Information card for entry 2020301

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dibromidozinc(II)]-μ-[3,6-bis(pyridin-4-yl)phenanthrene-9,10-dione-κ^2^<i>N</i>:<i>N</i>']]
• Formula: C24 H14 Br2 N2 O2 Zn
• Calculated formula: C24 H14 Br2 N2 O2 Zn
• SMILES: Br[Zn](Br)([n]1ccc(cc1)c1ccc2c(c1)c1c(C(=O)C2=O)ccc(c1)c1cc[n](cc1)[Zn](Br)Br)[n]1ccc(cc1)c1ccc2c(c3c(ccc(c4ccncc4)c3)C(=O)C2=O)c1
• 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: 10.169 ± 0.003 Å
• b: 7.858 ± 0.002 Å
• c: 13.818 ± 0.004 Å
• α: 90°
• β: 105.757 ± 0.004°
• γ: 90°
• Cell volume: 1062.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No