Information card for entry 7709430

Structure parameters

• Chemical name: SNEM_EM_111
• Formula: C39 H44 Au N3 S
• Calculated formula: C39 H44 Au N3 S
• Title of publication: A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity
• Authors of publication: Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.8713 ± 0.0002 Å
• b: 39.1909 ± 0.0003 Å
• c: 11.1387 ± 0.0001 Å
• α: 90°
• β: 108.456 ± 0.001°
• γ: 90°
• Cell volume: 6986.12 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No