Information card for entry 4082903

Structure parameters

• Formula: C50 H42 Cl4 Fe2 Si
• Calculated formula: C50 H42 Cl4 Fe2 Si
• Title of publication: Synthesis, Characterization, Electrochemistry, and Computational Studies of Ferrocenyl-Substituted Siloles
• Authors of publication: Lehrich, Steve W.; Hildebrandt, Alexander; Rüffer, Tobias; Korb, Marcus; Low, Paul J.; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4836
• a: 13.1115 ± 0.0004 Å
• b: 10.8183 ± 0.0004 Å
• c: 14.804 ± 0.0004 Å
• α: 90°
• β: 99.078 ± 0.003°
• γ: 90°
• Cell volume: 2073.56 ± 0.12 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No