Information card for entry 1558732

Structure parameters

• Formula: C76.68 H66.82 Cl Fe3 O0 P3
• Calculated formula: C76.675 H66.82 Cl Fe3 P3
• Title of publication: Triple the fun: Tris(ferrocenyl)arene-based gold(I) complexes for redox-switchable catalysis
• Authors of publication: Straube, Axel A.; Coburger, Peter; Duetsch, Luis; Hey-Hawkins, Evamarie
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 10.2357 ± 0.0005 Å
• b: 16.1124 ± 0.0006 Å
• c: 19.2961 ± 0.0007 Å
• α: 102.741 ± 0.003°
• β: 96.159 ± 0.003°
• γ: 93.096 ± 0.003°
• Cell volume: 3076.2 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0624
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No