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Information card for entry 4516673
Preview
| Coordinates | 4516673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H35 B Cl2 Cu F4 N4 O3 P |
|---|---|
| Calculated formula | C47 H35 B Cl2 Cu F4 N4 O3 P |
| Title of publication | [Copper(phenanthroline)(bisisonitrile)]±Complexes for the Visible-Light-Mediated Atom Transfer Radical Addition and Allylation Reactions |
| Authors of publication | Knorn, Matthias; Rawner, Thomas; Czerwieniec, Rafał; Reiser, Oliver |
| Journal of publication | ACS Catalysis |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 5186 |
| a | 30.0446 ± 0.0006 Å |
| b | 11.56203 ± 0.00018 Å |
| c | 24.6258 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8554.4 ± 0.3 Å3 |
| Cell temperature | 122.99 ± 0.16 K |
| Ambient diffraction temperature | 122.99 ± 0.16 K |
| Number of distinct elements | 9 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239442 (current) | 2019-11-24 | cif/ Adding structures of 4516673 via cif-deposit CGI script. |
4516673.cif |
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