Information card for entry 7712835

Structure parameters

• Chemical name: 4a
• Formula: C26 H58 Fe Si8
• Calculated formula: C26 H58 Fe Si8
• SMILES: [Fe]12345678([c]9([SiH](C)C)[c]1([SiH](C)C)[c]2([SiH](C)C)[c]3([c]49[SiH](C)C)[SiH](C)C)[c]1([c]5([SiH](C)C)[c]6([SiH](C)C)[cH]7[cH]81)[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: 18.8023 ± 0.0014 Å
• b: 16.3214 ± 0.0013 Å
• c: 11.9698 ± 0.0009 Å
• α: 90°
• β: 94.187 ± 0.003°
• γ: 90°
• Cell volume: 3663.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No