Information card for entry 7716091

Structure parameters

• Formula: C52 H64 Cu N8 O12
• Calculated formula: C52 H56 Cu N8 O8
• Title of publication: Repurposing Bilastine antihistamine drug as an anti-cancer metallic drug entity: Synthesis and Single crystal X-ray structure of Metal -based Bilastine and phen {Co(II), Cu(II) & Zn(II)} tailored anticancer chemotherapeutic agents against resistant cancer cells.
• Authors of publication: ., Rijwan; Arjmand, Farukh; Tabassum, Sartaj
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.8962 ± 0.0004 Å
• b: 14.5101 ± 0.0003 Å
• c: 15.7711 ± 0.0004 Å
• α: 87.974 ± 0.002°
• β: 64.155 ± 0.003°
• γ: 70.434 ± 0.002°
• Cell volume: 2673.63 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No