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Information card for entry 4518069
Preview
| Coordinates | 4518069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H66 N4 Nd O3 |
|---|---|
| Calculated formula | C45 H66 N4 Nd O3 |
| Title of publication | Understanding Molecular Factors That Determine Performance in the Rare Earth (TriNOx) Separations System |
| Authors of publication | Cole, Bren E.; Cheisson, Thibault; Nelson, Joshua J. M.; Higgins, Robert F.; Gau, Michael R.; Carroll, Patrick J.; Schelter, Eric J. |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2020 |
| a | 37.0064 ± 0.0018 Å |
| b | 16.7595 ± 0.0008 Å |
| c | 7.0881 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4396.1 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.1562 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.199 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256625 (current) | 2020-09-23 | cif/ Adding structures of 4518067, 4518068, 4518069, 4518070, 4518071, 4518072, 4518073, 4518074, 4518075, 4518076, 4518077 via cif-deposit CGI script. |
4518069.cif |
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Users of the data should acknowledge the original authors of the
structural data.