Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085101
Preview
| Coordinates | 4085101.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H57 B Cl3 F4 O2 Os P3 |
|---|---|
| Calculated formula | C64 H57 B Cl3 F4 O2 Os P3 |
| SMILES | [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)([O]=C(C=C1)OC)=C=C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)/C=C/C.ClCCl.[B](F)(F)(F)[F-] |
| 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 | 12.388 ± 0.003 Å |
| b | 12.869 ± 0.003 Å |
| c | 18.608 ± 0.004 Å |
| α | 100.36 ± 0.03° |
| β | 95.06 ± 0.03° |
| γ | 95.18 ± 0.03° |
| Cell volume | 2889.7 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0448 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| 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. |
4085101.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. |
4085101.cif |
| 129246 | 2014-12-30 | cif/ Adding structures of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 via cif-deposit CGI script. |
4085101.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.