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Information card for entry 4512386
Preview
| Coordinates | 4512386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H34 Cl4 N4 O2 U |
|---|---|
| Calculated formula | C18 H34 Cl4 N4 O2 U |
| SMILES | c1(C)n(cc[n+]1C)CCCC.O=[U](Cl)(=O)(Cl)(Cl)Cl.c1(C)n(cc[n+]1C)CCCC |
| Title of publication | Crystallization in Ionic Liquids: Synthesis, Properties, and Polymorphs of Uranyl Salts |
| Authors of publication | Qu, Feng; Zhu, Qian-Qian; Liu, Chun-Li |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 6421 |
| a | 10.3975 ± 0.0002 Å |
| b | 13.52281 ± 0.00019 Å |
| c | 10.3966 ± 0.0002 Å |
| α | 90° |
| β | 116.879 ± 0.003° |
| γ | 90° |
| Cell volume | 1303.87 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0226 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0376 |
| Weighted residual factors for all reflections included in the refinement | 0.0394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179670 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/23. |
4512386.cif |
| 131334 | 2015-02-07 | cif/ Updating files of 4512377, 4512378, 4512379, 4512380, 4512381, 4512382, 4512383, 4512384, 4512385, 4512386 Original log message: Adding full bibliography for 4512377--4512386.cif. |
4512386.cif |
| 127612 | 2014-11-21 | cif/ Adding structures of 4512377, 4512378, 4512379, 4512380, 4512381, 4512382, 4512383, 4512384, 4512385, 4512386 via cif-deposit CGI script. |
4512386.cif |
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Users of the data should acknowledge the original authors of the
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