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Information card for entry 4345508
Preview
| Coordinates | 4345508.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H8 Mn N2 O8 Re |
|---|---|
| Calculated formula | C18 H8 Mn N2 O8 Re |
| SMILES | C(#[O])[Re](C#[O])(C#[O])(C#[O])(C#[O])[Mn]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2cccc[n]12 |
| Title of publication | Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes |
| Authors of publication | Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2017 |
| a | 9.0583 ± 0.0005 Å |
| b | 13.878 ± 0.0008 Å |
| c | 45.661 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5740.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193987 (current) | 2017-03-06 | cif/ Adding structures of 4345508 via cif-deposit CGI script. |
4345508.cif |
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