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Information card for entry 1569091
Preview
| Coordinates | 1569091.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H43 Cl2 N11 O10 Ru2 S2 |
|---|---|
| Calculated formula | C58 H43 Cl2 N11 O10 Ru2 S2 |
| SMILES | [Ru]123(Oc4c(c5sc6[n]7[Ru]89(Oc%10c(c7sc6[n]15)cccc%10)([n]1c(c5[n]8cccc5)cccc1)[n]1c(c5[n]9cccc5)cccc1)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC |
| a | 12.6483 ± 0.0002 Å |
| b | 14.5341 ± 0.0002 Å |
| c | 16.9022 ± 0.0002 Å |
| α | 91.878 ± 0.001° |
| β | 97.028 ± 0.001° |
| γ | 108.575 ± 0.001° |
| Cell volume | 2914.66 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.02 K |
| Ambient diffraction temperature | 150 ± 0.02 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
1569091.cif |
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Users of the data should acknowledge the original authors of the
structural data.