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CIF Information Card
Information card for 7015706
7015705 << 7015706 >> 7015707Preview
|
Coordinates |
7015706.cif |
Structure parameters
| Formula | - C16 H17 Mn N4 O5 - |
| Calculated formula | - C16 H17 Mn N4 O5 - |
| Title of publication | Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters. |
| Authors of publication | Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4678 - 4686 |
| a | 8.2964 ± 0.0006 Å |
| b | 9.653 ± 0.0003 Å |
| c | 11.393 Å |
| α | 105.882 ± 0.004° |
| β | 99.171 ± 0.006° |
| γ | 104.865 ± 0.003° |
| Cell volume | 821.94 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0596 |
| Residual factor for observed reflections | 0.0353 |
| Weighted residual factors for the observed reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for observed reflections | 1.022 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |