Information card for entry 4331689

Structure parameters

• Formula: C34 H52 Fe N6
• Calculated formula: C34 H52 Fe N6
• SMILES: C1(N(C(=C(C)N1C(C)C)C)C(C)C)=[Fe](Nc1ccccc1)(=C1N(C(=C(C)N1C(C)C)C)C(C)C)Nc1ccccc1
• 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: 17.095 ± 0.002 Å
• b: 9.4499 ± 0.0011 Å
• c: 20.36 ± 0.002 Å
• α: 90°
• β: 100.219 ± 0.002°
• γ: 90°
• Cell volume: 3236.9 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0278
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No