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Information card for entry 4085098
Preview
| Coordinates | 4085098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H59 B Cl4 F4 N2 O5.5 Os P3 |
|---|---|
| Calculated formula | C66 H59 B Cl4 F4 N2 O5.5 Os P3 |
| 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 | 17.201 ± 0.003 Å |
| b | 22.916 ± 0.005 Å |
| c | 17.849 ± 0.004 Å |
| α | 90° |
| β | 109.74 ± 0.03° |
| γ | 90° |
| Cell volume | 6622 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0646 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.2127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085098.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4085098.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. |
4085098.cif |
| 129246 | 2014-12-30 | cif/ Adding structures of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 via cif-deposit CGI script. |
4085098.cif |
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Users of the data should acknowledge the original authors of the
structural data.