Information card for entry 4334859

Structure parameters

• Formula: C32 H50 Cl Fe N4
• Calculated formula: C32 H50 Cl Fe N4
• SMILES: [Fe]12(Cl)([N](=C(N1C(C)C)c1c(cc(cc1C)C)C)C(C)C)[N](=C(N2C(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: 12.0698 ± 0.0013 Å
• b: 12.6784 ± 0.0013 Å
• c: 22.399 ± 0.002 Å
• α: 90°
• β: 104.873 ± 0.002°
• γ: 90°
• Cell volume: 3312.8 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No