Information card for entry 2203494

Structure parameters

• Chemical name: Hexacarbonyl[μ~2~-η^3^-N-(3-thienylmethylidene)-4- (trimethylsilyl)aniline]diiron
• Formula: C20 H17 Fe2 N O6 S Si
• Calculated formula: C20 H17 Fe2 N O6 S Si
• SMILES: [Fe]123([Fe]4([C]51SC=C[C]=52C[N]34c1ccc(cc1)[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Hexacarbonyl[μ~2~-η^3^-<i>N</i>-(3-thienylmethylidene)-4-(trimethylsilyl)aniline]diiron
• Authors of publication: Imhof, Wolfgang; Berger, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: m384 - m386
• a: 25.4591 ± 0.0011 Å
• b: 14.1058 ± 0.0007 Å
• c: 13.2386 ± 0.0006 Å
• α: 90°
• β: 99.223 ± 0.003°
• γ: 90°
• Cell volume: 4692.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1076
• 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