Information card for entry 2021533

Structure parameters

• Chemical name: Tetrakis{μ-2-[2-(2,6-dichloroanilino)phenyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(methanol-κ<i>O</i>)copper(II)
• Formula: C58 H48 Cl8 Cu2 N4 O10
• Calculated formula: C58 H48 Cl8 Cu2 N4 O10
• SMILES: [Cu]1234([Cu]([O]=C(O1)Cc1ccccc1Nc1c(Cl)cccc1Cl)(OC(=[O]3)Cc1c(Nc3c(Cl)cccc3Cl)cccc1)([O]=C(O2)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)(OC(=[O]4)Cc1ccccc1Nc1c(Cl)cccc1Cl)[OH]C)[OH]C
• 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: 10.5258 ± 0.0005 Å
• b: 11.9908 ± 0.0006 Å
• c: 13.0098 ± 0.0007 Å
• α: 113.097 ± 0.004°
• β: 90.217 ± 0.004°
• γ: 99.529 ± 0.004°
• Cell volume: 1485.26 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes