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Information card for entry 2238277
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| Coordinates | 2238277.cif |
|---|---|
| Structure factors | 2238277.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) |
|---|---|
| Formula | C40 H36 O2 P2 Ru S4 |
| Calculated formula | C40 H36 O2 P2 Ru S4 |
| SMILES | [Ru]12([S]=C(S1)OC)([S]=C(S2)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | <i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) |
| Authors of publication | Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m408 - m409 |
| a | 10.7285 ± 0.0003 Å |
| b | 18.547 ± 0.0004 Å |
| c | 38.0785 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7576.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (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 2/23/82. |
2238277.cif 2238277.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. |
2238277.cif 2238277.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238277.cif 2238277.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238277.cif 2238277.hkl |
| 87538 | 2013-08-27 | cif/ Adding structures of 2238277 via cif-deposit CGI script. |
2238277.cif |
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Users of the data should acknowledge the original authors of the
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