Information card for entry 7712834

Structure parameters

• Chemical name: 1
• Formula: C26 H56 Br2 Fe Si8
• Calculated formula: C26 H56 Br2 Fe Si8
• SMILES: Br[c]12[Fe]3456789([c]1([c]3([SiH](C)C)[c]4([c]25[SiH](C)C)[SiH](C)C)[SiH](C)C)[c]1(Br)[c]6([c]7([SiH](C)C)[c]8([SiH](C)C)[c]91[SiH](C)C)[SiH](C)C
• Title of publication: Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes
• Authors of publication: Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 36.0111 ± 0.0003 Å
• b: 36.0111 ± 0.0003 Å
• c: 12.1108 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15705.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No