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Information card for entry 1545550
Preview
| Coordinates | 1545550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C100 H112 N8 O2 S2 U2 |
|---|---|
| Calculated formula | C100 H112 N8 O2 S2 U2 |
| Title of publication | Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes |
| Authors of publication | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 3609 |
| a | 17.3745 ± 0.0005 Å |
| b | 34.224 ± 0.0008 Å |
| c | 17.013 ± 0.0005 Å |
| α | 90° |
| β | 112.037 ± 0.003° |
| γ | 90° |
| Cell volume | 9377.3 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.1019 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1545550.cif |
| 196334 | 2017-05-06 | cif/ Updating files of 1545549, 1545550, 1545551, 1545552, 1545553 Original log message: Adding full bibliography for 1545549--1545553.cif. |
1545550.cif |
| 194176 | 2017-03-11 | cif/ Adding structures of 1545549, 1545550, 1545551, 1545552, 1545553 via cif-deposit CGI script. |
1545550.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.