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Information card for entry 4065068
Preview
| Coordinates | 4065068.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H25 B10 Co Fe S2 |
|---|---|
| Calculated formula | C19 H25 B10 Co Fe S2 |
| SMILES | [Co]1234567(S[C]89%10%11[BH]%12%13%14[BH]%15%168[BH]8%179[BH]9%18%10[BH]%10%19%20[BH]%21%12([BH]%12%13%15[BH]%13%168[BH]%179%10[BH]%19%21%12%13)[C]%11%14%18%20C2C3(S1)[c]12[cH]3[cH]8[cH]9[Fe]%10%11%12%13138([cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]4[cH]5[cH]6[cH]71 |
| Title of publication | Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene |
| Authors of publication | Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 19 |
| Pages of publication | 5188 |
| a | 39.227 ± 0.003 Å |
| b | 6.4461 ± 0.0006 Å |
| c | 20.789 ± 0.0018 Å |
| α | 90° |
| β | 115.16 ± 0.001° |
| γ | 90° |
| Cell volume | 4758 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1224 |
| Weighted residual factors for all reflections included in the refinement | 0.1278 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/50. |
4065068.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065068.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065068.cif |
| 33150 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065066, 4065067, 4065068, 4065069, 4065070 via cif-deposit CGI script. |
4065068.cif |
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Users of the data should acknowledge the original authors of the
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