Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2233832
Preview
| Coordinates | 2233832.cif |
|---|---|
| Structure factors | 2233832.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (Dimethyl sulfoxide-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato-κ<i>O</i>]dioxidouranium(VI) |
|---|---|
| Formula | C19 H21 N3 O5 S2 U |
| Calculated formula | C19 H21 N3 O5 S2 U |
| Title of publication | (Dimethyl sulfoxide-κ<i>O</i>)[2-({(ethylsulfanyl)[2-(2-oxidobenzylidene-κ<i>O</i>)hydrazinylidene-κ<i>N</i>^2^]methyl}iminomethyl)phenolato-κ<i>O</i>]dioxidouranium(VI) |
| Authors of publication | Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m244 - m245 |
| a | 11.6988 ± 0.0003 Å |
| b | 15.4972 ± 0.0003 Å |
| c | 12.2246 ± 0.0003 Å |
| α | 90° |
| β | 105.714 ± 0.003° |
| γ | 90° |
| Cell volume | 2133.47 ± 0.09 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0386 |
| Residual factor for significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0592 |
| Weighted residual factors for all reflections included in the refinement | 0.0633 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2233832.cif 2233832.hkl |
| 211394 | 2018-10-11 | cif/2/23/38/ Correcting the _chemical_name_systematic data item value in entry 2233832 by replacing the '<\i>' tag with '</i>' tag. |
2233832.cif 2233832.hkl |
| 181260 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/38. |
2233832.cif 2233832.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233832.cif 2233832.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233832.cif 2233832.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233832.cif 2233832.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233832.cif 2233832.hkl |
| 51084 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233832 via cif-deposit CGI script. |
2233832.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.