Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574881
Preview
| Coordinates | 1574881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H86 N2 O28 P4 Se12 Si W12 |
|---|---|
| Calculated formula | C100 H86 N2 O28 P4 Se12 Si W12 |
| Title of publication | Synthesis of a Keggin-type polyoxoselenidotungstate via site-selective oxygen-to-selenium substitution |
| Authors of publication | Yonesato, Kentaro; Watanabe, Yota; Pascual-Borràs, Magda; Errington, Robert John; Yamaguchi, Kazuya; Suzuki, Kosuke |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 13.76778 ± 0.0001 Å |
| b | 14.64503 ± 0.0001 Å |
| c | 17.18784 ± 0.00013 Å |
| α | 68.0094 ± 0.0007° |
| β | 68.5531 ± 0.0007° |
| γ | 89.6202 ± 0.0006° |
| Cell volume | 2956.65 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.413 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300097 (current) | 2025-06-17 | cif/ Adding structures of 1574880, 1574881 via cif-deposit CGI script. |
1574881.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.