Information card for entry 2230814

Structure parameters

• Chemical name: <i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>]
• Formula: C24 H16 N2 O4 Zn
• Calculated formula: C24 H16 N2 O4 Zn
• SMILES: [Zn]1OC(=O)c2cc(ccc2)c2c[n](ccc2)[Zn](OC(=O)c2cccc(c2)c2c[n]1ccc2)(n1cccc(c1)c1cc(C(=O)[O-])ccc1)OC(=O)c1cc(ccc1)c1cnccc1
• Title of publication: <i>catena</i>-Poly[zinc(II)-bis[μ~2~-3-(3-pyridyl)benzoato]-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>N</i>:<i>O</i>]
• Authors of publication: Tang, Long; Wu, Ya-Pan; Fu, Feng; Hou, Xiang-Yang; Wei, Qing-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m894
• a: 10.0512 ± 0.0008 Å
• b: 12.0809 ± 0.001 Å
• c: 17.4872 ± 0.0014 Å
• α: 90°
• β: 105.631 ± 0.001°
• γ: 90°
• Cell volume: 2044.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes