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Information card for entry 2200861
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| Coordinates | 2200861.cif |
|---|---|
| Structure factors | 2200861.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octacarbonyl-μ-N,N-diethyldithiocarbamato-μ-dicyclohexylphosphido- dirhenium |
|---|---|
| Formula | C25 H32 N O8 P Re2 S2 |
| Calculated formula | C25 H32 N O8 P Re2 S2 |
| SMILES | [Re]1(SC(=[S][Re]([P]1(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])C#[O])N(CC)CC)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Octacarbonyl-μ-dicyclohexylphosphido-μ-<i>N,N</i>-diethyldithiocarbamato-dirhenium |
| Authors of publication | Egold, Hans; Flörke, Ulrich; Klose, Stefanie |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 3 |
| Pages of publication | m116 - m117 |
| a | 9.218 ± 0.002 Å |
| b | 11.891 ± 0.002 Å |
| c | 14.624 ± 0.002 Å |
| α | 96.4 ± 0.01° |
| β | 99.89 ± 0.02° |
| γ | 102.06 ± 0.02° |
| Cell volume | 1526.1 ± 0.5 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0784 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.