Information card for entry 2019125

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II)
• Formula: C15 H15 Cu I N2 O2
• Calculated formula: C15 H15 Cu I N2 O2
• SMILES: [Cu]12(I)(OC(=CC(=[O]1)C)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II): a compound with two molecules in the asymmetric unit due to different π‒π interactions
• Authors of publication: Diniz, Lorrane; Carvalho, Sandra; Borges, Ruth H. U.; Rodrigues, Bernardo L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: 1010 - 1012
• a: 8.1171 ± 0.0002 Å
• b: 11.4659 ± 0.0002 Å
• c: 18.134 ± 0.0004 Å
• α: 84.99 ± 0.002°
• β: 80.12 ± 0.002°
• γ: 76.538 ± 0.002°
• Cell volume: 1615.04 ± 0.06 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: 0.0511
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No