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Information card for entry 4122898
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| Coordinates | 4122898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Pt(tdt)(dbbpy)[TENF], 0.5benzene |
|---|---|
| Chemical name | {(3,4-Toluenedithiolato)-(4,4'-di-t-butyl-2,2'-bipyridine)-platinum(ii)} {2,4,5,7-Tetranitro-9-fluorenone}, half benzene solvate |
| Formula | C41 H37 N6 O9 Pt S2 |
| Calculated formula | C41 H37 N6 O9 Pt S2 |
| Title of publication | Synthesis, Spectroscopic Properties, and Photoconductivity of Black Absorbers Consisting of Pt(Bipyridine)(Dithiolate) Charge Transfer Complexes in the Presence and Absence of Nitrofluorenone Acceptors. |
| Authors of publication | Browning, Charles; Hudson, Joshua M.; Reinheimer, Eric W.; Kuo, Fang-Ling; McDougald, Jr, Roy N; Rabaâ, Hassan; Pan, Hongjun; Bacsa, John; Wang, Xiaoping; Dunbar, Kim R.; Shepherd, Nigel D.; Omary, Mohammad A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Pages of publication | 141107065104007 |
| a | 23.128 ± 0.002 Å |
| b | 7.164 ± 0.0006 Å |
| c | 25.474 ± 0.002 Å |
| α | 90° |
| β | 109.19 ± 0.001° |
| γ | 90° |
| Cell volume | 3986.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0833 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179030 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28. |
4122898.cif |
| 126665 | 2014-11-08 | cif/ Adding structures of 4122895, 4122896, 4122897, 4122898 via cif-deposit CGI script. |
4122898.cif |
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Users of the data should acknowledge the original authors of the
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