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Information card for entry 1569094
Preview
| Coordinates | 1569094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H46 F12 N10 O3 Os2 P2 S2 |
|---|---|
| Calculated formula | C59 H46 F12 N10 O3 Os2 P2 S2 |
| SMILES | [Os]123([n]4ccccc4c4[n]3cccc4)(Oc3ccccc3c3sc4[n]5[Os]67(Oc8ccccc8c5sc4[n]13)([n]1c(c3[n]6cccc3)cccc1)[n]1ccccc1c1[n]7cccc1)[n]1ccccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| a | 13.5131 ± 0.0002 Å |
| b | 16.652 ± 0.0003 Å |
| c | 18.5981 ± 0.0003 Å |
| α | 115.641 ± 0.002° |
| β | 92.209 ± 0.002° |
| γ | 110.913 ± 0.002° |
| Cell volume | 3430.48 ± 0.14 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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. |
1569094.cif |
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Users of the data should acknowledge the original authors of the
structural data.