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Information card for entry 7126378
Preview
| Coordinates | 7126378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C184 H72 B4 Cl12 F80 N8 Ni4 O6 |
|---|---|
| Calculated formula | C184 H72 B4 Cl12 F80 N8 Ni4 O6 |
| Title of publication | A tetranuclear nickel cluster isolated in multiple high-valent states. |
| Authors of publication | Jacob, Samuel I.; Douair, Iskander; Wu, Guang; Maron, Laurent; Ménard, Gabriel |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 59 |
| Pages of publication | 8182 - 8185 |
| a | 17.902 ± 0.0012 Å |
| b | 28.102 ± 0.0016 Å |
| c | 19.0679 ± 0.0011 Å |
| α | 90° |
| β | 90.382 ± 0.004° |
| γ | 90° |
| Cell volume | 9592.5 ± 1 Å3 |
| Cell temperature | 99.96 K |
| Ambient diffraction temperature | 99.96 K |
| Number of distinct elements | 8 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.2041 |
| Residual factor for significantly intense reflections | 0.1122 |
| Weighted residual factors for significantly intense reflections | 0.3049 |
| Weighted residual factors for all reflections included in the refinement | 0.405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2705 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7126378.cif |
| 254904 | 2020-08-06 | cif/ Updating files of 7126375, 7126376, 7126377, 7126378 Original log message: Adding full bibliography for 7126375--7126378.cif. |
7126378.cif |
| 250828 | 2020-04-16 | cif/ Adding structures of 7126375, 7126376, 7126377, 7126378 via cif-deposit CGI script. |
7126378.cif |
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Users of the data should acknowledge the original authors of the
structural data.