Information card for entry 4112491

Structure parameters

• Formula: C26 H35 Fe O2 P Si
• Calculated formula: C26 H35 Fe O2 P Si
• SMILES: [Fe]1234([PH](c5ccccc5)c5ccccc5)([Si](OC)(C)C)(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Phosphasilaferracyclopropane: An Activator of Small Molecules Having Polarized Single, Double, and Aromatic Unsaturated Bonds
• Authors of publication: Masaaki Okazaki; Kyeong A Jung; Kazuyuki Satoh; Hiroshi Okada; Junpei Naito; Tadahiro Akagi; Hiromi Tobita; Hiroshi Ogino
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5060 - 5061
• a: 17.8808 ± 0.0005 Å
• b: 8.6468 ± 0.0003 Å
• c: 32.425 ± 0.001 Å
• α: 90°
• β: 89.324 ± 0.001°
• γ: 90°
• Cell volume: 5012.9 ± 0.3 ų
• Cell temperature: 150.2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No