Information card for entry 7249153

Structure parameters

• Formula: C9 H12 Au Cl6 D N2 O2
• Calculated formula: C9 H12 Au Cl6 D N2 O2
• Title of publication: Gold(I) and Gold(III) Carbene Complexes from the Marine Betaine Norzooanemonin: Inhibition of Thioredoxin Reductase, Anti-proliferative and Antimicrobial Activity
• Authors of publication: Mahdavi, Seyedehmahbobeh; Bockfeld, Dirk; Esarev, Igor V.; Lippmann, Petra; Frank, René; Brönstrup, Mark; Ott, Ingo; Tamm, Matthias
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2024
• a: 8.21 ± 0.0002 Å
• b: 11.0977 ± 0.0002 Å
• c: 19.0738 ± 0.0005 Å
• α: 90°
• β: 98.627 ± 0.002°
• γ: 90°
• Cell volume: 1718.19 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No