Information card for entry 7040934

Structure parameters

• Formula: C18 H28 Cl Fe O
• Calculated formula: C18 H28 Cl Fe O
• 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: 8.624 ± 0.0005 Å
• b: 9.5939 ± 0.0008 Å
• c: 11.1935 ± 0.0008 Å
• α: 91.012 ± 0.006°
• β: 102.395 ± 0.006°
• γ: 107.446 ± 0.007°
• Cell volume: 859.58 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No