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Information card for entry 1557254
Preview
| Coordinates | 1557254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H99 Br3 Nd O3 P3 |
|---|---|
| Calculated formula | C54 H99 Br3 Nd O3 P3 |
| SMILES | [Nd](Br)(Br)(Br)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)[O]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes |
| Authors of publication | Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2770 - 2782 |
| a | 28.7058 ± 0.001 Å |
| b | 11.4228 ± 0.0004 Å |
| c | 18.1359 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5946.8 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257288 (current) | 2020-10-06 | cif/ Updating files of 1557253, 1557254, 1557255, 1557256, 1557257 Original log message: Adding full bibliography for 1557253--1557257.cif. |
1557254.cif |
| 250212 | 2020-04-05 | cif/ Updating files of 1557253, 1557254, 1557255, 1557256, 1557257 Original log message: Adding full bibliography for 1557253--1557257.cif. |
1557254.cif |
| 247904 | 2020-02-06 | cif/ Adding structures of 1557253, 1557254, 1557255, 1557256, 1557257 via cif-deposit CGI script. |
1557254.cif |
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Users of the data should acknowledge the original authors of the
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