Information card for entry 4331702

Structure parameters

• Formula: C39 H44 Cl4 Fe N4
• Calculated formula: C39 H44 Cl4 Fe N4
• SMILES: [Fe]1(Nc2c(Cl)cccc2Cl)(Nc2c(Cl)cccc2[Cl]1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 10.2812 ± 0.0014 Å
• b: 22.888 ± 0.003 Å
• c: 16.865 ± 0.002 Å
• α: 90°
• β: 99.463 ± 0.003°
• γ: 90°
• Cell volume: 3914.6 ± 0.9 ų
• Cell temperature: 132 ± 2 K
• Ambient diffraction temperature: 132 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No