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Information card for entry 2011985
Preview
| Coordinates | 2011985.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Aqua-[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycyl- glycinato]potassium |
|---|---|
| Formula | C9 H13 K N6 O6 |
| Calculated formula | C9 H13 K N6 O6 |
| Title of publication | [<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinato]aquapotassium, a three-dimensional coordination polymer |
| Authors of publication | Low, John N.; Arranz, Paloma; Cobo, Justo; Fontecha, M. Angeles; Godino, M. Luz; López, Rafael; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 534 - 537 |
| a | 7.444 ± 0.0004 Å |
| b | 7.4642 ± 0.0004 Å |
| c | 13.5136 ± 0.0006 Å |
| α | 80.3701 ± 0.0017° |
| β | 76.0568 ± 0.0018° |
| γ | 68.6413 ± 0.0014° |
| Cell volume | 676.06 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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