Information card for entry 2230536

Structure parameters

• Chemical name: [μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine- 2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate
• Formula: C26 H24 Cu2 N4 O12
• Calculated formula: C26 H24 Cu2 N4 O12
• SMILES: c12C(=O)O[Cu]3([n]1c(C(=O)O3)ccc2)([n]1ccc(cc1)/C=C/c1cc[n](cc1)[Cu]12([n]3c(cccc3C(=O)O1)C(=O)O2)[OH2])[OH2].O.O
• Title of publication: [μ-1,2-Bis(4-pyridyl)ethene-κ^2^<i>N</i>:<i>N</i>']bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] dihydrate
• Authors of publication: Lush, Shie Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m775
• a: 5.2616 ± 0.0005 Å
• b: 7.9316 ± 0.0007 Å
• c: 16.8063 ± 0.0014 Å
• α: 89.183 ± 0.002°
• β: 84.541 ± 0.002°
• γ: 72.557 ± 0.002°
• Cell volume: 666.01 ± 0.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0609
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes