Information card for entry 2021535

Structure parameters

• Chemical name: Bis{2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>,<i>O</i>'}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
• Formula: C34 H28 Cl4 Cu N6 O4
• Calculated formula: C34 H28 Cl4 Cu N6 O4
• SMILES: [Cu](OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)(OC(=O)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)([n]1cc[nH]c1)[n]1cc[nH]c1
• Title of publication: Synthesis, crystal structures and characterizations of three new copper(II) complexes including anti-inflammatory diclofenac
• Authors of publication: Hamamci Alisir, Sevim; Dege, Necmi; Tapramaz, Recep
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 388 - 397
• a: 7.6526 ± 0.0004 Å
• b: 7.5494 ± 0.0005 Å
• c: 31.071 ± 0.002 Å
• α: 90°
• β: 96.277 ± 0.005°
• γ: 90°
• Cell volume: 1784.29 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes