Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241317
Preview
| Coordinates | 7241317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H55 N3 Na Ni4 O18 P3 |
|---|---|
| Calculated formula | C35 H55 N3 Na Ni4 O18 P3 |
| 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 | 18.4309 ± 0.0002 Å |
| b | 13.5312 ± 0.0001 Å |
| c | 18.5524 ± 0.0002 Å |
| α | 90° |
| β | 97.887 ± 0.001° |
| γ | 90° |
| Cell volume | 4583.06 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256817 (current) | 2020-09-29 | cif/ Adding structures of 7241317, 7241318, 7241319 via cif-deposit CGI script. |
7241317.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.