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Information card for entry 4085192
Preview
| Coordinates | 4085192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H31 B10 Co O6 S2 |
|---|---|
| Calculated formula | C19 H31 B10 Co O6 S2 |
| SMILES | [Co]123456([S]([C]789%10[C]%11%12%13(SCC(=O)OCC)[BH]%14%157[BH]7%16%17[BH]%18%10%14[BH]%10%149[B]98%11(C=C2C(=O)OC)[BH]28%10[BH]%107([BH]%12%15%16[BH]%1398%10)[BH]%17%18%142)C1C(=O)OCC)[cH]1[cH]4[cH]5[cH]3[cH]61 |
| 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 | 10.889 ± 0.004 Å |
| b | 11.574 ± 0.004 Å |
| c | 12.328 ± 0.004 Å |
| α | 67.217 ± 0.004° |
| β | 89.341 ± 0.004° |
| γ | 77.439 ± 0.004° |
| Cell volume | 1393.6 ± 0.8 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0989 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
| 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. |
4085192.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. |
4085192.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. |
4085192.cif |
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Users of the data should acknowledge the original authors of the
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