Information card for entry 4331693

Structure parameters

• Formula: C40 H64 Fe N6
• Calculated formula: C40 H64 Fe N6
• SMILES: [Fe](Nc1c(cc(cc1C)C)C)(Nc1c(cc(cc1C)C)C)(=C1N(C(=C(N1C(C)C)C)C)C(C)C)=C1N(C(=C(N1C(C)C)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: 11.0972 ± 0.0007 Å
• b: 22.5602 ± 0.0015 Å
• c: 16.0122 ± 0.0011 Å
• α: 90°
• β: 103.916 ± 0.001°
• γ: 90°
• Cell volume: 3891.1 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No