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Information card for entry 1517780
Preview
| Coordinates | 1517780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H48 N4 S4 |
|---|---|
| Calculated formula | C65 H48 N4 S4 |
| SMILES | S1C(SC(=C1c1ccc(cc1)/C=N/c1ccccc1)c1ccc(cc1)/C=N/c1ccccc1)=C1SC(=C(S1)c1ccc(/C=N/c2ccccc2)cc1)c1ccc(/C=N/c2ccccc2)cc1.c1(ccccc1)C |
| Title of publication | Tunable electrical conductivity in oriented thin films of tetrathiafulvalene-based covalent organic framework |
| Authors of publication | Cai, Song-Liang; Zhang, Yue-Biao; Pun, Andrew B.; He, Bo; Yang, Jinhui; Toma, Francesca M.; Sharp, Ian D.; Yaghi, Omar M.; Fan, Jun; Zheng, Sheng-Run; Zhang, Wei-Guang; Liu, Yi |
| Journal of publication | Chem. Sci. |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 12 |
| Pages of publication | 4693 |
| a | 15.9142 ± 0.0007 Å |
| b | 7.9235 ± 0.0004 Å |
| c | 20.8037 ± 0.001 Å |
| α | 90° |
| β | 106.326 ± 0.003° |
| γ | 90° |
| Cell volume | 2517.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1379 |
| Weighted residual factors for all reflections included in the refinement | 0.1511 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1517780.cif |
| 126329 | 2014-11-06 | cif/ Updating files of 1517779, 1517780 Original log message: Adding full bibliography for 1517779--1517780.cif. |
1517780.cif |
| 123905 | 2014-09-17 | cif/ Adding structures of 1517779, 1517780 via cif-deposit CGI script. |
1517780.cif |
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Users of the data should acknowledge the original authors of the
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