Information card for entry 7104754

Structure parameters

• Formula: C60 H74 Fe O2
• Calculated formula: C60 H74 Fe O2
• Title of publication: Insertion reactions of a two-coordinate iron diaryl with dioxygen and carbon monoxide.
• Authors of publication: Ni, Chengbao; Power, Philip P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5543 - 5545
• a: 10.8136 ± 0.0007 Å
• b: 20.2033 ± 0.0014 Å
• c: 11.1559 ± 0.0008 Å
• α: 90°
• β: 90.558 ± 0.002°
• γ: 90°
• Cell volume: 2437.1 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No