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Information card for entry 2241075
Preview
| Coordinates | 2241075.cif |
|---|---|
| Structure factors | 2241075.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]\ bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate |
|---|---|
| Formula | C38 H48 Cl8 O2 Ru2 S2 |
| Calculated formula | C38 H48 Cl8 O2 Ru2 S2 |
| SMILES | C(c1ccc(cc1)OC)[S]1[Ru]23456([S](Cc7ccc(cc7)OC)[Ru]789%10%111([c]1([cH]7[cH]8[c]9([cH]%10[cH]%111)C)C(C)C)Cl)([c]1([cH]2[cH]3[c]4(C)[cH]5[cH]61)C(C)C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Crystal structure of bis[μ-(4-methoxyphenyl)methanethiolato-κ^2^<i>S</i>:<i>S</i>]bis[chlorido(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II)] chloroform disolvate |
| Authors of publication | Stíbal, David; Süss-Fink, Georg; Therrien, Bruno |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | 1216 - 1218 |
| a | 10.034 ± 0.002 Å |
| b | 10.07 ± 0.002 Å |
| c | 12.124 ± 0.002 Å |
| α | 112.75 ± 0.03° |
| β | 95.58 ± 0.03° |
| γ | 98.51 ± 0.03° |
| Cell volume | 1101.2 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.053 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241075.cif 2241075.hkl |
| 158329 | 2015-09-26 | cif/ hkl/ Adding structures of 2241075 via cif-deposit CGI script. |
2241075.cif 2241075.hkl |
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