Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129461
Preview
| Coordinates | 7129461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H36 F9 N2 Np O15 S3 |
|---|---|
| Calculated formula | C21 H36 F9 N2 Np O15 S3 |
| Title of publication | 2.2.2-Cryptand complexes of neptunium(iii) and plutonium(iii) |
| Authors of publication | Goodwin, Conrad A. P.; Ciccone, Sierra R.; Bekoe, Samuel; Majumdar, Sourav; Scott, Brian L.; Ziller, Joseph W.; Gaunt, Andrew J.; Furche, Filipp; Evans, William J. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 18.1717 ± 0.0006 Å |
| b | 19.5134 ± 0.0006 Å |
| c | 19.6504 ± 0.0006 Å |
| α | 63.878 ± 0.003° |
| β | 64.737 ± 0.003° |
| γ | 62.556 ± 0.003° |
| Cell volume | 5328.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.113 |
| Residual factor for significantly intense reflections | 0.0671 |
| Weighted residual factors for significantly intense reflections | 0.1559 |
| Weighted residual factors for all reflections included in the refinement | 0.1888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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 |
|---|---|---|---|
| 271605 (current) | 2021-12-24 | cif/ Adding structures of 7129459, 7129460, 7129461 via cif-deposit CGI script. |
7129461.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.