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Information card for entry 2012532
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| Coordinates | 2012532.cif |
|---|---|
| Structure factors | 2012532.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,6-Bis(isopropylthiomethyl)phenyl-κ^3^S,C^1^,S]bromopalladium(II) |
|---|---|
| Formula | C14 H21 Br Pd S2 |
| Calculated formula | C14 H21 Br Pd S2 |
| SMILES | [Pd]12(Br)[S](Cc3c2c(C[S]1C(C)C)ccc3)C(C)C |
| Title of publication | [2,6-Bis(isopropylthiomethyl)phenyl-κ^3^<i>S</i>,<i>C</i>^1^,<i>S</i>']bromopalladium(II) |
| Authors of publication | Bacsa, John; Moutloali, Richard M.; Darkwa, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 2 |
| Pages of publication | m109 - m110 |
| a | 8.5591 ± 0.0002 Å |
| b | 10.6777 ± 0.0002 Å |
| c | 17.6816 ± 0.0004 Å |
| α | 90° |
| β | 103.042 ± 0.001° |
| γ | 90° |
| Cell volume | 1574.26 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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