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Information card for entry 4501488
Preview
| Coordinates | 4501488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H34 N4 O10 Pu |
|---|---|
| Calculated formula | C18 H30 N4 O10 Pu |
| SMILES | [Pu]12(=O)(=O)([O]=C3N(CCC3)CC(C)(C)C)([O]=C3N(CCC3)CC(C)(C)C)([O]=N(=O)O1)[O]=N(=O)O2 |
| 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 | 9.8161 ± 0.0003 Å |
| b | 10.3389 ± 0.0003 Å |
| c | 14.5174 ± 0.0004 Å |
| α | 100.204 ± 0.001° |
| β | 98.402 ± 0.001° |
| γ | 112.979 ± 0.001° |
| Cell volume | 1296.74 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179545 (current) | 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. |
4501488.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501488.cif |
| 35948 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501487, 4501488 via cif-deposit CGI script. |
4501488.cif |
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