Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4501487
Preview
| Coordinates | 4501487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H34 N4 O10 Pu |
|---|---|
| Calculated formula | C20 H34 N4 O10 Pu |
| SMILES | C1(CCCN1C1CCCCC1)=[O][Pu]12(ON(=[O]1)=O)(=O)(=O)([O]=C1CCCN1C1CCCCC1)ON(=[O]2)=O |
| Title of publication | Molecular and Crystal Structures of Plutonyl(VI) Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Cocrystallization Potentiality of UVIand PuVI |
| Authors of publication | Kim, Seong-Yun; Takao, Koichiro; Haga, Yoshinori; Yamamoto, Etsuji; Kawata, Yoshihisa; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 2033 |
| a | 7.0236 ± 0.0005 Å |
| b | 18.4311 ± 0.0012 Å |
| c | 10.5097 ± 0.0007 Å |
| α | 90° |
| β | 102.255 ± 0.002° |
| γ | 90° |
| Cell volume | 1329.51 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4501487.cif |
| 179545 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/14. |
4501487.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501487.cif |
| 35948 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501487, 4501488 via cif-deposit CGI script. |
4501487.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.