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Information card for entry 1556428
Preview
| Coordinates | 1556428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H53 N2 P Th |
|---|---|
| Calculated formula | C36 H53 N2 P Th |
| SMILES | [Th]123456789([c]%10([c]3([c]9([c]2([c]1%10C)C)C)C)C)([c]1([c]4([c]6(C)[c]5([c]71C)C)C)C)([N](C(C)(C)C)=[C]8=Pc1ccccc1)C#[N]C(C)(C)C |
| Title of publication | Thorium(IV) and Uranium(IV) Phosphaazaallenes |
| Authors of publication | Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 105 |
| a | 10.0829 ± 0.001 Å |
| b | 33.981 ± 0.003 Å |
| c | 10.7807 ± 0.0011 Å |
| α | 90° |
| β | 107.839 ± 0.0017° |
| γ | 90° |
| Cell volume | 3516.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.36 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244925 (current) | 2019-12-06 | cif/ Adding structures of 1556428 via cif-deposit CGI script. |
1556428.cif |
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Users of the data should acknowledge the original authors of the
structural data.