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Information card for entry 4073568
Preview
| Coordinates | 4073568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32.5 H16 Cl N O12 Ru5 S2 |
|---|---|
| Calculated formula | C32.5 H15 Cl N O12 Ru5 S2 |
| 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 | 18.2731 ± 0.0002 Å |
| b | 11.7362 ± 0.0002 Å |
| c | 17.7859 ± 0.0003 Å |
| α | 90° |
| β | 108.452 ± 0.001° |
| γ | 90° |
| Cell volume | 3618.21 ± 0.1 Å3 |
| Cell temperature | 89 ± 2 K |
| Ambient diffraction temperature | 89 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0425 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4073568.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4073568.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073568.cif |
| 46424 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073565, 4073566, 4073567, 4073568 via cif-deposit CGI script. |
4073568.cif |
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Users of the data should acknowledge the original authors of the
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