Information card for entry 7712840

Structure parameters

• Chemical name: 3b
• Formula: C24 H52 Fe Si7
• Calculated formula: C24 H52 Fe Si7
• SMILES: [Fe]12345678([cH]9[c]4([SiH](C)C)[c]3([SiH](C)C)[c]2([SiH](C)C)[c]19[SiH](C)C)[c]1([c]5([SiH](C)C)[c]6([cH]7[cH]81)[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: 11.1775 ± 0.0006 Å
• b: 12.2628 ± 0.0006 Å
• c: 13.4623 ± 0.0007 Å
• α: 79.414 ± 0.002°
• β: 68.618 ± 0.002°
• γ: 80.572 ± 0.002°
• Cell volume: 1679.51 ± 0.15 ų
• Cell temperature: 159 K
• Ambient diffraction temperature: 159 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: 0.0392
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No