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Information card for entry 4075062
Preview
| Coordinates | 4075062.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C21 H14 N2 S2 |
|---|---|
| Calculated formula | C21 H14 N2 S2 |
| SMILES | s1c(nc2c1cccc2)c1cc(cc(c1)C)c1sc2ccccc2n1 |
| Title of publication | Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene |
| Authors of publication | Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 16 |
| Pages of publication | 4026 |
| a | 7.5508 ± 0.0016 Å |
| b | 14.336 ± 0.003 Å |
| c | 15.891 ± 0.004 Å |
| α | 90° |
| β | 103.788 ± 0.003° |
| γ | 90° |
| Cell volume | 1670.6 ± 0.7 Å3 |
| Cell temperature | 113.1 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 significantly intense reflections | 0.0805 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4075062.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4075062.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075062.cif |
| 87351 | 2013-08-12 | smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4 |
4075062.cif |
| 49040 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075061, 4075062, 4075063, 4075064 via cif-deposit CGI script. |
4075062.cif |
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Users of the data should acknowledge the original authors of the
structural data.