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Information card for entry 7248619
Preview
| Coordinates | 7248619.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H14 Br2 Cu N S |
|---|---|
| Calculated formula | C8 H14 Br2 Cu N S |
| Title of publication | Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties |
| Authors of publication | Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 2953 - 2975 |
| a | 8.1661 ± 0.0004 Å |
| b | 10.2416 ± 0.0005 Å |
| c | 15.1301 ± 0.0006 Å |
| α | 90° |
| β | 98.034 ± 0.002° |
| γ | 90° |
| Cell volume | 1252.97 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0308 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292943 (current) | 2024-07-05 | cif/ Updating files of 7248612, 7248613, 7248614, 7248615, 7248616, 7248617, 7248618, 7248619, 7248620, 7248621, 7248622, 7248623, 7248624, 7248625, 7248626, 7248627, 7248628, 7248629, 7248630, 7248631 Original log message: Adding full bibliography for 7248612--7248631.cif. |
7248619.cif |
| 291864 | 2024-05-16 | cif/ Adding structures of 7248612, 7248613, 7248614, 7248615, 7248616, 7248617, 7248618, 7248619, 7248620, 7248621, 7248622, 7248623, 7248624, 7248625, 7248626, 7248627, 7248628, 7248629, 7248630, 7248631 via cif-deposit CGI script. |
7248619.cif |
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Users of the data should acknowledge the original authors of the
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