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Information card for entry 7125500
Preview
| Coordinates | 7125500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H53 B Co N8 O |
|---|---|
| Calculated formula | C32 H53 B Co N8 O |
| Title of publication | Formation and reactivity of a cobalt (II) hydroperoxide intermediate. |
| Authors of publication | Thyagarajan, S.; Incarvito, C. D.; Rheingold, A. L.; Theopold, K. H. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2001 |
| Journal issue | 21 |
| Pages of publication | 2198 - 2199 |
| a | 19.9942 ± 0.0002 Å |
| b | 9.8211 ± 0.0002 Å |
| c | 18.7466 ± 0.0002 Å |
| α | 90° |
| β | 109.131 ± 0.009° |
| γ | 90° |
| Cell volume | 3477.9 ± 0.2 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0916 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.163 |
| Weighted residual factors for all reflections included in the refinement | 0.1769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.698 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243967 (current) | 2019-11-28 | cif/ Adding structures of 7125500 via cif-deposit CGI script. |
7125500.cif |
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Users of the data should acknowledge the original authors of the
structural data.