Information card for entry 2212083

Structure parameters

• Chemical name: Bis(μ-2,2'-bipyridin-6-olato)-κ^3^N,N':O;κ^3^O:N,N'-dicopper(I) dichlorocopper(II)
• Formula: C20 H14 Cl2 Cu3 N4 O2
• Calculated formula: C20 H14 Cl2 Cu3 N4 O2
• SMILES: c1cccc2[n]1[Cu]13[Cu]4([n]5ccccc5c5cccc([n]45)O3)Oc3cccc2[n]13.[Cl-][Cu]Cl
• Title of publication: Bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;κ^3^<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) dichlorocuprate(II)
• Authors of publication: Guo, Hong-Xu; Rao, Zhi-Ming; Wang, Qing-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m637 - m638
• a: 7.3583 ± 0.0006 Å
• b: 16.1779 ± 0.0008 Å
• c: 9.1962 ± 0.0006 Å
• α: 90°
• β: 111.621 ± 0.003°
• γ: 90°
• Cell volume: 1017.71 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes