Information card for entry 4334861

Structure parameters

• Formula: C40 H59 Fe N5
• Calculated formula: C40 H59 Fe N5
• SMILES: [Fe]12([N](=C(N1C(C)C)c1c(cc(cc1C)C)C)C(C)C)[N](=C(N(N2c1cc(cc(c1)C)C)C(C)C)c1c(cc(cc1C)C)C)C(C)C
• Title of publication: Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents
• Authors of publication: Long Zhang; Li Xiang; Yihua Yu; Liang Deng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5906 - 5913
• a: 8.5695 ± 0.0012 Å
• b: 12.4002 ± 0.0017 Å
• c: 19.574 ± 0.003 Å
• α: 101.176 ± 0.002°
• β: 90.958 ± 0.002°
• γ: 108.057 ± 0.002°
• Cell volume: 1933.5 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No