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Information card for entry 4001096
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4001096.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H16 Br2 Fe N4 O2 |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4001096.html
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Users of the data should acknowledge the original authors of the
structural data.