Information card for entry 4082355

Structure parameters

• Formula: C11 H20 Cl3 Fe N2
• Calculated formula: C11 H20 Cl3 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)=C1N(C(=C(N1C(C)C)C)C)C(C)C
• Title of publication: Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes
• Authors of publication: Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 921
• a: 16.021 ± 0.002 Å
• b: 11.6893 ± 0.0015 Å
• c: 17.185 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3218.3 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No