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Information card for entry 4066033
Preview
| Coordinates | 4066033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H30 Cl2 Pd2 S2 |
|---|---|
| Calculated formula | C22 H30 Cl2 Pd2 S2 |
| SMILES | C1[S](C(C)(C)C)[Pd]2(c3c1cccc3)[Cl][Pd]1(c3c(cccc3)C[S]1C(C)(C)C)[Cl]2 |
| Title of publication | Synthesis and Complexation of a New Tripodal Tetradentate Ligand, a Silyl Ligand Tethered with Three Thioether Moieties |
| Authors of publication | Takeda, Nobuhiro; Watanabe, Daisuke; Nakamura, Tetsu; Unno, Masafumi |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 2839 |
| a | 8.1701 ± 0.0007 Å |
| b | 5.7673 ± 0.0005 Å |
| c | 25.136 ± 0.002 Å |
| α | 90 ± 0.001° |
| β | 97.2075 ± 0.0011° |
| γ | 90 ± 0.001° |
| Cell volume | 1175.03 ± 0.17 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0244 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.183 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178504 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/60. |
4066033.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066033.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066033.cif |
| 33760 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066030, 4066031, 4066032, 4066033 via cif-deposit CGI script. |
4066033.cif |
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Users of the data should acknowledge the original authors of the
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