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Information card for entry 4085100
Preview
| Coordinates | 4085100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H48 Cl2 O2 Os P3 |
|---|---|
| Calculated formula | C59 H48 Cl2 O2 Os P3 |
| SMILES | [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(Cl)C(=CC(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O |
| Title of publication | Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes |
| Authors of publication | Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 340 |
| a | 12.1415 ± 0.0002 Å |
| b | 12.1688 ± 0.0003 Å |
| c | 18.3764 ± 0.0003 Å |
| α | 71.597 ± 0.001° |
| β | 74.27 ± 0.001° |
| γ | 75.959 ± 0.001° |
| Cell volume | 2442.81 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0753 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178740 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51. |
4085100.cif |
| 130786 | 2015-02-04 | cif/ Updating files of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 Original log message: Adding full bibliography for 4085098--4085105.cif. |
4085100.cif |
| 129246 | 2014-12-30 | cif/ Adding structures of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 via cif-deposit CGI script. |
4085100.cif |
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Users of the data should acknowledge the original authors of the
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