Information card for entry 7100966

Structure parameters

• Formula: C29 H37 Fe O2 P Si
• Calculated formula: C29 H37 Fe O2 P Si
• SMILES: [Fe]12345([Si](C)(C)OC([P]1(c1ccccc1)c1ccccc1)(C)C=C)(C#[O])[c]1([c]2([c]3([c]4([c]51C)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: 9.7874 ± 0.0006 Å
• b: 11.2168 ± 0.0007 Å
• c: 25.7032 ± 0.0018 Å
• α: 90°
• β: 97.956 ± 0.004°
• γ: 90°
• Cell volume: 2794.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No