Information card for entry 4086627

Structure parameters

• Formula: C28 H35.83 Au B Cl3 F4 Fe N4 O0.42
• Calculated formula: C28 H35.828 Au B Cl3 F4 Fe N4 O0.414
• 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: 10.6273 ± 0.0003 Å
• b: 10.7075 ± 0.0004 Å
• c: 17.7058 ± 0.0005 Å
• α: 106.334 ± 0.003°
• β: 93.67 ± 0.002°
• γ: 113.637 ± 0.003°
• Cell volume: 1735.07 ± 0.11 ų
• Cell temperature: 200 ± 0.14 K
• Ambient diffraction temperature: 200 ± 0.14 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0894
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No