Information card for entry 2225020

Structure parameters

• Chemical name: Poly[[bis(μ~2~-4,4'-bipyridine)[μ~2~-(2,4-dichlorophenoxy)acetato]copper(I)] nitrate]
• Formula: C28 H21 Cl2 Cu2 N5 O6
• Calculated formula: C28 H21 Cl2 Cu2 N5 O6
• SMILES: [Cu]1([n]2ccc(cc2)c2ccncc2)[O]=C(COc2c(cc(cc2)Cl)Cl)O[Cu]([n]2ccc(cc2)c2ccncc2)[n]2ccc(c3cc[n]([Cu][O]=C(COc4c(cc(cc4)Cl)Cl)O[Cu][n]4ccc(cc4)c4cc[n]1cc4)cc3)cc2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Poly[[bis(μ~2~-4,4'-bipyridine)[μ~2~-(2,4-dichlorophenoxy)acetato]copper(I)] nitrate]
• Authors of publication: Liu, Shi-Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m199
• a: 10.598 ± 0.002 Å
• b: 18.552 ± 0.003 Å
• c: 15.212 ± 0.003 Å
• α: 90°
• β: 108.835 ± 0.002°
• γ: 90°
• Cell volume: 2830.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes