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Information card for entry 4064789
Preview
| Coordinates | 4064789.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H20 Cl2 Co N4 O |
|---|---|
| Calculated formula | C20 H20 Cl2 Co N4 O |
| SMILES | [Co]1([n]2c3c(ccc2C)cccc3c2[nH]c3c([n]12)cccc3)(Cl)Cl.O=CN(C)C |
| Title of publication | Dichlorocobalt(II) Complexes Ligated by Bidentate 8-(Benzoimidazol-2-yl)quinolines: Synthesis, Characterization, and Catalytic Behavior toward Ethylene |
| Authors of publication | Xiao, Tianpengfei; Hao, Peng; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 18 |
| Pages of publication | 4847 |
| a | 7.7167 ± 0.0015 Å |
| b | 21.352 ± 0.004 Å |
| c | 12.813 ± 0.003 Å |
| α | 90° |
| β | 102.93 ± 0.03° |
| γ | 90° |
| Cell volume | 2057.6 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1275 |
| Residual factor for significantly intense reflections | 0.0808 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.1825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178541 (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 4/06/47. |
4064789.cif |
| 114152 | 2014-05-22 | cif/ Updating files of 4064789, 4064790, 4064791, 4064792 Original log message: Adding full bibliography for 4064789--4064792.cif. |
4064789.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064789.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064789.cif |
| 33046 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064789, 4064790, 4064791, 4064792 via cif-deposit CGI script. |
4064789.cif |
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