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Information card for entry 2236149
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| Coordinates | 2236149.cif |
|---|---|
| Structure factors | 2236149.hkl |
| Original IUCr paper | HTML |
| Chemical name | Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI) |
|---|---|
| Formula | C19 H18 N6 O8 U |
| Calculated formula | C19 H18 N6 O8 U |
| SMILES | [U]12(=O)(=O)(OC(=O)c3[n]1cccc3)(OC(=O)c1[n]2cccc1)OC(=O)c1ncccc1.NC(=[NH2+])N |
| Title of publication | Guanidinium dioxidobis(picolinato-κ^2^<i>N</i>,<i>O</i>)(picolinato-κ<i>O</i>)uranate(VI) |
| Authors of publication | Mishkevich, Vitalii I.; Grigoriev, Mikhail S.; Fedosseev, Alexandre M.; Moisy, Philippe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1243 |
| a | 16.3842 ± 0.0004 Å |
| b | 13.1678 ± 0.0003 Å |
| c | 21.2743 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4589.8 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181283 (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 2/23/61. |
2236149.cif 2236149.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. |
2236149.cif 2236149.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236149.cif 2236149.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. | 2236149.cif 2236149.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236149.cif 2236149.hkl |
| 69694 | 2012-12-21 | cif/ Adding structures of 2236149 via cif-deposit CGI script. |
2236149.cif |
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Users of the data should acknowledge the original authors of the
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