Information card for entry 2021214

Structure parameters

• Chemical name: Poly[[μ~2~-1,6-bis(pyridin-3-yl)-1,3,5-hexatriene-κ^2^<i>N</i>:<i>N</i>'](μ~3~-naphthalene-1,4-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4'^)zinc(II)]
• Formula: C28 H20 N2 O4 Zn
• Calculated formula: C28 H20 N2 O4 Zn
• Title of publication: Construction and photoluminescence properties of a three-dimensional Zn^II^ coordination network based on naphthalene-1,4-dicarboxylic acid and 1,6-bis(pyridin-3-yl)-1,3,5-hexatriene
• Authors of publication: Zhou, Qian-Kun; Wang, Lin; Xu, Yun; Li, Ni-Ya
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1053 - 1057
• a: 11.16 ± 0.002 Å
• b: 12.917 ± 0.003 Å
• c: 18.551 ± 0.006 Å
• α: 90°
• β: 119.79 ± 0.02°
• γ: 90°
• Cell volume: 2320.8 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes