Information card for entry 7052721

Structure parameters

• Formula: C34 H46 Fe2 N2
• Calculated formula: C34 H46 Fe2 N2
• Title of publication: A persistent (amino)(ferrocenyl)carbene
• Authors of publication: DeHope, Alan; Mendoza-Espinosa, Daniel; Donnadieu, Bruno; Bertrand, Guy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 10
• Pages of publication: 2037
• a: 20.159 ± 0.003 Å
• b: 9.974 ± 0.0013 Å
• c: 15.121 ± 0.0019 Å
• α: 90°
• β: 111.024 ± 0.002°
• γ: 90°
• Cell volume: 2837.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1192
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No