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Information card for entry 1504363
Preview
| Coordinates | 1504363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C55 H51 Cl3 N4 S8 |
|---|---|
| Calculated formula | C55 H51 Cl3 N4 S8 |
| SMILES | c1c(cc2ccc3cc(cnc3c2n1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1)c1ccc(c2c(c(c(c3ccc(s3)SC#N)s2)CCCC)CCCC)s1.C(Cl)(Cl)Cl |
| Title of publication | Effects of Metal−Ion Complexation for the Self-Assembled Nanocomposite Films Composed of Gold Nanoparticles and 3,8-Bis(terthiophenyl)phenanthroline-Based Dithiols Bridging 1 μm Gap Gold Electrodes: Morphology, Temperature Dependent Electronic Conduction, and Photoresponse |
| Authors of publication | Huang, Wei; Tanaka, Hirofumi; Ogawa, Takuji |
| Journal of publication | Journal of Physical Chemistry C |
| Year of publication | 2008 |
| Journal volume | 112 |
| Journal issue | 30 |
| Pages of publication | 11513 |
| a | 13.388 ± 0.003 Å |
| b | 13.833 ± 0.003 Å |
| c | 16.353 ± 0.003 Å |
| α | 80.08 ± 0.03° |
| β | 80.02 ± 0.03° |
| γ | 65.63 ± 0.03° |
| Cell volume | 2699.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0936 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1647 |
| Weighted residual factors for all reflections included in the refinement | 0.1738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504363.cif |
| 176729 | 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. |
1504363.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504363.cif |
| 41987 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504363 via cif-deposit CGI script. |
1504363.cif |
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