Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104968
Preview
| Coordinates | 8104968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H26 B2 F18 Mn N12 |
|---|---|
| Calculated formula | C30 H26 B2 F18 Mn N12 |
| Title of publication | Crystal structure of bis{hydridotris(3-trifluoromethyl-5-methylpyrazolyl-1-yl)borato-κN 3}manganese(II), C30H26B2F18MnN12 |
| Authors of publication | Ikarugi, Riko; Fujisawa, Kiyoshi; Tiekink, Edward R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 85 - 87 |
| a | 10.5322 ± 0.0003 Å |
| b | 10.6475 ± 0.0004 Å |
| c | 10.989 ± 0.0004 Å |
| α | 111.755 ± 0.003° |
| β | 99.1 ± 0.002° |
| γ | 112.74 ± 0.003° |
| Cell volume | 988.07 ± 0.08 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.088 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274162 (current) | 2022-03-31 | cif/ Adding structures of 8104968 via cif-deposit CGI script. |
8104968.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.