Information card for entry 4064337

Structure parameters

• Formula: C14 H19 Fe N
• Calculated formula: C14 H19 Fe N
• Title of publication: Synthesis and Structures of 1′,2′,3′,4′,5′-Pentamethylazaferrocene Complexes with Lewis Acidic Boranes
• Authors of publication: Brunker, Tim J.; Roembke, Benjamin T.; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2272
• a: 7.9703 ± 0.0006 Å
• b: 13.4554 ± 0.001 Å
• c: 11.388 ± 0.0008 Å
• α: 90°
• β: 92.521 ± 0.001°
• γ: 90°
• Cell volume: 1220.11 ± 0.15 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No