Information card for entry 4128991

Structure parameters

• Formula: C70 H68 B F24 Fe P3 Si
• Calculated formula: C70 H68 B F24 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: 12.847 ± 0.004 Å
• b: 38.23 ± 0.011 Å
• c: 14.423 ± 0.004 Å
• α: 90°
• β: 92.285 ± 0.012°
• γ: 90°
• Cell volume: 7078 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No