Information card for entry 7225534

Structure parameters

• Formula: C22 H32 Au Cl N4 O2
• Calculated formula: C22 H32 Au Cl N4 O2
• SMILES: [Au](=C1N(c2ccccc2N1CCC)C)=C1N(c2ccccc2N1CCC)C.[Cl-].O.O
• 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: 7.5995 ± 0.0008 Å
• b: 19.115 ± 0.002 Å
• c: 15.8809 ± 0.0018 Å
• α: 90°
• β: 95.73 ± 0.003°
• γ: 90°
• Cell volume: 2295.4 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0845
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No