Information card for entry 1506217

Structure parameters

• Formula: C16 H13 Fe I
• Calculated formula: C16 H13 Fe I
• SMILES: Ic1ccc([c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[cH]2[cH]%10[cH]9[cH]8[cH]72)cc1
• 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: 7.8618 ± 0.0003 Å
• b: 23.0451 ± 0.0007 Å
• c: 15.497 ± 0.0005 Å
• α: 90°
• β: 103.565 ± 0.002°
• γ: 90°
• Cell volume: 2729.36 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No