Information card for entry 2020948

Structure parameters

• Chemical name: Poly[diaquapentakis[μ-5,5'-bis(pyridin-4-yl)-2,2'-bithiophene-κ^2^<i>N</i>:<i>N</i>']bis(nitrato-κ^2^<i>O</i>,<i>O</i>')tetrakis(μ~3~-4,4'-oxydibenzoato)-κ^10^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''';κ^6^<i>O</i>:<i>O</i>':<i>O</i>''-pentacadmium(II)]
• Formula: C152 H110 Cd5 N14 O30 S10
• Calculated formula: C146 H96 Cd5 N12 O28 S10
• Title of publication: A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand
• Authors of publication: Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 14.444 ± 0.004 Å
• b: 17.342 ± 0.004 Å
• c: 19.351 ± 0.005 Å
• α: 68.318 ± 0.004°
• β: 70.484 ± 0.003°
• γ: 75.994 ± 0.003°
• Cell volume: 4206.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes