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Information card for entry 7044397
Preview
| Coordinates | 7044397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Ni(H2dedpam)](PF6)2?H2O |
|---|---|
| Formula | C16 H22 F12 N6 Ni O3 P2 |
| Calculated formula | C16 H20 F12 N6 Ni O3 P2 |
| Title of publication | Toward Inert Paramagnetic Ni(II)-Based Chemical Exchange Saturation Transfer MRI Agents |
| Authors of publication | Caneda-Martínez, Laura; Laura, Valencia; Fernandez-Perez, Isabel; Regueiro-Figueroa, Martín; Angelovski, Goran; Brandariz, Isabel; Esteban-Gómez, David; Platas-Iglesias, Carlos |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 9.2296 ± 0.0008 Å |
| b | 16.2475 ± 0.0015 Å |
| c | 16.8968 ± 0.0015 Å |
| α | 90° |
| β | 91.1 ± 0.005° |
| γ | 90° |
| Cell volume | 2533.3 ± 0.4 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1773 |
| Weighted residual factors for all reflections included in the refinement | 0.186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201580 (current) | 2017-10-03 | cif/ Adding structures of 7044397 via cif-deposit CGI script. |
7044397.cif |
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Users of the data should acknowledge the original authors of the
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