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Information card for entry 7127563
Preview
| Coordinates | 7127563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Co_tBudhbpy_py2_PF6 |
|---|---|
| Formula | C96 H112 Co2 F12 N8 O4 P2 |
| Calculated formula | C96 H112 Co2 F12 N8 O4 P2 |
| Title of publication | Reduction of dioxygen to water by a Co(N<sub>2</sub>O<sub>2</sub>) complex with a 2,2'-bipyridine backbone. |
| Authors of publication | Nichols, Asa W.; Kuehner, Joseph S.; Huffman, Brittany L.; Miedaner, Peter R.; Dickie, Diane A.; Machan, Charles W. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 516 - 519 |
| a | 14.1019 ± 0.0016 Å |
| b | 19.733 ± 0.002 Å |
| c | 21.198 ± 0.002 Å |
| α | 101.081 ± 0.003° |
| β | 101.266 ± 0.003° |
| γ | 100.857 ± 0.003° |
| Cell volume | 5518.7 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1465 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1525 |
| Weighted residual factors for all reflections included in the refinement | 0.1928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7127563.cif |
| 261538 | 2021-02-05 | cif/ Updating files of 7127563 Original log message: Adding full bibliography for 7127563.cif. |
7127563.cif |
| 259782 | 2020-12-11 | cif/ Adding structures of 7127563 via cif-deposit CGI script. |
7127563.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.