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Information card for entry 3500091
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| Coordinates | 3500091.cif |
|---|---|
| Structure factors | 3500091.hkl |
| Common name | 'benzoic acid 3,5-dicarboxylate ethylenediammonium' |
|---|---|
| Formula | C11 H14 N2 O6 |
| Calculated formula | C11 H14 N2 O6 |
| Title of publication | benzoic acid 3,5-dicarboxylate ethylenediammonium |
| Authors of publication | Thierry Maris |
| Journal of publication | Personal communication to COD |
| Year of publication | 2020 |
| a | 16.9583 ± 0.0006 Å |
| b | 6.7846 ± 0.0002 Å |
| c | 20.6053 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2370.75 ± 0.14 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| 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 |
|---|---|---|---|
| 246676 (current) | 2020-01-11 | cif/ hkl/ Adding structures of 3500091 via cif-deposit CGI script. |
3500091.cif 3500091.hkl |
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