Information card for entry 2021208

Structure parameters

• Chemical name: Poly[[bis[μ~6~-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^4^:<i>O</i>^4'^]bis(1,10-phenanthroline-κ^2^<i>N</i>^,<i>N</i>')tricobalt(II)] 0.72-hydrate]
• Formula: C54 H31.42 Co3 N4 O14.71
• Calculated formula: C54 H31.444 Co3 N4 O14.722
• Title of publication: A thermally stable three-dimensional cobalt(II) coordination polymer based on the V-shaped ligand 4-(4-carboxyphenoxy)isophthalate
• Authors of publication: Li, Shao-Dong; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• a: 18.889 ± 0.018 Å
• b: 20.431 ± 0.017 Å
• c: 13.36 ± 0.012 Å
• α: 90°
• β: 110.73 ± 0.03°
• γ: 90°
• Cell volume: 4822 ± 8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1576
• 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