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Information card for entry 4064791
Preview
| Coordinates | 4064791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 Cl2 Co N3 |
|---|---|
| Calculated formula | C18 H15 Cl2 Co N3 |
| SMILES | [Co]1([n]2c(CC)ccc3c2c(c2[n]1c1ccccc1[nH]2)ccc3)(Cl)Cl |
| 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 | 10.123 ± 0.002 Å |
| b | 13.542 ± 0.003 Å |
| c | 12.829 ± 0.003 Å |
| α | 90° |
| β | 109.13 ± 0.03° |
| γ | 90° |
| Cell volume | 1661.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4064791.cif |
| 178541 | 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. |
4064791.cif |
| 114152 | 2014-05-22 | cif/ Updating files of 4064789, 4064790, 4064791, 4064792 Original log message: Adding full bibliography for 4064789--4064792.cif. |
4064791.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064791.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064791.cif |
| 33046 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064789, 4064790, 4064791, 4064792 via cif-deposit CGI script. |
4064791.cif |
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