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Information card for entry 7135099
Preview
| Coordinates | 7135099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H168 Cu8 Si8 |
|---|---|
| Calculated formula | C88 H168 Cu8 Si8 |
| Title of publication | Base Mediated Alkynyl-Cubane to Cu8-Alkynide Cluster Transformation |
| Authors of publication | Gupta, Arvind Kumar; Fayet, Océane Y. O.; Tian, Lei; Orthaber, Andreas; Berger, Raphael; Lomoth, Reiner |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 14.9963 ± 0.0011 Å |
| b | 22.5357 ± 0.0016 Å |
| c | 30.877 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10434.9 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0804 |
| Weighted residual factors for significantly intense reflections | 0.2178 |
| Weighted residual factors for all reflections included in the refinement | 0.2516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302973 (current) | 2025-10-24 | cif/ Adding structures of 7135098, 7135099 via cif-deposit CGI script. |
7135099.cif |
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Users of the data should acknowledge the original authors of the
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