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Information card for entry 1547174
Preview
| Coordinates | 1547174.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H17 N O13 Os3 S |
|---|---|
| Calculated formula | C25 H17 N O13 Os3 S |
| SMILES | [Os]12([Os]([n]3c4c2cccc4sc3C)(C#[O])([C@]21C(=[O][Os](C#[O])([C@H]2C(OCC)=O)(C#[O])C#[O])OCC)(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Os]12([Os]([n]3c4c2cccc4sc3C)(C#[O])([C@@]21C(=[O][Os](C#[O])([C@@H]2C(OCC)=O)(C#[O])C#[O])OCC)(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate |
| Authors of publication | Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E. |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 39 |
| Pages of publication | 13597 - 13609 |
| a | 9.8419 ± 0.0003 Å |
| b | 9.9715 ± 0.0003 Å |
| c | 17.3201 ± 0.0005 Å |
| α | 75.059 ± 0.003° |
| β | 80.399 ± 0.002° |
| γ | 63.273 ± 0.003° |
| Cell volume | 1464.29 ± 0.09 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282777 (current) | 2023-04-20 | cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M. |
1547174.cif |
| 200869 | 2017-09-14 | cif/ Adding structures of 1547171, 1547172, 1547173, 1547174 via cif-deposit CGI script. |
1547174.cif |
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Users of the data should acknowledge the original authors of the
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