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Information card for entry 4129227
Preview
| Coordinates | 4129227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H68 B2 Cu2 F40 N10 O3 |
|---|---|
| Calculated formula | C89 H60 B2 Cu2 F40 N10 O3 |
| Title of publication | Substrate oxidation by copper-dioxygen adducts: mechanistic considerations. |
| Authors of publication | Shearer, Jason; Zhang, Christiana Xin; Zakharov, Lev N.; Rheingold, Arnold L.; Karlin, Kenneth D. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Journal issue | 15 |
| Pages of publication | 5469 - 5483 |
| a | 11.2987 ± 0.0004 Å |
| b | 14.7901 ± 0.0005 Å |
| c | 15.8237 ± 0.0006 Å |
| α | 108.725 ± 0.002° |
| β | 104.597 ± 0.002° |
| γ | 105.35 ± 0.002° |
| Cell volume | 2244.56 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0925 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1712 |
| Weighted residual factors for all reflections included in the refinement | 0.201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240009 (current) | 2019-11-25 | cif/ Adding structures of 4129227 via cif-deposit CGI script. |
4129227.cif |
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