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Information card for entry 7005946
Preview
| Coordinates | 7005946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-ruthenium(II)-(mu-oxalate)- fac-tris(dimethylsulfoxide,S)-(dimethylsulfoxide,O)-ruthenium(II) bis(triflate) bis(nitromethane) solvate |
|---|---|
| Formula | C22 H48 F6 N2 O19 Ru2 S10 |
| Calculated formula | C22 H48 F6 N2 O19 Ru2 S10 |
| SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)([S](=O)(C)C)[O]=C1C(=[O]3)O[Ru](O1)([S](=O)(C)C)([S](=O)(C)C)([S](=O)(C)C)[O]=S(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N(=O)(=O)C.N(=O)(=O)C |
| Title of publication | Half-sandwich RuII-[9]aneS3 complexes with dicarboxylate ligands: synthesis, characterization and chemical behavior. |
| Authors of publication | Bratsos, Ioannis; Birarda, Giovanni; Jedner, Stephanie; Zangrando, Ennio; Alessio, Enzo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 36 |
| Pages of publication | 4048 - 4058 |
| a | 15.284 ± 0.003 Å |
| b | 16.305 ± 0.003 Å |
| c | 19.628 ± 0.004 Å |
| α | 90° |
| β | 91.22 ± 0.02° |
| γ | 90° |
| Cell volume | 4890.3 ± 1.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0767 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1954 |
| Weighted residual factors for all reflections included in the refinement | 0.2053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179763 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/59. |
7005946.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005946.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005946.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005946.cif |
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