Information card for entry 2237171

Structure parameters

• Common name: 1,1'-bis(tert-butyldimethylsilyl)ferrocene
• Chemical name: 1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene
• Formula: C22 H38 Fe Si2
• Calculated formula: C22 H38 Fe Si2
• SMILES: C[Si](C)([c]12[Fe]3456789([cH]([cH]8[cH]26)[cH]13)[cH]1[cH]9[cH]7[c]5([cH]41)[Si](C)(C)C(C)(C)C)C(C)(C)C
• Title of publication: 1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene
• Authors of publication: Abri, Abdolreza; Soltani, Behzad; Ziegler, Christopher J.; Engle, James T.; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m46
• a: 7.1282 ± 0.0006 Å
• b: 12.1466 ± 0.001 Å
• c: 26.363 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2282.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes