Information card for entry 4112492

Structure parameters

• Formula: C28 H31 Fe O2 P Si
• Calculated formula: C28 H37 Fe O2 P Si
• SMILES: [Fe]12345([P](c6ccccc6)(c6ccccc6)C(O[Si]1(C)C)(C)C)(C#[O])[c]1([c]5([c]4([c]3([c]21C)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: 9.48 ± 0.001 Å
• b: 11.1441 ± 0.0009 Å
• c: 25.933 ± 0.003 Å
• α: 90°
• β: 96.806 ± 0.003°
• γ: 90°
• Cell volume: 2720.4 ± 0.5 ų
• Cell 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
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No