Information card for entry 2019184

Structure parameters

• Chemical name: Poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]
• Formula: C20 H23 Cu N3 O9
• Calculated formula: C20 H23 Cu N3 O9
• SMILES: [Cu]1([n]2ccc(c3ccncc3)cc2)(OC(=O)C)([O](C(=O)C)[Cu]([O]1C(=O)C)(OC(=O)C)([n]1ccc(c2ccncc2)cc1)[n]1ccc(cc1)c1cc[n](cc1)[Cu]1([O]2C(=O)C)OC(=O)C)[n]3ccc(cc3)c3cc[n](cc3)[Cu]2([O]1C(=O)C)OC(=O)C.c1(ccc(cc1)N(=O)=O)O.O.O.c1(ccc(cc1)N(=O)=O)O.O.O.c1(ccc(cc1)N(=O)=O)O.O.O.c1(ccc(cc1)N(=O)=O)O.O.O
• Title of publication: The double-stranded ladder-like structure of poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]
• Authors of publication: Zamisa, Sizwe J.; Ndungu, Patrick; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1100 - 1103
• a: 8.5997 ± 0.0005 Å
• b: 11.1264 ± 0.0006 Å
• c: 11.6962 ± 0.0006 Å
• α: 85.02 ± 0.004°
• β: 85.72 ± 0.004°
• γ: 74.647 ± 0.005°
• Cell volume: 1073.57 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No