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Information card for entry 4517051
Preview
| Coordinates | 4517051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H42 B20 Cl2 Co N2 O4 |
|---|---|
| Calculated formula | C18 H42 B20 Cl2 Co N2 O4 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]379([CH]34%11[BH]471[BH]125[BH]268[BH]5%10%12[BH]%1334[BH]7125)[C@@H]1c2cccc[n]2[Co]2([OH]1)(Cl)([n]1c([C@@H]([C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[CH]569[BH]697[BH]78%10[BH]8%113[BH]3%124[BH]%1356[BH]9783)[OH]2)cccc1)Cl.CO.CO |
| 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 | 18.545 ± 0.004 Å |
| b | 13.04 ± 0.003 Å |
| c | 14.563 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3521.7 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| 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. |
4517051.cif |
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Users of the data should acknowledge the original authors of the
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