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Information card for entry 7123029
Preview
| Coordinates | 7123029.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H39 B11 N4 O S |
|---|---|
| Calculated formula | C18 H39 B11 N4 O S |
| Title of publication | Thiaborane clusters with the exoskeletal B-H group |
| Authors of publication | Vrana, Jan; Holub, Josef; Samsonov, Maksim Andreevich; Ruzickova, Zdenka; Fanfrlik, Jindrich; Hnyk, Drahomír; Růžička, Aleš |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 8.831 ± 0.003 Å |
| b | 10.884 ± 0.002 Å |
| c | 15.634 ± 0.003 Å |
| α | 71.461 ± 0.005° |
| β | 76.041 ± 0.012° |
| γ | 71.517 ± 0.012° |
| Cell volume | 1334.6 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1401 |
| Residual factor for significantly intense reflections | 0.0813 |
| Weighted residual factors for significantly intense reflections | 0.1882 |
| Weighted residual factors for all reflections included in the refinement | 0.2108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213769 (current) | 2019-02-22 | cif/ Adding structures of 7123029, 7123030, 7123031, 7123032, 7123033, 7123034, 7123035, 7123036 via cif-deposit CGI script. |
7123029.cif |
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Users of the data should acknowledge the original authors of the
structural data.