Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123031
Preview
| Coordinates | 7123031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H37 B11 N4 O S |
|---|---|
| Calculated formula | C17 H37 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 | 8.4015 ± 0.0005 Å |
| b | 11.3344 ± 0.0007 Å |
| c | 15.3636 ± 0.0009 Å |
| α | 72.113 ± 0.002° |
| β | 78.085 ± 0.002° |
| γ | 68.708 ± 0.002° |
| Cell volume | 1289.81 ± 0.14 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1181 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
7123031.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.