Information card for entry 1506216

Structure parameters

• Formula: C117 H105 Fe6 O3
• Calculated formula: C117 H105 Fe6 O3
• Title of publication: Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.
• Authors of publication: Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5041 - 5044
• a: 20.19 ± 0.005 Å
• b: 21.348 ± 0.005 Å
• c: 24.339 ± 0.009 Å
• α: 98.401 ± 0.005°
• β: 100.779 ± 0.005°
• γ: 115.219 ± 0.004°
• Cell volume: 9017 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1693
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No