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Information card for entry 4510563
Preview
| Coordinates | 4510563.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hexaphenyldisilane |
|---|---|
| Chemical name | Hexaphenyldisilane |
| Formula | C36 H30 Si2 |
| Calculated formula | C36 H30 Si2 |
| SMILES | [Si](c1ccccc1)(c1ccccc1)(c1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties |
| Authors of publication | Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2937 |
| a | 20.2889 ± 0.0008 Å |
| b | 16.9602 ± 0.0007 Å |
| c | 8.5506 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2942.3 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor R(I) for significantly intense reflections | 1.505 |
| Goodness-of-fit parameter for all reflections | 2.233 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.7 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193997 (current) | 2017-03-06 | cif/ (antanas@echidna.ibt.lt) Removing the '_space_group' data item in entries 1543495, 4510563, 7040827, 7209130, 7220329, 8104524, 8104525 since it was not found in the core CIF dictionary and the same information was already provided in the official space group data items. No information was lost by removing this data item. |
4510563.cif |
| 179652 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510563.cif |
| 119074 | 2014-07-05 | cif/ Updating files of 4510563 Original log message: Adding full bibliography for 4510563.cif. |
4510563.cif |
| 112485 | 2014-05-02 | cif/ Adding structures of 4510563 via cif-deposit CGI script. |
4510563.cif |
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