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Information card for entry 4083186
Preview
| Coordinates | 4083186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [RuCymQSMe] |
|---|---|
| Formula | C31 H41 N O Ru S |
| Calculated formula | C31 H41 N O Ru S |
| SMILES | [Ru]123456(Oc7c(N1c1c(SC)cccc1)cc(C(C)(C)C)cc7C(C)(C)C)[cH]1[cH]4[c]6([cH]3[cH]2[c]51C(C)C)C |
| Title of publication | Structure and Spectroelectrochemical Response of Arene–Ruthenium and Arene–Osmium Complexes with Potentially Hemilabile Noninnocent Ligands |
| Authors of publication | Bubrin, Martina; Schweinfurth, David; Ehret, Fabian; Záliš, Stanislav; Kvapilová, Hana; Fiedler, Jan; Zeng, Qiang; Hartl, František; Kaim, Wolfgang |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 18 |
| Pages of publication | 4973 |
| a | 29.698 ± 0.002 Å |
| b | 10.6522 ± 0.0009 Å |
| c | 22.2988 ± 0.0019 Å |
| α | 90° |
| β | 125.683 ± 0.002° |
| γ | 90° |
| Cell volume | 5729.8 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1134 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083186.cif |
| 178720 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31. |
4083186.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4083186.cif |
| 113283 | 2014-05-10 | cif/ Adding structures of 4083186, 4083187, 4083188, 4083189, 4083190, 4083191, 4083192, 4083193, 4083194 via cif-deposit CGI script. |
4083186.cif |
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Users of the data should acknowledge the original authors of the
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