Information card for entry 2003891

Structure parameters

• Chemical name: 1,1'-Bis(trimethylsilyl)ferrocenium Aluminum Tetrachloride
• Formula: C16 H26 Al Cl4 Fe Si2
• Calculated formula: C16 H26 Al Cl4 Fe Si2
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si](C)(C)C)[c]1([cH]8[cH]7[cH]6[cH]51)[Si](C)(C)C.[Al](Cl)(Cl)(Cl)[Cl-]
• Title of publication: 1,1'-Bis(trimethylsilyl)ferrocenium Tetrachloroaluminate(1‒), 1,1'-Bis(trimethylsilyl)ferrocene and 1,1'-Dimethylferrocene
• Authors of publication: Foucher, D. A.; Honeyman, C. H.; Lough, A. J.; Manners, I.; Nelson, J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1795 - 1799
• a: 11.154 ± 0.002 Å
• b: 15.059 ± 0.003 Å
• c: 14.641 ± 0.003 Å
• α: 90°
• β: 90.37 ± 0.02°
• γ: 90°
• Cell volume: 2459.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.0692
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No