Information card for entry 2022486

Structure parameters

• Chemical name: Poly[aqua[μ~3~-2-(4-carboxyphenoxy)terephthalato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4'^](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]
• Formula: C27 H18 N2 Ni O8
• Calculated formula: C27 H18 N2 Ni O8
• Title of publication: Syntheses, structures and magnetic properties of two Co^II^/Ni^II^ isostructural coordination polymers based on an asymmetric semirigid tricarboxylate ligand
• Authors of publication: Li, Shao-Dong; Su, Feng; Zhou, Cheng-Yong; Hu, Qi-Long; Li, Ya-Qi; Wang, Zhi-Jun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 11.6277 ± 0.0008 Å
• b: 20.8495 ± 0.0014 Å
• c: 11.0075 ± 0.0009 Å
• α: 90°
• β: 113.689 ± 0.002°
• γ: 90°
• Cell volume: 2443.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1464
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1574
• 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