Information card for entry 2228143

Structure parameters

• Chemical name: Bis(μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(2,2'- bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] dihydrate
• Formula: C36 H30 Cu2 N6 O16
• Calculated formula: C36 H30 Cu2 N6 O16
• SMILES: C1(=O)c2cccc(c2C(=O)O[Cu]2([n]3ccccc3c3[n]2cccc3)(OC(=O)c2cccc(c2C(=O)O[Cu]2([n]3ccccc3c3[n]2cccc3)(O1)[OH2])N(=O)=O)[OH2])N(=O)=O.O.O
• Title of publication: Bis(μ-3-nitrophthalato-κ^2^<i>O</i>^1^:<i>O</i>^2^)bis[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)] dihydrate
• Authors of publication: Han, Yin-Feng; Cheng, Chen; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1484
• a: 7.534 ± 0.002 Å
• b: 10.467 ± 0.003 Å
• c: 12.044 ± 0.003 Å
• α: 87.835 ± 0.002°
• β: 74.911 ± 0.003°
• γ: 77.437 ± 0.003°
• Cell volume: 894.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes