Information card for entry 2022837

Structure parameters

• Chemical name: Aqua(2,2'-bipyridineκ^2^<i>N</i>,<i>N</i>')bis(3-methylbenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-copper(II) 0.68-hydrate,
• Formula: C26 H25.36 Cu N2 O5.68
• Calculated formula: C26 H25.36 Cu N2 O5.68
• Title of publication: Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methylbenzoate and 2,2′-bipyridine ligands
• Authors of publication: Qadir, Adnan
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 9
• a: 16.754 ± 0.003 Å
• b: 7.0021 ± 0.0012 Å
• c: 22.103 ± 0.004 Å
• α: 90°
• β: 106.522 ± 0.006°
• γ: 90°
• Cell volume: 2485.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0604
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes