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Information card for entry 2020309
Preview
| Coordinates | 2020309.cif |
|---|---|
| Structure factors | 2020309.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) |
|---|---|
| Formula | C24 H16 Cl2 Co N4 |
| Calculated formula | C24 H16 Cl2 Co N4 |
| SMILES | [Co]12(Cl)(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3 |
| Title of publication | Four supramolecular isomers of dichloridobis(1,10-phenanthroline)cobalt(II): synthesis, structure characterization and isomerization |
| Authors of publication | Chen, Xiaocui; Han, Shumin; Wang, Ruiyao; Li, Yuan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 1 |
| Pages of publication | 6 - 13 |
| a | 10.2035 ± 0.0011 Å |
| b | 16.6206 ± 0.0016 Å |
| c | 14.4854 ± 0.0011 Å |
| α | 90° |
| β | 122.76 ± 0.005° |
| γ | 90° |
| Cell volume | 2065.8 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.0841 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181873 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/03 |
2020309.cif 2020309.hkl |
| 176616 | 2016-02-17 | cif/ Updating files of 2020309, 2020310 Original log message: Adding full bibliography for 2020309--2020310.cif. |
2020309.cif 2020309.hkl |
| 176565 | 2016-02-17 | cif/ Updating files of 2020309, 2020310 Original log message: Adding full bibliography for 2020309--2020310.cif. |
2020309.cif 2020309.hkl |
| 170737 | 2015-12-06 | cif/ hkl/ Adding structures of 2020309, 2020310 via cif-deposit CGI script. |
2020309.cif 2020309.hkl |
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Users of the data should acknowledge the original authors of the
structural data.