Information card for entry 7715755

Structure parameters

• Formula: C50 H56 Au2 N4 S2
• Calculated formula: C50 H56 Au2 N4 S2
• SMILES: [Au](Sc1ccccc1)=C1N(C=CN1Cc1ccccc1CN1C(=[Au]Sc2ccccc2)N(C=C1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Dinuclear NHC-gold(I)-thiolato and -alkynyl complexes: synthesis, anticancer activity, and catalytic activity in lactonization reactions.
• Authors of publication: Ma, Xinyuan; Zhao, Yuan; Caligiuri, Isabella; Rizzolio, Flavio; Bracho Pozsoni, Nestor; Van Hecke, Kristof; Scattolin, Thomas; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7939 - 7945
• a: 9.7037 ± 0.0002 Å
• b: 14.946 ± 0.0004 Å
• c: 16.9881 ± 0.0005 Å
• α: 110.305 ± 0.002°
• β: 101.236 ± 0.002°
• γ: 92.613 ± 0.002°
• Cell volume: 2249.19 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No