Information card for entry 4326591

Structure parameters

• Formula: C47 H38 Cl6 Fe4 N
• Calculated formula: C47 H38 Cl6 Fe4 N
• SMILES: c1(c(c(c([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)n1C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]7[cH]6[cH]1[cH]82.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Influence of Electron Delocalization in Heterocyclic Core Systems on the Electrochemical Communication in 2,5-Di- and 2,3,4,5-Tetraferrocenyl Thiophenes, Furans, and Pyrroles
• Authors of publication: Alexander Hildebrandt; Dieter Schaarschmidt; Ron Claus; Heinrich Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10623 - 10632
• a: 17.6554 ± 0.0004 Å
• b: 41.9726 ± 0.0009 Å
• c: 11.4149 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8458.9 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No