Information card for entry 4081533

Structure parameters

• Formula: C34 H58 F6 Fe Sb
• Calculated formula: C34 H58 F6 Fe Sb
• SMILES: [c]12([c]3([cH]4[c]5([cH]1[Fe]16782345[c]2([c]1([cH]6[c]7([cH]82)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.[F-][Sb](F)(F)(F)(F)F
• 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: 19.6586 ± 0.001 Å
• b: 14.7578 ± 0.0008 Å
• c: 12.1964 ± 0.0008 Å
• α: 90°
• β: 104.07 ± 0.006°
• γ: 90°
• Cell volume: 3432.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No