Information card for entry 2003420

Structure parameters

• Formula: C23 H20 Fe2
• Calculated formula: C23 H20 Fe2
• Title of publication: An Unexpected By-Product in the Friedel‒Crafts Acrylation of Ferrocene
• Authors of publication: Trnka, T. M.; Kerber, R. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 871 - 873
• a: 7.652 ± 0.002 Å
• b: 9.716 ± 0.002 Å
• c: 11.757 ± 0.003 Å
• α: 94.66 ± 0.03°
• β: 98.25 ± 0.04°
• γ: 104.17 ± 0.04°
• Cell volume: 832.5 ± 0.4 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No