Information card for entry 4001096

Structure parameters

• Formula: C26 H16 Br2 Fe N4 O2
• Calculated formula: C26 H16 Br2 Fe N4 O2
• SMILES: Brc1ccc(cc1)c1oc(nn1)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[c]9([cH]8[cH]7[cH]61)c1oc(nn1)c1ccc(Br)cc1
• Title of publication: Electrochemical Deposition of Bis(N,N′-diphenylaminoaryl) Substituted Ferrocenes, and Their Application as a Hole-Injection Layer on Polymeric Light-Emitting Diodes
• Authors of publication: Chiang, Chao Cheng; Chen, Hong-Chun; Lee, Chin-sheng; Leung, Man-kit; Lin, Kun-Rung; Hsieh, Kuo-Huang
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 540
• a: 7.326 ± 0.0001 Å
• b: 27.768 ± 0.0003 Å
• c: 11.572 ± 0.0001 Å
• α: 90°
• β: 100.063 ± 0.001°
• γ: 90°
• Cell volume: 2317.86 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.1142
• Goodness-of-fit parameter for all reflections: 0.975
• Goodness-of-fit parameter for significantly intense reflections: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No