Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241319
Preview
| Coordinates | 7241319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H87 Br6 N6 Na2 Ni8 O36 P6 |
|---|---|
| Calculated formula | C69 H87 Br6 N6 Na2 Ni8 O36 P6 |
| Title of publication | Octanuclear nickel phosphonate core forming extended and molecular structures |
| Authors of publication | Doroshenko, Iaroslav; Böhme, Michael; Buchholz, Axel; Simonikova, Lucie; Plass, Winfried; Pinkas, Jiri |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 14.5663 ± 0.001 Å |
| b | 18.8563 ± 0.0013 Å |
| c | 20.5672 ± 0.0014 Å |
| α | 96.8765 ± 0.0016° |
| β | 90.3808 ± 0.0017° |
| γ | 104.564 ± 0.002° |
| Cell volume | 5424.3 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0912 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1678 |
| Weighted residual factors for all reflections included in the refinement | 0.1823 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256817 (current) | 2020-09-29 | cif/ Adding structures of 7241317, 7241318, 7241319 via cif-deposit CGI script. |
7241319.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.