Information card for entry 2312593

Structure parameters

• Chemical name: (Acetato-κ<i>O</i>)bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) acetate–acetic acid–water (1/1/3)
• Formula: C26 H32 Cu N4 O9
• Calculated formula: C26 H32 Cu N4 O9
• SMILES: [Cu]12(OC(=O)C)([n]3c(cccc3)c3cccc[n]23)[n]2ccccc2c2[n]1cccc2.[O-]C(=O)C.OC(=O)C.O.O.O
• Title of publication: Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and 2,2'-bipyridine.
• Authors of publication: Guimaraes, Samuel P.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 11.0826 ± 0.0018 Å
• b: 11.184 ± 0.0019 Å
• c: 12.188 ± 0.0018 Å
• α: 86.537 ± 0.001°
• β: 69.82 ± 0.001°
• γ: 83.261 ± 0.001°
• Cell volume: 1407.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes