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Information card for entry 4073013
Preview
| Coordinates | 4073013.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H40 B20 Ru2 S6 |
|---|---|
| Calculated formula | C22 H40 B20 Ru2 S6 |
| SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]13%125[C]47%10%13[S]2[Ru]345([S]1C(=C[S]3[C]1367[BH]89%10[BH]%11%121[BH]1%133[BH]3%146[BH]6%15%13[BH]%13%121[BH]19%11[BH]9%118[BH]36([BH]%15%1319)[C]7%10%14%11S4)c1ccccc1)[S]1[Ru]346782([c]2([cH]3[cH]4[c]6([cH]7[cH]82)C(C)C)C)[S]51 |
| Title of publication | A Novel Dinuclear Ruthenium(I)/Ruthenium(III) Half-Sandwich Complex Containing Two Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dithiolate Ligands and Its Reactivity with Alkynes† |
| Authors of publication | Wu, De-Hong; Ji, Cheng; Li, Yi-Zhi; Yan, Hong |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1560 |
| a | 11.722 ± 0.005 Å |
| b | 13.909 ± 0.005 Å |
| c | 13.911 ± 0.005 Å |
| α | 117.938 ± 0.004° |
| β | 98.632 ± 0.005° |
| γ | 90.543 ± 0.006° |
| Cell volume | 1972.8 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1016 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178619 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/30. |
4073013.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073013.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073013.cif |
| 46119 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073011, 4073012, 4073013 via cif-deposit CGI script. |
4073013.cif |
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