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Information card for entry 4125835
Preview
| Coordinates | 4125835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H37 Cl4 Cu F6 N2 S2 |
|---|---|
| Calculated formula | C46 H37 Cl4 Cu F6.003 N2 S2 |
| Title of publication | Copper(II) Activation of Nitrite: Nitrosation of Nucleophiles and Generation of NO by Thiols. |
| Authors of publication | Kundu, Subrata; Kim, William Y.; Bertke, Jeffery A.; Warren, Timothy H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 3 |
| Pages of publication | 1045 - 1048 |
| a | 30.9319 ± 0.0018 Å |
| b | 18.2206 ± 0.001 Å |
| c | 19.219 ± 0.0011 Å |
| α | 90° |
| β | 127.608 ± 0.001° |
| γ | 90° |
| Cell volume | 8581 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0833 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.116 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193189 (current) | 2017-03-04 | cif/ Adding structures of 4125835 via cif-deposit CGI script. |
4125835.cif |
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