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Information card for entry 3500092
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| Coordinates | 3500092.cif |
|---|---|
| Structure factors | 3500092.hkl |
| Common name | benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide' |
|---|---|
| Formula | C17 H26 N4 O9 S |
| Calculated formula | C17 H26 N4 O9 S |
| Title of publication | benzoic acid 3,5-dicarboxylate N-N'-bis(2-Ammonioethyl)oxamide dimethylsulfoxide' |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 9.7597 ± 0.0003 Å |
| b | 16.5287 ± 0.0004 Å |
| c | 13.0405 ± 0.0003 Å |
| α | 90° |
| β | 97.776 ± 0.001° |
| γ | 90° |
| Cell volume | 2084.29 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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 |
|---|---|---|---|
| 246677 (current) | 2020-01-11 | cif/ hkl/ Adding structures of 3500092 via cif-deposit CGI script. |
3500092.cif 3500092.hkl |
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Users of the data should acknowledge the original authors of the
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