Information card for entry 7227869

Structure parameters

• Formula: C32 H25 Cu N5 O5
• Calculated formula: C32 H25 Cu N5 O5
• SMILES: [Cu]12(Oc3c(c(nn3c3ccc(cc3)C)C)C(=[O]1)c1c3c(ccc1)cccc3)([n]1ccccc1c1[n]2cccc1)ON(=O)=O
• Title of publication: In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells
• Authors of publication: Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 28
• Pages of publication: 17107
• a: 11.31171 ± 0.00018 Å
• b: 13.8659 ± 0.0003 Å
• c: 18.2058 ± 0.0003 Å
• α: 90°
• β: 99.5069 ± 0.0017°
• γ: 90°
• Cell volume: 2816.31 ± 0.09 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No