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Information card for entry 3500069
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| Coordinates | 3500069.cif |
|---|---|
| Structure factors | 3500069.hkl |
| Formula | C12 H32 Cl2 N2 O |
|---|---|
| Calculated formula | C12 H32 Cl2 N2 O |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2017 |
| a | 15.1054 ± 0.0008 Å |
| b | 5.0745 ± 0.0003 Å |
| c | 10.7172 ± 0.0006 Å |
| α | 90° |
| β | 91.721 ± 0.002° |
| γ | 90° |
| Cell volume | 821.13 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197525 (current) | 2017-06-05 | cif/ hkl/ Adding structures of 3500069 via cif-deposit CGI script. |
3500069.cif 3500069.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.