Information card for entry 2021819

Structure parameters

• Chemical name: Poly[[di-μ-aqua-bis{μ~4~-3,3'-[(5-carboxylato-1,3-phenylene)bis(oxy)]dibenzoato-κ^5^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^3^:<i>O</i>^5^:<i>O</i>^5'^}bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')tricobalt(II)] diethylamine disolvate tetrahydrate]
• Formula: C70 H64 Co3 N6 O22
• Calculated formula: C66 H42 Co3 N4 O18
• Title of publication: Structural diversity, magnetic properties and luminescence of Ni^II^, Co^II^ and Zn^II^ coordination polymers derived from 3,3'-[(5-carboxy-1,3-phenylene)bis(oxy)]dibenzoic acid and 1,10-phenanthroline
• Authors of publication: Yang, Dong-Dong; Lu, Li-Ping; Zhu, Miao-Li
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 27.9723 ± 0.0008 Å
• b: 15.9725 ± 0.0005 Å
• c: 19.7372 ± 0.001 Å
• α: 90°
• β: 132.662 ± 0.0007°
• γ: 90°
• Cell volume: 6484.7 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes