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Information card for entry 7126490
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| Coordinates | 7126490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H36 Cl6 Cu12 N6 S6 |
|---|---|
| Calculated formula | C6 Cl6 Cu12 N6 S6 |
| Title of publication | A supersalt-type copper(i)-thiolate cluster with applications for mechano/thermochromism and the oxygen evolution reaction. |
| Authors of publication | Hu, Lanxia; Zheng, Aiping; Kang, Yao; Wen, Tian; Zhang, Jian |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 28 |
| Pages of publication | 3967 - 3970 |
| a | 12.3881 ± 0.0002 Å |
| b | 12.3881 ± 0.0002 Å |
| c | 12.3881 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1901.14 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.2678 |
| Weighted residual factors for all reflections included in the refinement | 0.2711 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251491 (current) | 2020-05-04 | cif/ Adding structures of 7126490 via cif-deposit CGI script. |
7126490.cif |
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Users of the data should acknowledge the original authors of the
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