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Information card for entry 7202278
Preview
| Coordinates | 7202278.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dimethyl(pyruvic-thiosemicarbazonate)tin(IV) THF solvate |
|---|---|
| Formula | C10 H19 N3 O3 S Sn |
| Calculated formula | C10 H19 N3 O3 S Sn |
| Title of publication | Self-assembly of dialkyltin(IV) moieties and a thiosemicarbone to a trinuclear macrocycle and the unprecedented formation of two pseudo-polymorphs with different cavities |
| Authors of publication | Kovala-Demertzi, Dimitra; Wiecek, Joanna; Plakatouras, John C.; Ciunik, Zbigniew |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 1291 |
| a | 18.2141 ± 0.0005 Å |
| b | 18.2141 ± 0.0005 Å |
| c | 7.6303 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2192.24 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0259 |
| Weighted residual factors for significantly intense reflections | 0.0529 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180353 (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 7/20/22. |
7202278.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202278.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202278.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202278.cif |
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Users of the data should acknowledge the original authors of the
structural data.