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Information card for entry 2230439
Preview
| Coordinates | 2230439.cif |
|---|---|
| Structure factors | 2230439.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[μ~3~-chlorido-μ~2~-chloridodichlorido(μ-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)(dimethyl sulfoxide-κ<i>O</i>)(μ-pyrimidine- κ^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium] |
|---|---|
| Formula | C8 H16 Cl4 N2 Na O2 Ru S2 |
| Calculated formula | C8 H16 Cl4 N2 Na O2 Ru S2 |
| SMILES | [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1cccnc1.S(=O)(C)C.[Na+] |
| Title of publication | Poly[μ~3~-chlorido-μ~2~-chloridodichlorido(μ-dimethyl sulfoxide-κ^2^<i>O</i>:<i>S</i>)(dimethyl sulfoxide-κ<i>O</i>)(μ-pyrimidine-κ^2^<i>N</i>:<i>N</i>')ruthenium(III)sodium] |
| Authors of publication | Ferrara, Skylar; Kreider-Mueller, Ava; Tanski, Joseph M.; Anderson, Craig M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m756 - m757 |
| a | 12.5052 ± 0.0006 Å |
| b | 10.9917 ± 0.0005 Å |
| c | 13.1837 ± 0.0006 Å |
| α | 90° |
| β | 91.68 ± 0.001° |
| γ | 90° |
| Cell volume | 1811.37 ± 0.15 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0193 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (current) | 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 2/23/04. |
2230439.cif 2230439.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. |
2230439.cif 2230439.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230439.cif 2230439.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. | 2230439.cif 2230439.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230439.cif 2230439.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230439.cif 2230439.hkl |
| 22425 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230439 via cif-deposit CGI script. |
2230439.cif |
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Users of the data should acknowledge the original authors of the
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