Information card for entry 4083724

Structure parameters

• Formula: C50 H49 Fe P3 Se
• Calculated formula: C50 H49 Fe P3 Se
• Title of publication: Selenophosphine Derivatives with Pendant Electron-Rich Fe(κ2-dppe)(η5-C5Me5)C≡C‒ Substituents
• Authors of publication: Tohmé, Ayham; Sahnoune, Hiba; Roisnel, Thierry; Dorcet, Vincent; Halet, Jean-François; Paul, Frédéric
• Journal of publication: Organometallics
• Year of publication: 2014
• Pages of publication: 140623083706006
• a: 42.639 ± 0.002 Å
• b: 8.6552 ± 0.0003 Å
• c: 24.8723 ± 0.0013 Å
• α: 90°
• β: 111.703 ± 0.002°
• γ: 90°
• Cell volume: 8528.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No