Information card for entry 7058089

Structure parameters

• Formula: C36 H25 Cu F N6 O3
• Calculated formula: C36 H25 Cu F N6 O3
• Title of publication: Copper(ii) complexes with 4-acyl pyrazolone derivatives and diimine coligands: synthesis, structural characterization, DNA binding and antitumor activity
• Authors of publication: Wang, Jun; Xu, Guan-Cheng; Zhang, Yan-Ping; Luo, Hua-Ying; Li, Jin-Yao; Zhang, Li; Jia, Dian-Zeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2529
• a: 5.7668 ± 0.0008 Å
• b: 21.831 ± 0.003 Å
• c: 11.7987 ± 0.0016 Å
• α: 90°
• β: 97.694 ± 0.002°
• γ: 90°
• Cell volume: 1472 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No