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Information card for entry 2233835
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| Coordinates | 2233835.cif |
|---|---|
| Structure factors | 2233835.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Butan-2-ol-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 | C21 H25 N3 O5 S U |
| Calculated formula | C20.998 H25 N2.998 O5 S U |
| Title of publication | (Butan-2-ol-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; Najafi, Atefeh; 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 | m255 - m256 |
| a | 11.3803 ± 0.0002 Å |
| b | 14.3999 ± 0.0003 Å |
| c | 14.0264 ± 0.0004 Å |
| α | 90° |
| β | 97.326 ± 0.002° |
| γ | 90° |
| Cell volume | 2279.81 ± 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (current) | 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. |
2233835.cif 2233835.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. |
2233835.cif 2233835.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233835.cif 2233835.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. | 2233835.cif 2233835.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233835.cif 2233835.hkl |
| 51087 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233835 via cif-deposit CGI script. |
2233835.cif |
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Users of the data should acknowledge the original authors of the
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