Information card for entry 7709428

Structure parameters

• Formula: C36.5 H46 Au Cl N4
• Calculated formula: C36.5 H46 Au Cl N4
• SMILES: [Au](n1cnc2c1cc(c(c2)C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.ClCCl
• 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: 14.2796 ± 0.0002 Å
• b: 18.0093 ± 0.0002 Å
• c: 28.1639 ± 0.0004 Å
• α: 90°
• β: 99.631 ± 0.001°
• γ: 90°
• Cell volume: 7140.7 ± 0.16 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No