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Information card for entry 4517057
Preview
| Coordinates | 4517057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H32 B20 Co N2 O2 |
|---|---|
| Calculated formula | C16 H32 B20 Co N2 O2 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%10[BH]%1068[BH]625[BH]251[CH]4%12([C]379%11[C@H]1O[Co]3([n]4c1cccc4)[n]1c([C@H]([C]4789[BH]%11%12%16[BH]%17%184[BH]4%197[BH]7%208[BH]8%21%19[BH]%19%184[BH]4%12%17[BH]%12%17%11[CH]9%167[BH]%208%12[BH]%21%194%17)O3)cccc1)[BH]%13%142[BH]%15%1065 |
| 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 | 10.9367 ± 0.0002 Å |
| b | 10.1603 ± 0.0002 Å |
| c | 13.3471 ± 0.0003 Å |
| α | 90° |
| β | 111.161 ± 0.001° |
| γ | 90° |
| Cell volume | 1383.12 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4517057.cif |
| 239715 | 2019-11-24 | cif/ Adding structures of 4517050, 4517051, 4517052, 4517053, 4517054, 4517055, 4517056, 4517057, 4517058 via cif-deposit CGI script. |
4517057.cif |
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