Information card for entry 4081534

Structure parameters

• Formula: C29 H50 Cl2 F6 Fe N2 Sb
• Calculated formula: C29 H50 Cl2 F6 Fe N2 Sb
• SMILES: [Fe]12345678(N9[C]1(=[C]2([C]3(=[C]49C(C)(C)C)C)C)C(C)(C)C)N1[C]5(=[C]6([C]7(=[C]81C(C)(C)C)C)C)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes
• Authors of publication: Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5887
• a: 10.535 ± 0.0004 Å
• b: 12.3074 ± 0.0005 Å
• c: 14.1764 ± 0.0006 Å
• α: 78.32 ± 0.002°
• β: 76.264 ± 0.002°
• γ: 77.315 ± 0.002°
• Cell volume: 1719.89 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No