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Information card for entry 7248613
Preview
| Coordinates | 7248613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H22 Cl2 Cu S2 |
|---|---|
| Calculated formula | C12 H22 Cl2 Cu S2 |
| 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 | 8.7545 ± 0.0014 Å |
| b | 10.0042 ± 0.0015 Å |
| c | 11.2498 ± 0.0015 Å |
| α | 64.22 ± 0.006° |
| β | 70.764 ± 0.006° |
| γ | 82.779 ± 0.007° |
| Cell volume | 837.5 ± 0.2 Å3 |
| Cell temperature | 115 ± 0.1 K |
| Ambient diffraction temperature | 115 ± 0.1 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0638 |
| Weighted residual factors for all reflections included in the refinement | 0.0673 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
7248613.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. |
7248613.cif |
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Users of the data should acknowledge the original authors of the
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