Information card for entry 2231922

Structure parameters

• Chemical name: Bis(μ-3-chlorobenzene-1,2-dicarboxylato- κ^2^<i>O</i>^2^:<i>O</i>^2^)bis[diaqua(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Formula: C40 H38 Cl2 Cu2 N4 O12
• Calculated formula: C40 H38 Cl2 Cu2 N4 O12
• SMILES: C(=O)([O]1[Cu]2([n]3c(c4[n]2cc(C)cc4)ccc(C)c3)([O](C(=O)c2c(C(=O)[O-])cccc2Cl)[Cu]21([n]1c(c3[n]2cc(C)cc3)ccc(C)c1)[OH2])[OH2])c1c(C(=O)[O-])cccc1Cl.O.O
• Title of publication: Bis(μ-3-chlorobenzene-1,2-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^2^)bis[diaqua(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]
• Authors of publication: Li, Fu-An; Xu, Fu; Hu, Xiao-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1366
• a: 11.6908 ± 0.0007 Å
• b: 11.8643 ± 0.0006 Å
• c: 17.2869 ± 0.0013 Å
• α: 90°
• β: 124.806 ± 0.005°
• γ: 90°
• Cell volume: 1968.8 ± 0.2 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: 0.0474
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes