Information card for entry 4078347

Structure parameters

• Formula: C17 H20 F6 Fe N O2 P Si
• Calculated formula: C17 H20 F6 Fe N O2 P Si
• SMILES: [Fe]1234([Si]5([N+](Cc6c5cccc6)(C)C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[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: 9.4771 ± 0.0014 Å
• b: 13.267 ± 0.002 Å
• c: 8.8592 ± 0.0014 Å
• α: 104.94 ± 0.02°
• β: 102.778 ± 0.014°
• γ: 79.516 ± 0.013°
• Cell volume: 1040.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1662
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1846
• Weighted residual factors for significantly intense reflections: 0.1399
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No