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Information card for entry 2009081
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| Coordinates | 2009081.cif |
|---|---|
| Structure factors | 2009081.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-trimethylgermylethyl p-nitrobenzoate |
|---|---|
| Formula | C12 H17 Ge N O4 |
| Calculated formula | C12 H17 Ge N O4 |
| SMILES | [Ge](CCOC(=O)c1ccc(N(=O)=O)cc1)(C)(C)C |
| Title of publication | Trimethylgermylethyl <i>p</i>-nitrobenzoate |
| Authors of publication | White, Jonathan M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1660 - 1662 |
| a | 12.67 ± 0.002 Å |
| b | 7.368 ± 0.001 Å |
| c | 29.704 ± 0.005 Å |
| α | 90° |
| β | 96.92 ± 0.01° |
| γ | 90° |
| Cell volume | 2752.7 ± 0.7 Å3 |
| Cell temperature | 130 ± 0.1 K |
| Ambient diffraction temperature | 130 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections | 0.085 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Goodness-of-fit parameter for all reflections | 0.977 |
| Goodness-of-fit parameter for significantly intense reflections | 0.992 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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