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Information card for entry 8104972
Preview
| Coordinates | 8104972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Br4 Co N6 O3 |
|---|---|
| Calculated formula | C21 H23 Br4 Co N6 O3 |
| SMILES | Brc1c2O[Co]345(Oc6c(C=[N]5CCC[NH]4CCC[N]3=Cc2cc(Br)c1)cc(Br)cc6Br)N=N#N.OC |
| Title of publication | Crystal structure of azido-k1 N-{6,6′-((((methylazanediyl)bis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2,4-dibromophenolato)k5 N,N′,N″,O,O′}cobalt(III)-methanol (1/1)), C21H23Br4CoN6O3 |
| Authors of publication | Duan, Rui; Tian, Hui; Guojun, Yu; Wu, Qiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 101 - 103 |
| a | 16.23 ± 0.0004 Å |
| b | 20.9661 ± 0.0006 Å |
| c | 7.8269 ± 0.0002 Å |
| α | 90° |
| β | 97.225 ± 0.0011° |
| γ | 90° |
| Cell volume | 2642.19 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274166 (current) | 2022-03-31 | cif/ Adding structures of 8104972 via cif-deposit CGI script. |
8104972.cif |
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Users of the data should acknowledge the original authors of the
structural data.