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Information card for entry 7135098
Preview
| Coordinates | 7135098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H88 Cl4 Cu4 Si4 |
|---|---|
| Calculated formula | C44 H88 Cl4 Cu4 Si4 |
| 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 | 7.4937 ± 0.0008 Å |
| b | 13.8967 ± 0.0018 Å |
| c | 27.206 ± 0.003 Å |
| α | 100.646 ± 0.007° |
| β | 91.838 ± 0.006° |
| γ | 91.599 ± 0.006° |
| Cell volume | 2781.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.0939 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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. |
7135098.cif |
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Users of the data should acknowledge the original authors of the
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