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Information card for entry 4135126
Preview
| Coordinates | 4135126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C240 H264 Cl2 Cu32 P2 S24 |
|---|---|
| Calculated formula | C240 H264 Cl2 Cu32 P2 S24 |
| Title of publication | [Cu32(PET)24H8Cl2](PPh4)2: A Copper Hydride Nanocluster with a Bisquare Antiprismatic Core. |
| Authors of publication | Lee, Sanghwa; Bootharaju, Megalamane S.; Deng, Guocheng; Malola, Sami; Baek, Woonhyuk; Häkkinen, Hannu; Zheng, Nanfeng; Hyeon, Taeghwan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 18.5763 ± 0.0007 Å |
| b | 19.8786 ± 0.0008 Å |
| c | 20.7652 ± 0.0007 Å |
| α | 116.547 ± 0.004° |
| β | 103.456 ± 0.003° |
| γ | 104.134 ± 0.004° |
| Cell volume | 6113.7 ± 0.6 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2482 |
| Residual factor for significantly intense reflections | 0.1726 |
| Weighted residual factors for significantly intense reflections | 0.4704 |
| Weighted residual factors for all reflections included in the refinement | 0.6203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.282 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254705 (current) | 2020-08-01 | cif/ Adding structures of 4135126 via cif-deposit CGI script. |
4135126.cif |
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