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Information card for entry 2238144
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| Coordinates | 2238144.cif |
|---|---|
| Structure factors | 2238144.hkl |
| Original IUCr paper | HTML |
| Chemical name | {4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(ethanol-κ<i>O</i>)dioxidouranium(VI) |
|---|---|
| Formula | C19 H20 Br N3 O5 S U |
| Calculated formula | C18.9988 H19.998 Br N3 O5 S0.9996 U |
| Title of publication | {4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(ethanol-κ<i>O</i>)dioxidouranium(VI) |
| Authors of publication | Centore, Roberto; Ahmadi, Mehdi; Peluso, Andrea |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m362 - m363 |
| a | 10.372 ± 0.0017 Å |
| b | 11.138 ± 0.0014 Å |
| c | 11.167 ± 0.001 Å |
| α | 69.428 ± 0.01° |
| β | 86.87 ± 0.011° |
| γ | 70.379 ± 0.01° |
| Cell volume | 1134.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (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 2/23/81. |
2238144.cif 2238144.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. |
2238144.cif 2238144.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238144.cif 2238144.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238144.cif 2238144.hkl |
| 87384 | 2013-08-27 | cif/ Adding structures of 2238144 via cif-deposit CGI script. |
2238144.cif |
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Users of the data should acknowledge the original authors of the
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