Information card for entry 1575506

Structure parameters

• Formula: C41 H57 Au N2 Se
• Calculated formula: C41 H57 Au N2 Se
• Title of publication: A new generation of N-heterocyclic carbene (NHC) gold-selenolato complexes as potent anticancer agents: distinct synthetic routes and evaluation in 2D and 3D cancer models.
• Authors of publication: Arnaut, Pierre; Pozsoni, Nestor Bracho; Bondar, Denys; Lippmann, Petra; Boschuk, Susanne; Semenyuta, Ivan; Bhandary, Subhrajyoti; Van Hecke, Kristof; Karpichev, Yevgen; Cavarzerani, Enrico; Canzonieri, Vincenzo; Rizzolio, Flavio; Scattolin, Thomas; Vougioukalakis, Georgios C.; Ott, Ingo; Tzouras, Nikolaos V.; Nolan, Steven P.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17221 - 17231
• a: 16.2159 ± 0.0001 Å
• b: 12.088 ± 0.0001 Å
• c: 19.2106 ± 0.0001 Å
• α: 90°
• β: 100.741 ± 0.001°
• γ: 90°
• Cell volume: 3699.64 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0221
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No