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Information card for entry 4304769
Preview
| Coordinates | 4304769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [{ReOCl(Et2tcbPhCOO)}2] |
|---|---|
| Chemical name | Bis(2-{E-[Z-(diethylamino)sulfido-kS-methylenamino][phenyl]- methylenamino-kN}-μ-benzoat-kO:kO')bis(chloridooxidorhenium(V) |
| Formula | C38 H38 Cl2 N6 O6 Re2 S2 |
| Calculated formula | C38 H38 Cl2 N6 O6 Re2 S2 |
| SMILES | C1(=NC(=[N]2[Re]3(Cl)(S1)(=O)[O]=C(c1c2cccc1)O[Re]12(Cl)([N](=C(N=C(N(CC)CC)S1)c1ccccc1)c1ccccc1C(=[O]2)O3)=O)c1ccccc1)N(CC)CC |
| Title of publication | Rhenium and Technetium Complexes with Tridentate N-[(N",N"-Dialkylamino)(thiocarbonyl)]-N'-substituted Benzamidine Ligands |
| Authors of publication | Nguyen Hung Huy; Jacqueline Grewe; Jennifer Schroer; Bernd Kuhn; Ulrich Abram |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5136 - 5144 |
| a | 8.8646 ± 0.001 Å |
| b | 13.7044 ± 0.001 Å |
| c | 16.2299 ± 0.001 Å |
| α | 90° |
| β | 90.915 ± 0.01° |
| γ | 90° |
| Cell volume | 1971.4 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1245 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179085 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/47. |
4304769.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304769.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304769.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304769.cif |
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