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Information card for entry 7203696
Preview
| Coordinates | 7203696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H42 N3 S6 Sb |
|---|---|
| Calculated formula | C45 H42 N3 S6 Sb |
| SMILES | [Sb]12(SC(=[S]1)N(Cc1ccccc1)Cc1ccccc1)(SC(=[S]2)N(Cc1ccccc1)Cc1ccccc1)SC(=S)N(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding |
| Authors of publication | Liu, Yu; Tiekink, Edward R. T. |
| Journal of publication | CrystEngComm |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 2 |
| Pages of publication | 20 |
| a | 9.8634 ± 0.0006 Å |
| b | 13.1293 ± 0.0007 Å |
| c | 17.145 ± 0.0009 Å |
| α | 93.689 ± 0.001° |
| β | 99.276 ± 0.001° |
| γ | 105.504 ± 0.001° |
| Cell volume | 2098 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180367 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36. |
7203696.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203696.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203696.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203696.cif |
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Users of the data should acknowledge the original authors of the
structural data.