Information card for entry 7227871

Structure parameters

• Formula: C34 H26 Cu N5 O5
• Calculated formula: C34 H26 Cu N5 O5
• SMILES: [O]1=C(c2c(nn(c2O[Cu]21([n]1cccc3c1c1[n]2cccc1cc3)ON(=O)=O)c1ccc(cc1)C)C)c1c2ccccc2ccc1
• 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: 11.9167 ± 0.0002 Å
• b: 13.741 ± 0.0002 Å
• c: 18.0275 ± 0.0004 Å
• α: 90°
• β: 100.693 ± 0.0018°
• γ: 90°
• Cell volume: 2900.69 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No