Information card for entry 7709433

Structure parameters

• Formula: C48 H53 Au N4
• Calculated formula: C48 H53 Au N4
• SMILES: [Au](n1c(nc(c2ccccc2)c1c1ccccc1)c1ccccc1)=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 17.7361 ± 0.0001 Å
• b: 18.8119 ± 0.0001 Å
• c: 25.1981 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8407.34 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No