Information card for entry 2020780

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(2,3,4,5,6-pentafluorobenzoato-κ<i>O</i>)cadmium(II)]-μ-2,3,4,5,6-pentafluorobenzoato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C24 H10 Cd F10 N2 O5
• Calculated formula: C24 H10 Cd F10 N2 O5
• SMILES: [Cd]1(OC(=O)c2c(F)c(F)c(F)c(F)c2F)(OC(=O)c2c(F)c(F)c(F)c(F)c2F)([OH2])([n]2ccccc2c2[n]1cccc2)[O]=C(O[Cd]1(OC(=O)c2c(F)c(F)c(F)c(F)c2F)([OH2])[n]2ccccc2c2[n]1cccc2)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Two cadmium(II) fluorous coordination compounds tuned by different bipyridines
• Authors of publication: Kong, Ya-Jie; Li, Peng; Han, Li-Juan; Fan, Lu-Tong; Li, Peng-Peng; Yin, Shuang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 5
• Pages of publication: 424 - 429
• a: 12.9134 ± 0.0017 Å
• b: 21.035 ± 0.003 Å
• c: 9.1946 ± 0.0012 Å
• α: 90°
• β: 93.696 ± 0.002°
• γ: 90°
• Cell volume: 2492.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0438
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes