Information card for entry 4331704

Structure parameters

• Formula: C51 H72 Fe N4
• Calculated formula: C51 H72 Fe N4
• 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: 11.1412 ± 0.0007 Å
• b: 13.5297 ± 0.0009 Å
• c: 18.027 ± 0.0012 Å
• α: 101.373 ± 0.001°
• β: 91.985 ± 0.001°
• γ: 114.128 ± 0.001°
• Cell volume: 2411 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0713
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No