Information card for entry 4107879

Structure parameters

• Formula: C56 H54 Cl4 Fe2
• Calculated formula: C56 H54 Cl4 Fe2
• SMILES: [Fe]12345678([cH]9[cH]2[c]3(C#Cc2c3cc(C(C)(C)C)cc%10[C@@]3([C@@]3(c(cc(cc3c3c%10cccc3)C(C)(C)C)c2C#C[c]23[cH]%10[Fe]%11%12%13%14%15%162([cH]([cH]%10%12)[cH]3%11)[cH]2[cH]%13[cH]%16[cH]%15[cH]%142)C)C)[cH]1[cH]49)[cH]1[cH]5[cH]7[cH]8[cH]61.ClCCl.ClCCl.[Fe]12345678([cH]9[cH]2[c]3(C#Cc2c3cc(C(C)(C)C)cc%10[C@]3([C@]3(c(cc(cc3c3c%10cccc3)C(C)(C)C)c2C#C[c]23[cH]%10[Fe]%11%12%13%14%15%162([cH]([cH]%10%12)[cH]3%11)[cH]2[cH]%13[cH]%16[cH]%15[cH]%142)C)C)[cH]1[cH]49)[cH]1[cH]5[cH]7[cH]8[cH]61.ClCCl.ClCCl
• Title of publication: Redox-Assisted Ring Closing Reaction of the Photogenerated Cyclophanediene Form of Bis(ferrocenyl)dimethyldihydropyrene with Interferrocene Electronic Communication Switching
• Authors of publication: Satoshi Muratsugu; Shoko Kume; Hiroshi Nishihara
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 7204 - 7205
• a: 16.694 ± 0.006 Å
• b: 25.514 ± 0.009 Å
• c: 11.092 ± 0.004 Å
• α: 90 ± 0.002°
• β: 94.772 ± 0.002°
• γ: 90 ± 0.002°
• Cell volume: 4708 ± 3 ų
• Cell temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No