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Information card for entry 4073565
Preview
| Coordinates | 4073565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H4 O11 Ru4 S |
|---|---|
| Calculated formula | C17 H4 O11 Ru4 S |
| SMILES | [Ru]123([Ru]4567([Ru]89%10([Ru]%111(S248)([C]135C=CC=C[C]69%111)(C%10=O)(C#[O])C#[O])(C7=O)(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | New Ruthenium Carbonyl Clusters Containing Unusual μ5-Sulfido-, μ4-Benzyne-, and Thianthrene-Derived Ligands: Insertion of Ruthenium into the Thianthrene Ring by C−S Activation |
| Authors of publication | Hassan, Mohammad R.; Kabir, Shariff E.; Nicholson, Brian K.; Nordlander, Ebbe; Uddin, Md. Nazim |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 18 |
| Pages of publication | 4627 |
| a | 14.4705 ± 0.0004 Å |
| b | 10.5311 ± 0.0003 Å |
| c | 28.5654 ± 0.0009 Å |
| α | 90° |
| β | 91.963 ± 0.001° |
| γ | 90° |
| Cell volume | 4350.5 ± 0.2 Å3 |
| Cell temperature | 80 ± 2 K |
| Ambient diffraction temperature | 80 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0406 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.225 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (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 4/07/35. |
4073565.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073565.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073565.cif |
| 46424 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073565, 4073566, 4073567, 4073568 via cif-deposit CGI script. |
4073565.cif |
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