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Information card for entry 7714031
Preview
| Coordinates | 7714031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H97 Cs N2 O12 |
|---|---|
| Calculated formula | C60 H97 Cs N2 O12 |
| Title of publication | Revealing unbound β-diketiminate anions: structural dynamics from caesium complexes. |
| Authors of publication | Videa, Hellen; Martínez-Martínez, Antonio J |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 37 |
| Pages of publication | 13058 - 13062 |
| a | 13.7097 ± 0.0006 Å |
| b | 15.1667 ± 0.0007 Å |
| c | 16.4016 ± 0.0008 Å |
| α | 77.66 ± 0.003° |
| β | 77.052 ± 0.002° |
| γ | 73.081 ± 0.002° |
| Cell volume | 3139.2 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286548 (current) | 2023-09-27 | cif/ Adding structures of 7714030, 7714031, 7714032, 7714033 via cif-deposit CGI script. |
7714031.cif |
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Users of the data should acknowledge the original authors of the
structural data.