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Information card for entry 7715209
Preview
| Coordinates | 7715209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H32 B18 Co N |
|---|---|
| Calculated formula | C12 H32 B18 Co N |
| SMILES | [Co]12345678([CH]9%10%11[CH]%12%131[BH]1%146[BH]6%154[BH]439[BH]39%15[BH]%1516[BH]1%12%14[BH]6%10%13[BH]%1143[BH]9%1516)[C@@]134(CCC[n+]6ccccc6)[CH]692[BH]2%103[BH]3%11%12[BH]%13%14%15[BH]51([BH]17%13[BH]53%14[BH]861[BH]9%10%125)[BH]42%11%15 |
| Title of publication | Synthetic routes to carbon substituted cobalt bis(dicarbollide) alkyl halides and aromatic amines along with closely related irregular pathways. |
| Authors of publication | Nekvinda, Jan; Bavol, Dmytro; Litecká, Miroslava; Tüzün, Ece Zeynep; Dušek, Michal; Grüner, Bohumír |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2024 |
| Journal volume | 53 |
| Journal issue | 13 |
| Pages of publication | 5816 - 5826 |
| a | 14.2945 ± 0.0002 Å |
| b | 12.399 ± 0.0001 Å |
| c | 13.3076 ± 0.0001 Å |
| α | 90° |
| β | 106.1 ± 0.001° |
| γ | 90° |
| Cell volume | 2266.1 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0331 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290943 (current) | 2024-04-05 | cif/ Updating files of 7715207, 7715208, 7715209, 7715210, 7715211, 7715212 Original log message: Adding full bibliography for 7715207--7715212.cif. |
7715209.cif |
| 289920 | 2024-02-22 | cif/ Adding structures of 7715207, 7715208, 7715209, 7715210, 7715211, 7715212 via cif-deposit CGI script. |
7715209.cif |
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Users of the data should acknowledge the original authors of the
structural data.