Information card for entry 4125556

Structure parameters

• Formula: C38 H35 F4 Fe N2 O2 P
• Calculated formula: C38 H35 F4 Fe N2 O2 P
• Title of publication: An Iron(II) Ylide Complex as A Masked Open-Shell Iron Alkylidene Species in Its Alkylidene-Transfer Reactions with Alkenes.
• Authors of publication: Liu, Jian; Hu, Lianrui; Wang, Lei; Chen, Hui; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.7064 ± 0.0017 Å
• b: 13.0153 ± 0.0014 Å
• c: 15.7175 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3417.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No