Information card for entry 2021235

Structure parameters

• Common name: [Zn(4-pbc)(HCOO)]~<i>n</i>~
• Chemical name: Poly[(μ~2~-formato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)[μ~2~-4-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']zinc(II)]
• Formula: C13 H9 N O4 Zn
• Calculated formula: C13 H9 N O4 Zn
• Title of publication: A new Zn^II^ coordination polymer based on 4-(pyridin-4-yl)benzoic and formic acids: <i>in-situ</i> synthesis, crystal structure and luminescence properties
• Authors of publication: Luo, Fuming; Tang, Guodong; Zhang, Jinfang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1133 - 1137
• a: 12.8902 ± 0.0008 Å
• b: 21.9049 ± 0.0013 Å
• c: 8.8786 ± 0.0005 Å
• α: 90°
• β: 109.699 ± 0.003°
• γ: 90°
• Cell volume: 2360.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes