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CIF Information Card
Information card for 1100988
1100987 << 1100988 >> 1100989Preview
|
Coordinates |
1100988.cif |
Structure parameters
| Chemical name | 5,7-dimethyl-1,2,4-triazolo-[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate. |
| Formula | - C14 H20 Cl4 Co N8 O - |
| Calculated formula | - C14 H20 Cl4 Co N8 O - |
| Title of publication | 5,7-Dimethyl-1,2,4-triazolo-[1,5-a]pyrimidinium tetrachlorocobaltate(II) monohydrate. |
| Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; M. Purificación Sánchez |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Pages of publication | m1721 - m1723 |
| a | 7.6369 ± 0.0004 Å |
| b | 8.519 ± 0.0004 Å |
| c | 18.2777 ± 0.0009 Å |
| α | 84.952 ± 0.001° |
| β | 84.505 ± 0.001° |
| γ | 65.275 ± 0.001° |
| Cell volume | 1073.64 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.037 |
| Residual factor for observed reflections | 0.031 |
| Weighted residual factors for the observed reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for observed reflections | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Dublicate of | 2206828 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |