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Information card for entry 7123030
Preview
| Coordinates | 7123030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H22 B10 N2 S |
|---|---|
| Calculated formula | C10 H22 B10 N2 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 | 8.2222 ± 0.0007 Å |
| b | 16.0093 ± 0.0012 Å |
| c | 6.8094 ± 0.0005 Å |
| α | 90° |
| β | 98.739 ± 0.005° |
| γ | 90° |
| Cell volume | 885.93 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0655 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| 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. |
7123030.cif |
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Users of the data should acknowledge the original authors of the
structural data.