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Information card for entry 7123841
Preview
| Coordinates | 7123841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H44 Co2 N6 O14 |
|---|---|
| Calculated formula | C42 H44 Co2 N6 O14 |
| Title of publication | A Co8 Metallacycle Stabilized by Double Anion-π interactions |
| Authors of publication | Alexandropoulos, Dimitris I.; Dolinar, Brian; Xie, Haomiao; Vignesh, Kuduva; Dunbar, Kim R. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 9.4457 ± 0.0003 Å |
| b | 10.5805 ± 0.0003 Å |
| c | 12.3374 ± 0.0003 Å |
| α | 97.934 ± 0.001° |
| β | 104.922 ± 0.001° |
| γ | 112.445 ± 0.001° |
| Cell volume | 1061.91 ± 0.05 Å3 |
| Cell temperature | 114 ± 1 K |
| Ambient diffraction temperature | 114 ± 1 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 | 0.0282 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0623 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| 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. |
7123841.cif |
| 216985 | 2019-07-13 | cif/ Adding structures of 7123841, 7123842 via cif-deposit CGI script. |
7123841.cif |
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Users of the data should acknowledge the original authors of the
structural data.