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Information card for entry 4308862
Preview
| Coordinates | 4308862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Hg N2 O2 S2 |
|---|---|
| Calculated formula | C28 H24 Hg N2 O2 S2 |
| SMILES | S(c1ccccc1C(=O)NCc1ccccc1)[Hg]Sc1ccccc1C(=O)NCc1ccccc1 |
| Title of publication | Relation between Intramolecular NH...S Hydrogen Bonds and Coordination Number in Mercury(II) Complexes with Carbamoylbenzenethiol Derivatives |
| Authors of publication | Masahiro Kato; Kazunori Kojima; Taka-aki Okamura; Hitoshi Yamamoto; Takeshi Yamamura; Norikazu Ueyama |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4037 - 4044 |
| a | 4.696 ± 0.0013 Å |
| b | 11.8346 ± 0.0018 Å |
| c | 12.327 ± 0.002 Å |
| α | 103.389 ± 0.013° |
| β | 100.939 ± 0.018° |
| γ | 92.295 ± 0.017° |
| Cell volume | 651.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1286 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0597 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.952 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179126 (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 4/30/88. |
4308862.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308862.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308862.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). |
4308862.cif |
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Users of the data should acknowledge the original authors of the
structural data.