Information card for entry 4085425

Structure parameters

• Formula: C37 H53 Fe N4
• Calculated formula: C37 H53 Fe N4
• 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: 9.6648 ± 0.0017 Å
• b: 9.7127 ± 0.0017 Å
• c: 18.803 ± 0.003 Å
• α: 95.293 ± 0.003°
• β: 95.353 ± 0.003°
• γ: 102.303 ± 0.003°
• Cell volume: 1705.6 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1107
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.173
• 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: No
• Has Fobs: No