Information card for entry 4085424

Structure parameters

• Formula: C60 H70 B F24 Fe N4 P2
• Calculated formula: C60 H70 B F24 Fe N4 P2
• Title of publication: Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound
• Authors of publication: Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 3
• Pages of publication: 599
• a: 44.47 ± 0.004 Å
• b: 18.71 ± 0.0018 Å
• c: 37.836 ± 0.006 Å
• α: 90°
• β: 120.178 ± 0.002°
• γ: 90°
• Cell volume: 27214 ± 6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No