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Information card for entry 2008525
Preview
| Coordinates | 2008525.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C2 H10 N4 O6 S |
|---|---|
| Calculated formula | C2 H10 N4 O6 S |
| SMILES | S(=O)(=O)([O-])[O-].OC(=[NH2+])N.OC(=[NH2+])N |
| Title of publication | Uronium sulfate, [OHC(NH~2~)~2~]~2~(SO~4~) |
| Authors of publication | Chen, Tianlang; Xiao, Shenxiu; Zhong, Boyu; Stern, Charlotte L.; Ellis, Donald E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 6 |
| Pages of publication | 994 - 996 |
| a | 10.594 ± 0.002 Å |
| b | 7.461 ± 0.004 Å |
| c | 22.92 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1811.6 ± 1.1 Å3 |
| Cell temperature | 153.2 K |
| Ambient diffraction temperature | 153.2 K |
| Number of distinct elements | 5 |
| 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for all reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.034 |
| Goodness-of-fit parameter for all reflections | 2.217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.44 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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