°
• γ: 75.411 ± 0.001°
• Cell volume: 1105.83 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes