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Information card for entry 1566965
Preview
| Coordinates | 1566965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H54 N5 Nb O3 |
|---|---|
| Calculated formula | C37 H54 N5 Nb O3 |
| Title of publication | Tantalum, Easy as Pi: Understanding Differences in Metal-Imido Bonding Towards Improving Ta/Nb Separations |
| Authors of publication | Weberg, Alexander B.; Schelter, Eric J.; Carroll, Patrick; Gau, Michael; Pandey, Pragati; Lapsheva, Ekaterina; Schatz, George C.; Cheisson, Thibault; Chaudhuri, Subhajyoti; Uruburo, Christian |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 10.17 ± 0.0004 Å |
| b | 12.074 ± 0.0005 Å |
| c | 15.7696 ± 0.0006 Å |
| α | 91.221 ± 0.002° |
| β | 90.452 ± 0.002° |
| γ | 114.46 ± 0.002° |
| Cell volume | 1761.9 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0777 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1563 |
| Weighted residual factors for all reflections included in the refinement | 0.1634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275380 (current) | 2022-05-13 | cif/ Adding structures of 1566965, 1566966, 1566967 via cif-deposit CGI script. |
1566965.cif |
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Users of the data should acknowledge the original authors of the
structural data.