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Information card for entry 2011431
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| Coordinates | 2011431.cif |
|---|---|
| Structure factors | 2011431.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-Dichloro(1,10-bis(mercaptobenzylyl)-4,7-dioxadecane)palladium(II) |
|---|---|
| Formula | C20 H26 Cl2 O2 Pd S2 |
| Calculated formula | C20 H26 Cl2 O2 Pd S2 |
| SMILES | [Pd]1(Cl)(Cl)[S](Cc2ccccc2)CCOCCOCC[S]1Cc1ccccc1 |
| Title of publication | <i>trans</i>-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-<i>S</i>,<i>S</i>')palladium(II) |
| Authors of publication | Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1191 - 1192 |
| a | 22.155 ± 0.002 Å |
| b | 7.744 ± 0.0008 Å |
| c | 13.6293 ± 0.0015 Å |
| α | 90° |
| β | 102.906 ± 0.002° |
| γ | 90° |
| Cell volume | 2279.3 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.0681 |
| Weighted residual factors for all reflections included in the refinement | 0.1996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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