Information card for entry 2222678

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiophene-2-carboxylato- κ<i>O</i>)copper(II)
• Formula: C20 H16 Cu N2 O5 S2
• Calculated formula: C20 H16 Cu N2 O5 S2
• SMILES: [Cu]1(OC(=O)c2sccc2)(OC(=O)c2sccc2)([OH2])[n]2ccccc2c2[n]1cccc2
• Title of publication: Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiophene-2-carboxylato-κ<i>O</i>)copper(II)
• Authors of publication: Mahmoud, Reda F.; Janiak, Christoph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m909 - m910
• a: 6.8458 ± 0.0005 Å
• b: 18.3799 ± 0.0015 Å
• c: 16.8421 ± 0.0012 Å
• α: 90°
• β: 101.516 ± 0.0019°
• γ: 90°
• Cell volume: 2076.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes