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Information card for entry 4308881
Preview
| Coordinates | 4308881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39 I U |
|---|---|
| Calculated formula | C27 H39 I U |
| SMILES | [U]123456789%10%11%12(I)([c]%13([cH]1[c]2([c]3([c]4%13C)C)C)C)([c]1([cH]5[c]6([c]7([c]81C)C)C)C)[c]1([cH]9[c]%10([c]%11([c]1%12C)C)C)C |
| Title of publication | Facile Syntheses of Unsolvated UI3 and Tetramethylcyclopentadienyl Uranium Halides |
| Authors of publication | William J. Evans; Stosh A. Kozimor; Joseph W. Ziller; Anatolii A. Fagin; Mikhail N. Bochkarev |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3993 - 4000 |
| a | 21.4984 ± 0.001 Å |
| b | 21.4984 ± 0.001 Å |
| c | 21.4984 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9936.2 ± 0.8 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 220 |
| Hermann-Mauguin space group symbol | I -4 3 d |
| Hall space group symbol | I -4bd 2c 3 |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.0184 |
| Weighted residual factors for significantly intense reflections | 0.0438 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.