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Information card for entry 4085103
Preview
| Coordinates | 4085103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H60 B2 Cl4 F8 N O2 Os P3 |
|---|---|
| Calculated formula | C68 H60 B2 Cl4 F8 N O2 Os P3 |
| SMILES | [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([OH]C(c2ccccc2)C(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])[N]#CC.ClCCl.ClCCl.[B](F)(F)(F)[F-].[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 | 12.1 ± 0.002 Å |
| b | 13.567 ± 0.003 Å |
| c | 22.242 ± 0.004 Å |
| α | 77.41 ± 0.03° |
| β | 78.38 ± 0.03° |
| γ | 67.03 ± 0.03° |
| Cell volume | 3253.3 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1206 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.1505 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| 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. |
4085103.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. |
4085103.cif |
| 129246 | 2014-12-30 | cif/ Adding structures of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 via cif-deposit CGI script. |
4085103.cif |
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Users of the data should acknowledge the original authors of the
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