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Information card for entry 2241535
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| Coordinates | 2241535.cif |
|---|---|
| Structure factors | 2241535.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate |
|---|---|
| Formula | C20 H18 Cl5 Cr N4 O Zn |
| Calculated formula | C20 H18 Cl5 Cr N4 O Zn |
| SMILES | [Cr]12(Cl)([OH2])([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[Zn](Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Crystal structure of <i>cis</i>-aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate determined from synchrotron data |
| Authors of publication | Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 280 - 282 |
| a | 9.611 ± 0.0019 Å |
| b | 14.837 ± 0.003 Å |
| c | 17.283 ± 0.004 Å |
| α | 90° |
| β | 94.93 ± 0.03° |
| γ | 90° |
| Cell volume | 2455.4 ± 0.9 Å3 |
| Cell temperature | 243 ± 2 K |
| Ambient diffraction temperature | 243 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0281 |
| Residual factor for significantly intense reflections | 0.0267 |
| Weighted residual factors for significantly intense reflections | 0.0732 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.6 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181916 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/15. |
2241535.cif 2241535.hkl |
| 175690 | 2016-02-04 | cif/ hkl/ Adding structures of 2241535 via cif-deposit CGI script. |
2241535.cif 2241535.hkl |
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Users of the data should acknowledge the original authors of the
structural data.