Information card for entry 4081492

Structure parameters

• Formula: C20 H28 Fe N2
• Calculated formula: C20 H28 Fe N2
• SMILES: [Fe]12345678([c]9([cH]1[cH]3[cH]5[cH]79)CN1CCCC1)[c]1([cH]2[cH]4[cH]6[cH]81)CN1CCCC1
• Title of publication: Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis
• Authors of publication: Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 20
• Pages of publication: 5784
• a: 17.9016 ± 0.0008 Å
• b: 7.908 ± 0.0003 Å
• c: 12.1015 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.16 ± 0.13 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No