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Information card for entry 2239826
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| Coordinates | 2239826.cif |
|---|---|
| Structure factors | 2239826.hkl |
| Original IUCr paper | HTML |
| Chemical name | Chloridopentakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) dichloride |
|---|---|
| Formula | C10 H30 Cl3 Cr O5 S5 |
| Calculated formula | C10 H30 Cl3 Cr O5 S5 |
| SMILES | [Cr](Cl)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Cl-].[Cl-] |
| Title of publication | Crystal structure of chloridopentakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) dichloride |
| Authors of publication | Son, Kyung-sun; Woo, Jeong Oh; Kim, Namhun; Kang, Sung Kwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | m309 |
| a | 9.5883 ± 0.0004 Å |
| b | 10.4998 ± 0.0004 Å |
| c | 13.0088 ± 0.0005 Å |
| α | 70.633 ± 0.004° |
| β | 83.867 ± 0.003° |
| γ | 89.0009 ± 0.0018° |
| Cell volume | 1228.26 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1433 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.1382 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239826.cif 2239826.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239826.cif 2239826.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239826.cif 2239826.hkl |
| 121413 | 2014-08-06 | cif/ hkl/ Adding structures of 2239826 via cif-deposit CGI script. |
2239826.cif 2239826.hkl |
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Users of the data should acknowledge the original authors of the
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