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Information card for entry 4325017
Preview
| Coordinates | 4325017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H21 B10 Co O2 S2 |
|---|---|
| Calculated formula | C11 H21 B10 Co O2 S2 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%15%16[BH]%171([BH]125[BH]268[BH]9%11%14[BH]%15%1712)[C]13%12%16[C]47%10%13S[Co]23456(C(C(=O)OCC)[S]16)[cH]1[cH]2[cH]3[cH]4[cH]51 |
| Title of publication | Cobalt-Mediated Selective B-H Activation and Formation of a Co-B Bond in the Reaction of the 16-Electron CpCo Half-Sandwich Complex Containing an o-Carborane-1,2-dithiolate Ligand with Ethyl Diazoacetate |
| Authors of publication | Guifeng Liu; Jiurong Hu; Jialin Wen; Huimin Dai; Yizhi Li; Hong Yan |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 4187 - 4194 |
| a | 13.098 ± 0.003 Å |
| b | 16.643 ± 0.004 Å |
| c | 18.05 ± 0.004 Å |
| α | 90° |
| β | 96.439 ± 0.003° |
| γ | 90° |
| Cell volume | 3909.9 ± 1.6 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179353 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50. |
4325017.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325017.cif |
| 43468 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4325017 via cif-deposit CGI script. |
4325017.cif |
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Users of the data should acknowledge the original authors of the
structural data.