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CIF Information Card
Information card for 1500013
1500012 << 1500013 >> 1500014Preview
|
Coordinates |
1500013.cif |
Structure parameters
| Formula | - C22 H20 Cl2 Cu N10 O10 - |
| Calculated formula | - C22 H20 Cl2 Cu N10 O10 - |
| Title of publication | Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative |
| Authors of publication | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas |
| Journal of publication | Polyhedron |
| Year of publication | 2008 |
| Journal volume | 27 |
| Pages of publication | 2779 - 2784 |
| a | 9.5677 ± 0.0005 Å |
| b | 12.4114 ± 0.0006 Å |
| c | 13.3517 ± 0.0006 Å |
| α | 75.465 ± 0.001° |
| β | 71.674 ± 0.001° |
| γ | 78.059 ± 0.001° |
| Cell volume | 1442.71 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0321 |
| Residual factor for observed reflections | 0.0306 |
| Weighted residual factors for the observed reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0826 |
| Goodness-of-fit parameter for observed reflections | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |