Information card for entry 1558729

Structure parameters

• Formula: C36 H24 Br3 F3 Fe3
• Calculated formula: C36 H24 Br3 F3 Fe3
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]6([cH]7[cH]82)Br)c1c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]7[cH]2[cH]9[cH]83)Br)c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]9[cH]7[cH]2[cH]83)Br)c1F)F)F
• 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: 14.0078 ± 0.0004 Å
• b: 19.3202 ± 0.0005 Å
• c: 12.2848 ± 0.0004 Å
• α: 90°
• β: 115.926 ± 0.004°
• γ: 90°
• Cell volume: 2990.08 ± 0.18 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0508
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No