Information card for entry 4086629

Structure parameters

• Formula: C28 H33 Au Cl4 Fe N4
• Calculated formula: C28 H33 Au Cl4 Fe N4
• SMILES: [Au](Cl)=C1N(c2c(N1CCCC)cc1c(n(C)c(n1)[c]13[cH]4[Fe]56789%101([cH]4[cH]5[cH]36)[cH]1[cH]9[cH]%10[cH]8[cH]71)c2)CCCC.ClC(Cl)Cl
• Title of publication: Ferrocenyl-Imidazolylidene Ligand for Redox-Switchable Gold-Based Catalysis. A Detailed Study on the Redox-Switching Abilities of the Ligand
• Authors of publication: Ibáñez, Susana; Poyatos, Macarena; Dawe, Louise N.; Gusev, Dmitry; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2747
• a: 10.7513 ± 0.0006 Å
• b: 10.7753 ± 0.0009 Å
• c: 14.3647 ± 0.0004 Å
• α: 81.906 ± 0.005°
• β: 75.409 ± 0.004°
• γ: 69.238 ± 0.006°
• Cell volume: 1503.44 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No