Information card for entry 7040938

Structure parameters

• Formula: C24 H33 Fe N
• Calculated formula: C24 H33 Fe N
• Title of publication: 1,1'-Diacetyloctamethylferrocene: an overlooked and overdue synthon leading to the facile synthesis of an octamethylferrocenophane.
• Authors of publication: Roemer, Max; Skelton, Brian W.; Piggott, Matthew J.; Koutsantonis, George A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18817 - 18821
• a: 28.4563 ± 0.0005 Å
• b: 8.6547 ± 0.0002 Å
• c: 16.6461 ± 0.0004 Å
• α: 90°
• β: 91.822 ± 0.002°
• γ: 90°
• Cell volume: 4097.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No