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Information card for entry 4309978
Preview
| Coordinates | 4309978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | Phligand |
|---|---|
| Formula | C30 H22 S4 |
| Calculated formula | C30 H22 S4 |
| SMILES | c1ccccc1Sc1ccccc1Sc1ccccc1Sc1ccccc1Sc1ccccc1 |
| 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 | 7.5404 ± 0.001 Å |
| b | 10.4513 ± 0.0016 Å |
| c | 16.759 ± 0.003 Å |
| α | 88.513 ± 0.006° |
| β | 78.037 ± 0.005° |
| γ | 71.784 ± 0.004° |
| Cell volume | 1226.2 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0754 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309978.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4309978.cif |
| 179137 | 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. |
4309978.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309978.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309978.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). |
4309978.cif |
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Users of the data should acknowledge the original authors of the
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