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CIF Information Card
Information card for 7015637
7015636 << 7015637 >> 7015638Preview
|
Coordinates |
7015637.cif |
Structure parameters
| Formula | - C11 H12 N6 O - |
| Calculated formula | - C11 H12 N6 O - |
| Title of publication | Synthesis, characterization, crystal structure and preliminary reactivity behaviour of new heteropolytopic ligands based on the 1,3,5-triazine spacer and pyrazolyl, tris-pyrazolylmethyl and tris-pyrazolylethoxy bonding fragments. |
| Authors of publication | Di Nicola, C.; Garau, F.; Marchetti, F.; Monari, M.; Pandolfo, L.; Pettinari, C.; Venzo, A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 4941 - 4953 |
| a | 19.6841 ± 0.0011 Å |
| b | 11.6982 ± 0.0006 Å |
| c | 12.5672 ± 0.0007 Å |
| α | 90° |
| β | 125.612 ± 0.001° |
| γ | 90° |
| Cell volume | 2352.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.048 |
| Residual factor for observed reflections | 0.0441 |
| Weighted residual factors for the observed reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1229 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |