Information card for entry 7231677

Structure parameters

• Formula: C31 H25 Br2 Cu2 N2 O5
• Calculated formula: C34 H32 Br2 Cu2 N2 O8
• Title of publication: Theoretical and experimental investigation of anticancer activities of an acyclic and symmetrical compartmental Schiff base ligand and its Co(ii), Cu(ii) and Zn(ii) complexes
• Authors of publication: Saghatforoush, Lotfali; Moeini, Keyvan; Hosseini-Yazdi, Seyed Abolfazl; Mardani, Zahra; Hajabbas-Farshchi, Alireza; Jameson, Heather T.; Telfer, Shane G.; Woollins, J. Derek
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 62
• Pages of publication: 35625
• a: 14.8266 ± 0.001 Å
• b: 12.0316 ± 0.0009 Å
• c: 18.82 ± 0.003 Å
• α: 90°
• β: 96.213 ± 0.007°
• γ: 90°
• Cell volume: 3337.5 ± 0.6 ų
• Cell temperature: 436 ± 2 K
• Ambient diffraction temperature: 436 ± 2 K
• Number of distinct elements: 6
• 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: 0.0927
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No