Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7226820
Preview
| Coordinates | 7226820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H92 N4 Ni4 O16 |
|---|---|
| Calculated formula | C46 N4 Ni4 O16 |
| Title of publication | {Co(II/III)5} horseshoe and {Ni(II)4} lacunary cubane coordination clusters: the isobutyrate/N-butyldiethanolamine reaction system |
| Authors of publication | Schmitz, Sebastian; Monakhov, Kirill; van Leusen, Jan; Izarova, Natalya V.; Heß, Volkmar; Kögerler, Paul |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 13.0935 ± 0.00014 Å |
| b | 19.21243 ± 0.00019 Å |
| c | 22.816 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5739.55 ± 0.11 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1264 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187391 (current) | 2016-10-18 | cif/ Adding structures of 7226819, 7226820 via cif-deposit CGI script. |
7226820.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.