Information card for entry 4070874

Structure parameters

• Formula: C35 H32 Fe O3 Si2
• Calculated formula: C35 H32 Fe O3 Si2
• SMILES: [Fe]123(C#[O])(C#[O])(C#[O])[C]4([Si]([Si](C)(C)C)([C]3(=[C]2([C]1=4c1ccccc1)c1ccccc1)c1ccccc1)C)c1ccccc1
• Title of publication: Intramolecular Si−Si Bond Activation by the Iron Carbonyl Unit in an (η4-Silole)tricarbonyliron Complex
• Authors of publication: Zhang, Zhensheng; Gu, Jianli; Zhang, Chengxun; Sun, Huailin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2149
• a: 8.965 ± 0.003 Å
• b: 19.433 ± 0.005 Å
• c: 18.239 ± 0.004 Å
• α: 90°
• β: 95.184 ± 0.006°
• γ: 90°
• Cell volume: 3164.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.17
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No