Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4128899
Preview
| Coordinates | 4128899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H112 Mo2 N10 Na O96 P Se W22 |
|---|---|
| Calculated formula | C4.8 Mo1.98 N2.4 O83 P Se W22.02 |
| Title of publication | Anisotropic Polyoxometalate Cages Assembled via Layers of Heteroanion Templates. |
| Authors of publication | Zheng, Qi; Kupper, Manuel; Xuan, Weimin; Oki, Hirofumi; Tsunashima, Ryo; Long, De-Liang; Cronin, Leroy |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 34 |
| Pages of publication | 13479 - 13486 |
| a | 22.557 ± 0.0018 Å |
| b | 22.557 ± 0.0018 Å |
| c | 22.557 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11477.4 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.2043 |
| Weighted residual factors for all reflections included in the refinement | 0.2389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221934 (current) | 2019-11-03 | cif/ Adding structures of 4128899 via cif-deposit CGI script. |
4128899.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.