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Information card for entry 1569092
Preview
| Coordinates | 1569092.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H44 Cl2 N14 O10 Os2 S2 |
|---|---|
| Calculated formula | C60 H44 Cl2 N14 O10 Os2 S2 |
| SMILES | c12[n]3c(c4c(O[Os]563([n]3ccccc3N=[N]5c3ccccc3)[n]3ccccc3N=[N]6c3ccccc3)cccc4)sc2[n]2c(s1)c1c(cccc1)O[Os]132([n]2ccccc2N=[N]1c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| a | 10.4463 ± 0.0005 Å |
| b | 11.9209 ± 0.0006 Å |
| c | 13.9309 ± 0.0008 Å |
| α | 69.494 ± 0.005° |
| β | 75.258 ± 0.004° |
| γ | 66.084 ± 0.005° |
| Cell volume | 1472.5 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0258 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.0492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283665 (current) | 2023-05-11 | cif/ Adding structures of 1569091, 1569092, 1569093, 1569094 via cif-deposit CGI script. |
1569092.cif |
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Users of the data should acknowledge the original authors of the
structural data.