Information card for entry 2233512

Structure parameters

• Chemical name: Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1^)bis[(2,2'- bipyridine-κ^2^<i>N</i>:<i>N</i>')chloridocopper(II)] dihydrate
• Formula: C36 H28 Cl2 Cu2 N6 O14
• Calculated formula: C36 H28 Cl2 Cu2 N6 O14
• SMILES: c1(ccc(c(c1)C(=O)[O]1[Cu]2([n]3c(c4[n]2cccc4)cccc3)([O](C(=O)c2c(ccc(c2)N(=O)=O)C(=O)O)[Cu]21([n]1c(c3[n]2cccc3)cccc1)Cl)Cl)C(=O)O)N(=O)=O.O.O
• Title of publication: Bis(μ-2-carboxy-5-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1^)bis[(2,2'-bipyridine-κ^2^<i>N</i>:<i>N</i>')chloridocopper(II)] dihydrate
• Authors of publication: Wang, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m95
• a: 9.109 ± 0.0012 Å
• b: 12.3571 ± 0.0017 Å
• c: 17.024 ± 0.002 Å
• α: 92.684 ± 0.002°
• β: 101.551 ± 0.002°
• γ: 92.493 ± 0.002°
• Cell volume: 1872.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes