Information card for entry 4078348

Structure parameters

• Formula: C19 H26 Cl2 F6 Fe N O3 P Si
• Calculated formula: C19 H26 Cl2 F6 Fe N O3 P Si
• SMILES: [Fe]1234([Si](OC)(C)c5c(cccc5)C[NH+](C)C)(C#[O])(C#[O])[cH]5[cH]4[cH]3[cH]2[cH]15.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of the Cationic Silyleneiron Complex [(.eta.-C5H5)Fe(CO)2:SiMe{2-(Me2NCH2)C6H4}]PF6 by Hydride Abstraction from a (Hydrosilyl)iron Complex with Ph3CPF6
• Authors of publication: Kobayashi, Hideki; Ueno, Keiji; Ogino, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 1995
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 5490
• a: 14.157 ± 0.002 Å
• b: 16.027 ± 0.003 Å
• c: 11.843 ± 0.002 Å
• α: 90°
• β: 92.83 ± 0.02°
• γ: 90°
• Cell volume: 2683.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• 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: 0.3035
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections: 0.2525
• Weighted residual factors for significantly intense reflections: 0.1622
• Goodness-of-fit parameter for all reflections: 0.99
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No