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Information card for entry 2010650
Preview
| Coordinates | 2010650.cif |
|---|---|
| Structure factors | 2010650.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexacarbonyl-bis(dicyclohexylphosphane)-bis(μ-naphthyl- sulfido)-dirhenium |
|---|---|
| Formula | C50 H60 O6 P2 Re2 S2 |
| Calculated formula | C50 H60 O6 P2 Re2 S2 |
| SMILES | C(#[O])[Re]1(C#[O])([PH](C2CCCCC2)C2CCCCC2)([S](c2cc3ccccc3cc2)[Re](C#[O])(C#[O])(C#[O])([PH](C2CCCCC2)C2CCCCC2)[S]1c1cc2ccccc2cc1)C#[O] |
| Title of publication | Sulfido-bridged rhenium‒carbonyl complexes with planar and folded Re~2~S~2~ cores |
| Authors of publication | Flörke, Ulrich; Egold, Hans; Schwarze, Detlev |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 184 - 186 |
| a | 24.561 ± 0.003 Å |
| b | 9.378 ± 0.003 Å |
| c | 23.722 ± 0.003 Å |
| α | 90° |
| β | 112.63 ± 0.01° |
| γ | 90° |
| Cell volume | 5043.3 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1351 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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
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