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Information card for entry 4065069
Preview
| Coordinates | 4065069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 B10 Cl2 Co Fe2 S2 |
|---|---|
| Calculated formula | C37 H47 B10 Cl2 Co Fe2 S2 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%11[BH]%111([BH]125[BH]69%14[BH]%158%111)[C]14%13%16[C]37%10%12S[Co]23456(C(=CC=C([c]78[cH]9[cH]%10[cH]%11[cH]7[Fe]7%12%13%1489%10%11[cH]8[cH]7[cH]%12[cH]%13[cH]%148)[S]16)[c]16[cH]7[cH]8[cH]9[cH]1[Fe]1%10%11%126789[cH]6[cH]1[cH]%10[cH]%11[CH]%126)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.C(Cl)Cl |
| 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 | 11.4377 ± 0.0013 Å |
| b | 20.149 ± 0.002 Å |
| c | 17.84 ± 0.002 Å |
| α | 90° |
| β | 93.293 ± 0.002° |
| γ | 90° |
| Cell volume | 4104.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0616 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| 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. |
4065069.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065069.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065069.cif |
| 33150 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065066, 4065067, 4065068, 4065069, 4065070 via cif-deposit CGI script. |
4065069.cif |
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Users of the data should acknowledge the original authors of the
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