Information card for entry 4326590

Structure parameters

• Formula: C24 H20 Fe2 O
• Calculated formula: C24 H20 Fe2 O
• SMILES: c1cc([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[cH]93)oc1[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• 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: 8.2145 ± 0.0001 Å
• b: 22.6539 ± 0.0004 Å
• c: 9.8332 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1829.86 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No