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Information card for entry 4088402
Preview
| Coordinates | 4088402.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H26 Cl2 N8 Ni O8 S2 |
|---|---|
| Calculated formula | C35 H26 Cl2 N6 Ni O8 S2 |
| Title of publication | A Transmetalation Reaction Enables the Synthesis of [<sup>18</sup>F]5-Fluorouracil from [<sup>18</sup>F]Fluoride for Human PET Imaging. |
| Authors of publication | Hoover, Andrew J.; Lazari, Mark; Ren, Hong; Narayanam, Maruthi Kumar; Murphy, Jennifer M.; van Dam, R. Michael; Hooker, Jacob M.; Ritter, Tobias |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 7 |
| Pages of publication | 1008 - 1014 |
| a | 9.134 ± 0.002 Å |
| b | 9.293 ± 0.002 Å |
| c | 12.052 ± 0.003 Å |
| α | 103.787 ± 0.005° |
| β | 98.329 ± 0.005° |
| γ | 112.385 ± 0.005° |
| Cell volume | 886.5 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.061 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237546 (current) | 2019-11-24 | cif/ Adding structures of 4088402 via cif-deposit CGI script. |
4088402.cif |
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Users of the data should acknowledge the original authors of the
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