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Information card for entry 4328437
Preview
| Coordinates | 4328437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H26 S2 |
|---|---|
| Calculated formula | C36 H26 S2 |
| SMILES | S(Sc1c(cccc1c1ccccc1)c1ccccc1)c1c(cccc1c1ccccc1)c1ccccc1 |
| Title of publication | Oxido-Bridged Di-, Tri-, and Tetra-Nuclear Iron Complexes Bearing Bis(trimethylsilyl)amide and Thiolate Ligands |
| Authors of publication | Shun Ohta; Saori Yokozawa; Yasuhiro Ohki; Kazuyuki Tatsumi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 2645 - 2651 |
| a | 17.587 ± 0.003 Å |
| b | 13.356 ± 0.003 Å |
| c | 23.862 ± 0.005 Å |
| α | 90° |
| β | 103.347 ± 0.003° |
| γ | 90° |
| Cell volume | 5453.6 ± 1.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4328437.cif |
| 179387 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84. |
4328437.cif |
| 77403 | 2013-03-26 | cif/ Adding structures of 4328437 via cif-deposit CGI script. |
4328437.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.