Information card for entry 4001097

Structure parameters

• Formula: C30 H25 Fe N
• Calculated formula: C30 H25 Fe N
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[c]81/C=C/c1ccc(N(c2ccccc2)c2ccccc2)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: 7.9522 ± 0.0016 Å
• b: 10.827 ± 0.002 Å
• c: 14.369 ± 0.003 Å
• α: 109.02 ± 0.03°
• β: 91.8 ± 0.03°
• γ: 103.57 ± 0.03°
• Cell volume: 1129.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.14
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No