Information card for entry 7100968

Structure parameters

• Formula: C29 H37 Fe O2 P Si
• Calculated formula: C29 H37 Fe O2 P Si
• SMILES: [Fe]12345([Si](C)(C)OC(=CC[P]1(c1ccccc1)c1ccccc1)C)(C#[O])[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Regioselective Silylphosphination of Methyl Vinyl Ketone with Complexes Containing Cyclic and Linear Iron-Silicon-Phosphorus Reacting Sites
• Authors of publication: Masaaki Okazaki; Kyeong A. Jung; Hiromi Tobita
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 9.1251 ± 0.0016 Å
• b: 15.172 ± 0.002 Å
• c: 19.699 ± 0.002 Å
• α: 90°
• β: 97.714 ± 0.006°
• γ: 90°
• Cell volume: 2702.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No