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Information card for entry 4313815
Preview
| Coordinates | 4313815.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [cy3SnCl] at 248K |
|---|---|
| Formula | C18 H33 Cl Sn |
| Calculated formula | C18 H33 Cl Sn |
| SMILES | C1(CCCCC1)[Sn](Cl)(C1CCCCC1)C1CCCCC1 |
| Title of publication | The Structure of Tri(cyclohexyl)tin Chloride between 108 and 298 K: A Compound in Which Molecular Dimensions Vary with Temperature |
| Authors of publication | Ashrafomolouk Asadi; Colin Eaborn; Peter B. Hitchcock; Margaret M. Meehan; J. David Smith |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4141 - 4146 |
| a | 10.623 ± 0.0004 Å |
| b | 17.0754 ± 0.0006 Å |
| c | 5.6281 ± 0.0002 Å |
| α | 90° |
| β | 108.487 ± 0.002° |
| γ | 90° |
| Cell volume | 968.21 ± 0.06 Å3 |
| Cell temperature | 248 ± 2 K |
| Ambient diffraction temperature | 248 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179204 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/38. |
4313815.cif |
| 171653 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 1, 2, 4. |
4313815.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313815.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313815.cif |
| 6885 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313815 via cif-deposit CGI script. |
4313815.cif |
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Users of the data should acknowledge the original authors of the
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