Information card for entry 2201582

Structure parameters

• Formula: C22 H22 Fe2 O Si2
• Calculated formula: C22 H22 Fe2 O Si2
• SMILES: [Fe]4([cH]12)([cH]13)([cH]21)([cH]12)([c]235)([cH]12)([cH]13)([cH]21)([cH]12)[c]23[Si]45(C)O[Si]45(C)[Fe]([cH]12)([cH]13)([cH]21)([cH]12)([c]234)([cH]12)([cH]13)([cH]21)([cH]12)[c]235
• Title of publication: An oxygen-bridged bis(sila[1]ferrocenophane), [Fe(η-<i>C</i>~5~H~4~)~2~Si(Me)]~2~O
• Authors of publication: Berenbaum, Andrea; Lough, Alan J.; Manners, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m562 - m563
• a: 7.5203 ± 0.0001 Å
• b: 11.4213 ± 0.0003 Å
• c: 22.2986 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1915.26 ± 0.08 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes