Information card for entry 4331691

Structure parameters

• Formula: C40 H64 Fe N6
• Calculated formula: C40 H64 Fe N6
• Title of publication: Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides
• Authors of publication: Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 59 - 65
• a: 21.079 ± 0.002 Å
• b: 9.2359 ± 0.001 Å
• c: 21.123 ± 0.002 Å
• α: 90°
• β: 107.531 ± 0.002°
• γ: 90°
• Cell volume: 3921.3 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No