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Information card for entry 2240779
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| Coordinates | 2240779.cif |
|---|---|
| Structure factors | 2240779.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(Trimethylgermyl)benzoic acid |
|---|---|
| Formula | C10 H14 Ge O2 |
| Calculated formula | C10 H14 Ge O2 |
| SMILES | [Ge](c1ccc(C(=O)O)cc1)(C)(C)C |
| Title of publication | Crystal structure of 4-(trimethylgermyl)benzoic acid |
| Authors of publication | Knauer, Lena; Barth, Eva R.; Golz, Christopher; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 687 - 689 |
| a | 6.356 ± 0.0004 Å |
| b | 12.3927 ± 0.0006 Å |
| c | 14.2084 ± 0.0007 Å |
| α | 96.348 ± 0.004° |
| β | 92.846 ± 0.004° |
| γ | 93.246 ± 0.004° |
| Cell volume | 1108.76 ± 0.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240779.cif 2240779.hkl |
| 137311 | 2015-05-24 | cif/ hkl/ Adding structures of 2240779 via cif-deposit CGI script. |
2240779.cif 2240779.hkl |
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public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.