Information card for entry 7250567

Structure parameters

• Formula: C47 H40 Au Cl N2
• Calculated formula: C47 H40 Au Cl N2
• Title of publication: Rational Design of Gold(I)-NHC Complexes as Anticancer Agents: Induction of Necroptosis and Paraptosis in Lung Adenocarcinoma
• Authors of publication: Dewan, Sayari; Sonker, Himanshu; Chaudhary, Kajal; Singh, Ritika Gautam
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2025
• a: 18.2277 ± 0.0005 Å
• b: 19.709 ± 0.0005 Å
• c: 20.7662 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7460.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No