Information card for entry 2020302

Structure parameters

• Chemical name: Poly[[bromido[μ~3~-10-hydroxy-3,6-bis(pyridin-4-yl)phenanthren-9-olato-κ^3^<i>N</i>:<i>N</i>':<i>O</i>^9^]zinc(II)] hemihydrate]
• Formula: C24 H16 Br N2 O2.5 Zn
• Calculated formula: C24 H16 Br N2 O2.5 Zn
• Title of publication: Novel one- and two-dimensional Zn^II^ coordination polymers based on a versatile 3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione ligand
• Authors of publication: Jin, Guoxia; Wang, Jia; Wu, Qidi; Han, Zheng; Ma, Jianping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• a: 23.138 ± 0.009 Å
• b: 10.921 ± 0.004 Å
• c: 16.49 ± 0.007 Å
• α: 90°
• β: 108.931 ± 0.007°
• γ: 90°
• Cell volume: 3941 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1413
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No