Information card for entry 7716091

Structure parameters

• Formula: C52 H64 Cu N8 O12
• Calculated formula: C52 H56 Cu N8 O8
• Title of publication: Repurposing the antihistamine drug bilastine as an anti-cancer metallic drug entity: synthesis and single-crystal X-ray structure analysis of metal-based bilastine and phen [Co(II), Cu(II) and Zn(II)] tailored anticancer chemotherapeutic agents against resistant cancer cells.
• Authors of publication: Rijwan, ?; Arjmand, Farukh; Tabassum, Sartaj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10126 - 10141
• 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