Information card for entry 7225533

Structure parameters

• Formula: C15 H17 Au Cl3 N3
• Calculated formula: C15 H17 Au Cl3 N3
• SMILES: [Au](Cl)(=C1N(C=CN1Cc1c(cccc1)C#N)CCCC)(Cl)Cl
• Title of publication: Synthesis, crystal structures, and in vitro anticancer properties of new N‒heterocyclic carbene (NHC) silver(I)‒ and gold(I)/(III)‒complexes: A rare example of silver(I)‒NHC complex involved in redox transmetallation
• Authors of publication: Haque, Rosenani A.; Ghdhayeb, Mohammed Z.; Budagumpi, Srinivasa; Khadeer Ahamed, Mohamed B.; Abdul Majid, Amin Malik Shah
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 16.5289 ± 0.0007 Å
• b: 8.561 ± 0.0003 Å
• c: 14.5774 ± 0.0006 Å
• α: 90°
• β: 113.83 ± 0.001°
• γ: 90°
• Cell volume: 1886.91 ± 0.13 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: 0.0805
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No