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Information card for entry 4309979
Preview
| Coordinates | 4309979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | S4PdCl2 |
|---|---|
| Formula | C74 H134 Cl6 Pd S4 Si12 |
| Calculated formula | C74 H134 Cl6 Pd S4 Si12 |
| SMILES | c1(cc(C([Si](C)(C)C)[Si](C)(C)C)cc(c1Sc1c(cccc1)[S]1[Pd](Cl)([S](c2c1cccc2)c1ccccc1Sc1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)Cl)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and Structure of a Distorted Octahedral Palladium(II) Complex Coordinated with a Tetrathioether Ligand Tethered with Bulky Substituents |
| Authors of publication | Nobuhiro Takeda; Daisuke Shimizu; Norihiro Tokitoh |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 8561 - 8568 |
| a | 41.273 ± 0.003 Å |
| b | 12.8906 ± 0.0006 Å |
| c | 19.3198 ± 0.0011 Å |
| α | 90° |
| β | 105.752 ± 0.002° |
| γ | 90° |
| Cell volume | 9892.8 ± 1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1393 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179137 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/99. |
4309979.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309979.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309979.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309979.cif |
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