Information card for entry 4128992

Structure parameters

• Chemical name: SiP3FeCCH3
• Formula: C37.83 H56.75 Cl0.08 Fe P3 Si
• Calculated formula: C37.832 H56.748 Cl0.084 Fe P3 Si
• Title of publication: Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.
• Authors of publication: Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 38
• Pages of publication: 15211 - 15221
• a: 13.2971 ± 0.0008 Å
• b: 16.145 ± 0.0009 Å
• c: 17.0059 ± 0.001 Å
• α: 90°
• β: 92.999 ± 0.003°
• γ: 90°
• Cell volume: 3645.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0382
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No