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Information card for entry 7701073
Preview
| Coordinates | 7701073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H13 I N2 S3 |
|---|---|
| Calculated formula | C15 H13 I N2 S3 |
| Title of publication | Synthesis and electropolymerization of N-heterocyclic carbene complexes of Pd(ii) and Pt(ii) from an emissive imidazolium salt with a terthiophene backbone. |
| Authors of publication | Wang, Weiran; Guo, Hongyu; Jones, Richard A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 38 |
| Pages of publication | 14440 - 14449 |
| a | 10.5465 ± 0.0014 Å |
| b | 12.5852 ± 0.0017 Å |
| c | 13.9485 ± 0.0018 Å |
| α | 73.117 ± 0.003° |
| β | 73.645 ± 0.004° |
| γ | 87.82 ± 0.004° |
| Cell volume | 1698 ± 0.4 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.0492 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.1045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701073.cif |
| 224552 | 2019-11-08 | cif/ Updating files of 7701073, 7701074, 7701075, 7701076 Original log message: Adding full bibliography for 7701073--7701076.cif. |
7701073.cif |
| 218060 | 2019-09-07 | cif/ Adding structures of 7701073, 7701074, 7701075, 7701076 via cif-deposit CGI script. |
7701073.cif |
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Users of the data should acknowledge the original authors of the
structural data.