Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085194
Preview
| Coordinates | 4085194.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H33 B10 Co O4 S2 |
|---|---|
| Calculated formula | C23 H33 B10 Co O4 S2 |
| SMILES | [BH]1234[BH]567[B]89%10%11[BH]%12%13%14[BH]%15%16%17[BH]%181([BH]12%15[BH]235[BH]68%12[BH]%13%1612)[C]479([C]%10%14%17%18SCC(=O)OCC)S[Co]123456([CH]%11=[C]1(c1ccccc1)C2C(=O)OCC)[CH]1=[CH]3C4[CH]5=[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 | 25.429 ± 0.002 Å |
| b | 11.5719 ± 0.001 Å |
| c | 21.845 ± 0.002 Å |
| α | 90° |
| β | 113.61 ± 0.001° |
| γ | 90° |
| Cell volume | 5890.1 ± 0.9 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 | 0.0802 |
| Residual factor for significantly intense reflections | 0.0598 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
4085194.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. |
4085194.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. |
4085194.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.