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Information card for entry 4316881
Preview
| Coordinates | 4316881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H49 B N2 Ru S2 |
|---|---|
| Calculated formula | C51 H49 B N2 Ru S2 |
| SMILES | [Ru]123456(SSCc7ccccc7)([n]7ccccc7c7[n]1cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | An Alternate Route to Disulfanido Complexes by Nucleophilic Attack of Thiolates on Ruthenium-Bound Thiosulfonato Ligands |
| Authors of publication | Erwan Galardon; Patrick Deschamps; Alain Tomas; Pascal Roussel; Isabelle Artaud |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9119 - 9121 |
| a | 12.8355 ± 0.0005 Å |
| b | 15.2208 ± 0.0006 Å |
| c | 21.6503 ± 0.001 Å |
| α | 90° |
| β | 94.959 ± 0.002° |
| γ | 90° |
| Cell volume | 4213.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179248 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68. |
4316881.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316881.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316881.cif |
| 10390 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316881 via cif-deposit CGI script. |
4316881.cif |
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