Information card for entry 1506218

Structure parameters

• Formula: C34 H26 Fe2
• Calculated formula: C34 H26 Fe2
• SMILES: [Fe]12345678([cH]9[c]5(c5ccc(cc5)C#Cc5ccc([c]%10%11[Fe]%12%13%14%15%16%17%18([cH]%10[cH]%12[cH]%13[cH]%11%14)[cH]%10[cH]%18[cH]%17[cH]%16[cH]%15%10)cc5)[cH]6[cH]7[cH]89)[cH]5[cH]4[cH]3[cH]2[cH]15
• 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: 12.6557 ± 0.0006 Å
• b: 7.8068 ± 0.0004 Å
• c: 12.6535 ± 0.0006 Å
• α: 90°
• β: 104.579 ± 0.002°
• γ: 90°
• Cell volume: 1209.92 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No