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Information card for entry 7216549
Preview
| Coordinates | 7216549.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C38H40N2O15S4U |
|---|---|
| Formula | C38 H40 N2 O15 S4 U |
| Calculated formula | C38 H40 N2 O15 S4 U |
| SMILES | [U](OS(=O)(=O)c1ccc(cc1)C)(=O)(OS(=O)(=O)c1ccc(cc1)C)(OS(=O)(=O)c1ccc(cc1)C)(=O)(=O)OS(=O)(=O)c1ccc(cc1)C.[nH+]1ccccc1.[nH+]1ccccc1 |
| Title of publication | Ionothermal effects on low-dimensionality uranyl compounds using task specific ionic liquids |
| Authors of publication | Smith, P. A.; Burns, P. C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 31 |
| Pages of publication | 7244 |
| a | 12.3917 ± 0.0015 Å |
| b | 36.745 ± 0.004 Å |
| c | 10.2457 ± 0.0012 Å |
| α | 90° |
| β | 112.19 ± 0.0013° |
| γ | 90° |
| Cell volume | 4319.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0677 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| 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 |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7216549.cif |
| 180496 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65. |
7216549.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7216549.cif |
| 121591 | 2014-08-08 | cif/ Updating files of 7216548, 7216549 Original log message: Adding full bibliography for 7216548--7216549.cif. |
7216549.cif |
| 116485 | 2014-06-13 | cif/ Adding structures of 7216548, 7216549 via cif-deposit CGI script. |
7216549.cif |
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