Information card for entry 7712838

Structure parameters

• Chemical name: 3a
• Formula: C24 H52 Fe Si7
• Calculated formula: C24 H52 Fe Si7
• SMILES: [Fe]12345678([cH]9[c]1([SiH](C)C)[c]2([SiH](C)C)[c]3([c]49[SiH](C)C)[SiH](C)C)[c]1([SiH](C)C)[cH]7[c]6([c]5([SiH](C)C)[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: 9.6168 ± 0.0003 Å
• b: 10.865 ± 0.0004 Å
• c: 17.6366 ± 0.0007 Å
• α: 78.884 ± 0.002°
• β: 81.183 ± 0.001°
• γ: 65.998 ± 0.001°
• Cell volume: 1646.09 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No