Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1569249
Preview
| Coordinates | 1569249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C118 H261 N10 O43 W13 |
|---|---|
| Calculated formula | C118 H261 N10 O43 W13 |
| Title of publication | A thirty-year old mystery solved: identification of a new heptatungstate from non-aqueous solutions. |
| Authors of publication | Shiels, Dominic; Pascual-Borràs, Magda; Waddell, Paul G.; Wills, Corinne; Poblet, Josep-Maria; Errington, R. John |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| Journal volume | 59 |
| Journal issue | 51 |
| Pages of publication | 7919 - 7922 |
| a | 32.1867 ± 0.0008 Å |
| b | 17.5143 ± 0.0004 Å |
| c | 28.2674 ± 0.0007 Å |
| α | 90° |
| β | 90.691 ± 0.002° |
| γ | 90° |
| Cell volume | 15934 ± 0.7 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284838 (current) | 2023-07-05 | cif/ Updating files of 1569248, 1569249 Original log message: Adding full bibliography for 1569248--1569249.cif. |
1569249.cif |
| 284098 | 2023-06-01 | cif/ Adding structures of 1569248, 1569249 via cif-deposit CGI script. |
1569249.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.