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Information card for entry 4517058
Preview
| Coordinates | 4517058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 B9 Co N2 O3 |
|---|---|
| Calculated formula | C14 H20 B9 Co N2 O3 |
| SMILES | [Co]123456(OC(=O)c7[n]1cccc7)[n]1c(C(O)[C]7892[CH]2%103[BH]3%119[BH]9%128[BH]847[BH]476[BH]652[BH]2%10%11[BH]53%12[BH]984[BH]7625)cccc1 |
| Title of publication | Metallosupramolecular Chemistry of Novel Chiral closo-o-Carboranylalcohol Pyridine and Quinoline Ligands: Syntheses, Characterization, and Properties of Cobalt Complexes |
| Authors of publication | Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B.; Aliaga-Alcalde, Núria |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 11 |
| Pages of publication | 5720 |
| a | 9.357 ± 0.005 Å |
| b | 9.914 ± 0.005 Å |
| c | 10.463 ± 0.005 Å |
| α | 96.53 ± 0.007° |
| β | 94.002 ± 0.007° |
| γ | 103.836 ± 0.007° |
| Cell volume | 931.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239715 (current) | 2019-11-24 | cif/ Adding structures of 4517050, 4517051, 4517052, 4517053, 4517054, 4517055, 4517056, 4517057, 4517058 via cif-deposit CGI script. |
4517058.cif |
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Users of the data should acknowledge the original authors of the
structural data.