Information card for entry 4108963

Structure parameters

• Formula: C26 H31 Fe O2 P Si
• Calculated formula: C26 H31 Fe O2 P Si
• SMILES: [Fe]1234(P([Si](C)(C)c5ccccc5)c5ccccc5)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Recombination of an Fe-Si-P Linkage to an Fe-P-Si Linkage through an Isolable Intermediate Phosphasilaferracyclopropane
• Authors of publication: Masaaki Okazaki; Takahiko Yoshitomi; Junpei Naito; Akira Sato; Takashi Komuro; Hiromi Tobita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17674 - 17675
• a: 14.5404 ± 0.0006 Å
• b: 15.7053 ± 0.0008 Å
• c: 22.1506 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5058.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No