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Information card for entry 2011241
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| Coordinates | 2011241.cif |
|---|---|
| Structure factors | 2011241.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2-dimethyl-1,3-propanediammonium chromate |
|---|---|
| Formula | C5 H16 Cr N2 O4 |
| Calculated formula | C5 H16 Cr N2 O4 |
| SMILES | [Cr]([O-])([O-])(=O)=O.[NH3+]CC(C[NH3+])(C)C |
| Title of publication | Chromate de 2,2-diméthylpropylènediammonium |
| Authors of publication | Chebbi, Hammouda; Hajem, Amen Allah; Driss, Ahmed |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | e333 - e334 |
| a | 9.082 ± 0.001 Å |
| b | 9.789 ± 0.002 Å |
| c | 5.741 ± 0.008 Å |
| α | 104.92 ± 0.01° |
| β | 93.2 ± 0.01° |
| γ | 109.06 ± 0.01° |
| Cell volume | 460.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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