Information card for entry 4077519

Structure parameters

• Formula: C49 H56 Fe P2
• Calculated formula: C49 H44 Fe P2
• Title of publication: Electron-Rich Piano-Stool Iron σ-Acetylides Bearing a Functional Aryl Group. Synthesis and Characterization of Iron(II) and Iron(III) Complexes†
• Authors of publication: Denis, Raphaël; Toupet, Loïc; Paul, Frédéric; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 4240
• a: 13.806 ± 0.002 Å
• b: 22.282 ± 0.002 Å
• c: 14.392 ± 0.001 Å
• α: 90°
• β: 107.316 ± 0.01°
• γ: 90°
• Cell volume: 4226.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1271
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No