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Information card for entry 4503063
Preview
| Coordinates | 4503063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetramethylsilane |
|---|---|
| Formula | C4 H12 Si |
| Calculated formula | C4 H12 Si |
| SMILES | C[Si](C)(C)C |
| Title of publication | The Interplay of Molecular Conformation and Crystal Packing in Pressure-Frozen Tetramethylsilane |
| Authors of publication | Gajda, Roman; Katrusiak, Andrzej |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 211 |
| a | 10.7328 ± 0.0013 Å |
| b | 10.7328 ± 0.0013 Å |
| c | 10.7328 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1236.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0576 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.381 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4503063.cif |
| 179561 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/30. |
4503063.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503063.cif |
| 41319 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503063 via cif-deposit CGI script. |
4503063.cif |
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Users of the data should acknowledge the original authors of the
structural data.