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Information card for entry 2018491
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| Coordinates | 2018491.cif |
|---|---|
| Structure factors | 2018491.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II) |
|---|---|
| Formula | C14 H24 Cl2 Co N4 |
| Calculated formula | C14 H24 Cl2 Co N4 |
| SMILES | [Co](Cl)(Cl)([n]1cn(cc1)C(C)(C)C)[n]1cn(cc1)C(C)(C)C |
| Title of publication | Bis(1-<i>tert</i>-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)dichloridocobalt(II) |
| Authors of publication | Herdtweck, Eberhardt; Zeller, Alexander; Strassner, Thomas |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m166 - m168 |
| a | 14.1054 ± 0.0001 Å |
| b | 14.547 ± 0.0001 Å |
| c | 18.7059 ± 0.0002 Å |
| α | 90° |
| β | 106.954 ± 0.0003° |
| γ | 90° |
| Cell volume | 3671.47 ± 0.05 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018491.cif 2018491.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018491.cif 2018491.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018491.cif 2018491.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018491.cif 2018491.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018491.cif 2018491.hkl |
| 61592 | 2012-07-05 | cif/ Adding structures of 2018491 via cif-deposit CGI script. |
2018491.cif |
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Users of the data should acknowledge the original authors of the
structural data.