Information card for entry 7709431

Structure parameters

• Formula: C35 H40 Au N3 S
• Calculated formula: C35 H40 Au N3 S
• SMILES: [Au](N1c2c(Sc3ccccc13)cccc2)=C1N(C=CN1C12CC3CC(C2)CC(C1)C3)C12CC3CC(C2)CC(C1)C3
• 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: 11.07582 ± 0.00015 Å
• b: 18.5823 ± 0.0002 Å
• c: 28.4054 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5846.23 ± 0.14 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: 0.0499
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No