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Information card for entry 4085196
Preview
| Coordinates | 4085196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H33 B10 Co O8 S2 |
|---|---|
| Calculated formula | C21 H33 B10 Co O8 S2 |
| SMILES | [Co]1234567(S[C]89%10%11[C]%12%13%14(SCC(=O)OCC)[B]%15%168([C]1(C(=O)OC)=[C]2(C(=O)OC)C3C(=O)OCC)[BH]129[BH]38%10[BH]9%11%12[BH]%10%118[BH]823[BH]2%161[BH]1%13%15[BH]%149%10[BH]%11821)[cH]1[cH]4[cH]5[cH]6[cH]71 |
| 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 | 11.5996 ± 0.0015 Å |
| b | 10.1335 ± 0.0013 Å |
| c | 26.01 ± 0.003 Å |
| α | 90° |
| β | 98.357 ± 0.002° |
| γ | 90° |
| Cell volume | 3024.9 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4085196.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. |
4085196.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. |
4085196.cif |
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Users of the data should acknowledge the original authors of the
structural data.