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Information card for entry 4085191
Preview
| Coordinates | 4085191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 B10 Co O4 S2 |
|---|---|
| Calculated formula | C23 H33 B10 Co O4 S2 |
| SMILES | [Co]123456([S]([C]789%10[B]%11%12%13(C=C1c1ccccc1)[BH]1%147[BH]7%158[BH]8%169[BH]9%17%18[BH]%19%11([BH]%11%121[BH]1%147[BH]%1589[BH]%17%19%111)[C]%10%13%16%18SCC(=O)OCC)C6C(=O)OCC)[cH]1[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Metal-Induced B‒H Activation in Three-Component Reactions: 16-Electron Complex CpCo(S2C2B10H10), Ethyl Diazoacetate, and Alkynes |
| Authors of publication | Liu, Guifeng; Yan, Hong |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 591 |
| a | 11.8798 ± 0.0012 Å |
| b | 12.6092 ± 0.0013 Å |
| c | 20.683 ± 0.002 Å |
| α | 81.937 ± 0.002° |
| β | 84.343 ± 0.001° |
| γ | 77.912 ± 0.002° |
| Cell volume | 2991.9 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| 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. |
4085191.cif |
| 132980 | 2015-03-04 | cif/ Updating files of 4085191, 4085192, 4085193, 4085194, 4085195, 4085196, 4085197, 4085198, 4085199, 4085200, 4085201 Original log message: Adding full bibliography for 4085191--4085201.cif. |
4085191.cif |
| 129932 | 2015-01-17 | cif/ Adding structures of 4085191, 4085192, 4085193, 4085194, 4085195, 4085196, 4085197, 4085198, 4085199, 4085200, 4085201 via cif-deposit CGI script. |
4085191.cif |
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Users of the data should acknowledge the original authors of the
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