Information card for entry 4334860

Structure parameters

• Formula: C32 H50 Fe N4 S2
• Calculated formula: C32 H50 Fe N4 S2
• SMILES: [Fe]12(SN(C(=[N]1C(C)C)c1c(cc(cc1C)C)C)C(C)C)SN(C(=[N]2C(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: 9.522 ± 0.0013 Å
• b: 11.688 ± 0.0016 Å
• c: 15.649 ± 0.002 Å
• α: 98.995 ± 0.003°
• β: 98.091 ± 0.003°
• γ: 101 ± 0.003°
• Cell volume: 1662.3 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No