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Information card for entry 2240305
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| Coordinates | 2240305.cif |
|---|---|
| Structure factors | 2240305.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dioxidobis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')[1-phenyl-3-(pyridin-4-yl)propane-κ<i>N</i>]uranium(VI) |
|---|---|
| Formula | C24 H29 N O6 U |
| Calculated formula | C24 H29 N O6 U |
| SMILES | [U]12(=O)(=O)(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)[n]1ccc(cc1)CCCc1ccccc1 |
| Title of publication | Crystal structure of dioxidobis(pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')[1-phenyl-3-(pyridin-4-yl)propane-κ<i>N</i>]uranium(VI) |
| Authors of publication | Kawasaki, Takeshi; Kitazawa, Takafumi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 42 - 44 |
| a | 8.21 ± 0.0016 Å |
| b | 11.53 ± 0.002 Å |
| c | 14.516 ± 0.003 Å |
| α | 108.67 ± 0.03° |
| β | 98.5 ± 0.03° |
| γ | 100.81 ± 0.03° |
| Cell volume | 1246.4 ± 0.5 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0539 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240305.cif 2240305.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240305.cif 2240305.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240305.cif 2240305.hkl |
| 128737 | 2014-12-14 | cif/ hkl/ Adding structures of 2240305 via cif-deposit CGI script. |
2240305.cif 2240305.hkl |
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Users of the data should acknowledge the original authors of the
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