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Information card for entry 7222399
Preview
| Coordinates | 7222399.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Methyl-triphenyl-germane |
|---|---|
| Chemical name | Methyltriphenyl germanium |
| Formula | C19 H18 Ge |
| Calculated formula | C19 H18 Ge |
| SMILES | c1(ccccc1)[Ge](c1ccccc1)(c1ccccc1)C |
| Title of publication | A quantum mechanical alternative to the Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids. |
| Authors of publication | Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 43 |
| Pages of publication | 28866 - 28878 |
| a | 18.5689 ± 0.0002 Å |
| b | 9.5521 ± 0.0001 Å |
| c | 18.3723 ± 0.0002 Å |
| α | 90° |
| β | 107.433 ± 0.001° |
| γ | 90° |
| Cell volume | 3109.05 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0743 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222399.cif |
| 171367 | 2015-12-09 | cif/ Updating files of 7222399 Original log message: Adding full bibliography for 7222399.cif. |
7222399.cif |
| 159538 | 2015-10-02 | cif/ Adding structures of 7222399 via cif-deposit CGI script. |
7222399.cif |
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Users of the data should acknowledge the original authors of the
structural data.