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Information card for entry 7226363
Preview
| Coordinates | 7226363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H50 Cu4 I4 N S3 |
|---|---|
| Calculated formula | C36 H50 Cu4 I4 N S3 |
| Title of publication | The 3D [(Cu2Br2){μ-EtS(CH2)4SEt}]n material: a rare example of a coordination polymer exhibiting triplet-triplet annihilation. |
| Authors of publication | Bonnot, Antoine; Karsenti, Paul-Ludovic; Juvenal, Frank; Golz, Christopher; Strohmann, Carsten; Fortin, Daniel; Knorr, Michael; Harvey, Pierre D. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 36 |
| Pages of publication | 24845 - 24849 |
| a | 12.773 ± 0.002 Å |
| b | 13.042 ± 0.002 Å |
| c | 13.81 ± 0.002 Å |
| α | 76.503 ± 0.003° |
| β | 78.2 ± 0.003° |
| γ | 83.064 ± 0.003° |
| Cell volume | 2183.3 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0233 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0407 |
| Weighted residual factors for all reflections included in the refinement | 0.0417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187202 (current) | 2016-10-08 | cif/ Updating files of 7226363, 7226364 Original log message: Adding full bibliography for 7226363--7226364.cif. |
7226363.cif |
| 186012 | 2016-08-26 | cif/ Adding structures of 7226363, 7226364 via cif-deposit CGI script. |
7226363.cif |
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Users of the data should acknowledge the original authors of the
structural data.