Information card for entry 2235860

Structure parameters

• Chemical name: [μ-2,2'-(1,4-Phenylene)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^4^]bis[aqua(2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dihydrate
• Formula: C30 H32 Cl2 Cu2 N4 O8
• Calculated formula: C30 H32 Cl2 Cu2 N4 O8
• SMILES: c1[n]2[Cu]([n]3c(c2ccc1)cccc3)(OC(=O)Cc1ccc(CC(=O)O[Cu]2([n]3c(c4cccc[n]24)cccc3)([OH2])Cl)cc1)([OH2])Cl.O.O
• Title of publication: [μ-2,2'-(1,4-Phenylene)diacetato-κ^2^<i>O</i>^1^:<i>O</i>^4^]bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dihydrate
• Authors of publication: Zhao, Jin-He; Lin, Yan-Xia; Wu, Wei; Zhang, Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1114
• a: 11.713 ± 0.004 Å
• b: 6.954 ± 0.002 Å
• c: 19.585 ± 0.007 Å
• α: 90°
• β: 100.507 ± 0.005°
• γ: 90°
• Cell volume: 1568.5 ± 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: 0.0921
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes