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Information card for entry 1565105
Preview
| Coordinates | 1565105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H86 Cr3 N8 O Si3 |
|---|---|
| Calculated formula | C58 H86 Cr3 N8 O Si3 |
| Title of publication | Revealing Redox Isomerism in Trichromium Imides by Anomalous Diffraction |
| Authors of publication | Bartholomew, Amymarie K.; Chen, Yu-Sheng; Grass Wang, Suyin; Bu, Wei; Dong, Yuyang; Juda, Cristin E.; Betley, Theodore; Anderton, Kevin J.; Musgrave, Rebecca A. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 12.4743 ± 0.0005 Å |
| b | 14.4695 ± 0.0007 Å |
| c | 17.6459 ± 0.0008 Å |
| α | 104.191 ± 0.001° |
| β | 90.552 ± 0.001° |
| γ | 105.924 ± 0.001° |
| Cell volume | 2959.2 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270273 (current) | 2021-11-04 | cif/ Adding structures of 1565104, 1565105 via cif-deposit CGI script. |
1565105.cif |
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